BDBM99471 US8497274, 32

SMILES c1cc(cc(c1)C(F)(F)F)CC(=O)Nc2cc(ccc2F)Oc3ccc4c(c3C#N)sc(n4)NC(=O)C5CC5

InChI Key InChIKey=OJFKUJDRGJSAQB-UHFFFAOYSA-N

Data  27 IC50  9 Kd

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 36 hits for monomerid = 99471   

TargetReceptor-interacting serine/threonine-protein kinase 3(Human)
Ningxia Medical University

Curated by ChEMBL
LigandPNGBDBM99471(US8497274, 32)
Affinity DataKd:  105nMAssay Description:Inhibition of human wild type RIPK3 (M1 to Q307) expressed in bacterial system by kinomescan assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2022
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase B-raf(Human)
University of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM99471(US8497274, 32)
Affinity DataIC50: 3.20nMAssay Description:Inhibition of N-terminal 6x-His-tagged BRAF kinase domain (unknown origin) expressed in baculovirus infected Sf9 insect cells co-expressing mouse p50...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSerine/threonine-protein kinase B-raf(Human)
University of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM99471(US8497274, 32)
Affinity DataIC50: 4.5nMAssay Description:Inhibition of N-terminal 6x-His-tagged BRAF V600E mutant (unknown origin) expressed in baculovirus infected Sf9 insect cells co-expressing mouse p50c...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSerine/threonine-protein kinase B-raf(Human)
University of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM99471(US8497274, 32)
Affinity DataIC50: 8nMAssay Description:Inhibition of recombinant human full length GST-tagged BRAF expressed in baculovirus expression systemMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPirin(Human)
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM99471(US8497274, 32)
Affinity DataIC50: 1.00E+4nMAssay Description:Displacement of 6-amino-9-(2-((4-((2-((6-((5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamido)-2-methylphenyl)carbamoyl)quinolin-2-yl)oxy)ethyl)amino)-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase B-raf(Human)
University of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM99471(US8497274, 32)
Affinity DataIC50: 2nMAssay Description:Inhibition of recombinant human GST-tagged BRAF V600E mutant expressed in baculovirus expression systemMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetReceptor-interacting serine/threonine-protein kinase 1(Human)
Ningxia Medical University

Curated by ChEMBL
LigandPNGBDBM99471(US8497274, 32)
Affinity DataKd:  480nMAssay Description:Binding affinity to wild-type human partial length RIPK1 (M1 to K305 residues) expressed in bacterial expression system after 1 hr by quantitative PC...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetReceptor-interacting serine/threonine-protein kinase 3(Human)
Ningxia Medical University

Curated by ChEMBL
LigandPNGBDBM99471(US8497274, 32)
Affinity DataKd:  105nMAssay Description:Binding affinity to wild-type human partial length RIPK3 (M1 to Q307 residues) expressed in bacterial expression system after 1 hr by quantitative PC...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetReceptor-interacting serine/threonine-protein kinase 1(Human)
Ningxia Medical University

Curated by ChEMBL
LigandPNGBDBM99471(US8497274, 32)
Affinity DataKd:  480nMAssay Description:Inhibition of human wild type RIPK1 (M1 to K305) expressed in bacterial system by kinomescan assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2022
Entry Details Article
PubMed
TargetHeat shock factor protein 1(Human)
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM99471(US8497274, 32)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/9/2019
Entry Details Article
PubMed
TargetReceptor-interacting serine/threonine-protein kinase 3(Human)
Ningxia Medical University

Curated by ChEMBL
LigandPNGBDBM99471(US8497274, 32)
Affinity DataKd:  326nMAssay Description:Binding affinity to human wild type partial length RIPK3 (M1/Q307) expressed in bacterial expression system assessed as dissociation constant by bioc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2024
Entry Details
PubMed
TargetReceptor-interacting serine/threonine-protein kinase 3(Human)
Ningxia Medical University

Curated by ChEMBL
LigandPNGBDBM99471(US8497274, 32)
Affinity DataIC50: 90nMAssay Description:Inhibition of human RIPK3 using MBP as substrate by [gamma33-ATP] based radiometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2024
Entry Details
PubMed
TargetReceptor-interacting serine/threonine-protein kinase 1(Human)
Ningxia Medical University

Curated by ChEMBL
LigandPNGBDBM99471(US8497274, 32)
Affinity DataKd:  480nMAssay Description:Binding affinity to human wild type partial length RIPK1 (M1/Q307) expressed in bacterial expression system assessed as dissociation constant by bioc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2024
Entry Details
PubMed
TargetReceptor-interacting serine/threonine-protein kinase 1(Human)
Ningxia Medical University

Curated by ChEMBL
LigandPNGBDBM99471(US8497274, 32)
Affinity DataKd:  105nMAssay Description:Binding affinity to RIPK1 (unknown origin) by ADP-GlO assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2024
Entry Details
PubMed
TargetSerine/threonine-protein kinase B-raf(Human)
University of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM99471(US8497274, 32)
Affinity DataIC50: 2.40nMAssay Description:Inhibition of B-Raf V600E mutant (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetSerine/threonine-protein kinase B-raf(Human)
University of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM99471(US8497274, 32)
Affinity DataIC50: 8.30nMAssay Description:Inhibition of human full length wild type B-RafMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetReceptor-interacting serine/threonine-protein kinase 1(Human)
Ningxia Medical University

Curated by ChEMBL
LigandPNGBDBM99471(US8497274, 32)
Affinity DataKd:  480nMAssay Description:Binding affinity to recombinant RIPK1 (unknown origin) assessed as dissociation constant incubated for 1 hr by KINOMEscanTM assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2024
Entry Details
PubMed
TargetReceptor-interacting serine/threonine-protein kinase 3(Human)
Ningxia Medical University

Curated by ChEMBL
LigandPNGBDBM99471(US8497274, 32)
Affinity DataKd:  105nMAssay Description:Binding affinity to recombinant RIPK3 (unknown origin) assessed as dissociation constant incubated for 1 hr by KINOMEscanTM assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2024
Entry Details
PubMed
TargetSerine/threonine-protein kinase Chk1(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM99471(US8497274, 32)
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of CHK1 (unknown origin) using alpha-casein as substrate after 20 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2014
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase B-raf(Human)
University of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM99471(US8497274, 32)
Affinity DataIC50: 77nMAssay Description:Inhibition of recombinant wild type full length human GST-tagged B-Raf expressed in baculovirus expression system using Z'-LYTE Ser/Thr3 peptide as s...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSerine/threonine-protein kinase B-raf(Human)
University of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM99471(US8497274, 32)
Affinity DataIC50: 15nMAssay Description:Inhibition of recombinant human N-terminal GST-tagged B-Raf V600E mutant expressed in baculovirus expression system using Z'-LYTE Ser/Thr3 peptide as...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetMitogen-activated protein kinase kinase kinase 1(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM99471(US8497274, 32)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of C-terminal FLAG-tagged MEKK1 (unknown origin) expressed in baculovirus system using MBP as substrate after 60 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2014
Entry Details Article
PubMed
TargetAurora kinase B(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM99471(US8497274, 32)
Affinity DataIC50: 66nMAssay Description:Inhibition of N-terminal His-6-tagged Aurora kinase B (unknown origin) expressed in baculovirus system after 60 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2014
Entry Details Article
PubMed
TargetCyclin-A2/Cyclin-dependent kinase 2(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM99471(US8497274, 32)
Affinity DataIC50: 580nMAssay Description:Inhibition of CDK2/CycA (unknown origin) using histone H1 as substrate after 20 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2014
Entry Details Article
PubMed
TargetCyclin-dependent kinase/G2/mitotic-specific cyclin- 1(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM99471(US8497274, 32)
Affinity DataIC50: 790nMAssay Description:Inhibition of CDK1/CycB (unknown origin) using histone H1 as substrate after 20 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2014
Entry Details Article
PubMed
TargetMitogen-activated protein kinase 3(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM99471(US8497274, 32)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of C-terminal FLAG-tagged ERK1 expressed in baculovirus system (unknown origin) using MBP as substrate after 60 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2014
Entry Details Article
PubMed
TargetCasein kinase I isoform delta(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM99471(US8497274, 32)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CK1delta (unknown origin) using CK1tide as substrate after 20 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2014
Entry Details Article
PubMed
TargetDual specificity mitogen-activated protein kinase kinase 1(Human)
Takeda Pharmaceutical

US Patent
LigandPNGBDBM99471(US8497274, 32)
Affinity DataIC50: 300nMAssay Description:MEK phosphorylation inhibition activity.More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/10/2013
Entry Details
Go to US Patent

TargetInhibitor of nuclear factor kappa-B kinase subunit beta(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM99471(US8497274, 32)
Affinity DataIC50: 3.70E+3nMAssay Description:Inhibition of C-terminal FLAG-tagged IKK beta (unknown origin) expressed in baculovirus system using IkappaBalpha as substrate after 40 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2014
Entry Details Article
PubMed
TargetInsulin receptor(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM99471(US8497274, 32)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of Insulin receptor (unknown origin) using biotinylated poly-Glu-Tyr (4:1) as substrate preincubated for 5 mins measured after 12 hrsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2014
Entry Details Article
PubMed
TargetHepatocyte growth factor receptor(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM99471(US8497274, 32)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of c-Met receptor (unknown origin) using biotinylated poly-Glu-Tyr (4:1) as substrate preincubated for 5 mins measured after 12 hrsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2014
Entry Details Article
PubMed
TargetEpidermal growth factor receptor(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM99471(US8497274, 32)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of N-terminal peptide (DYKDDDD)-tagged EGFR (unknown origin) expressed in baculovirus system using biotinylated poly-Glu-Tyr (4:1) as subs...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2014
Entry Details Article
PubMed
TargetPlatelet-derived growth factor subunit B(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM99471(US8497274, 32)
Affinity DataIC50: 120nMAssay Description:Inhibition of PDGFR beta (unknown origin) using biotinylated poly-Glu-Tyr (4:1) as substrate preincubated for 5 mins measured after 12 hrsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2014
Entry Details Article
PubMed
TargetPlatelet-derived growth factor subunit A(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM99471(US8497274, 32)
Affinity DataIC50: 610nMAssay Description:Inhibition of PDGFR alpha (unknown origin) using biotinylated poly-Glu-Tyr (4:1) as substrate preincubated for 5 mins measured after 12 hrsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2014
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase B-raf(Human)
University of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM99471(US8497274, 32)
Affinity DataIC50: 8.30nMAssay Description:Inhibition of N-terminal FLAG-tagged wild type BRAF (unknown origin) expressed in baculovirus system using GST-MEK1(K96R) as substrate after 20 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHeat shock factor protein 1(Human)
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM99471(US8497274, 32)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/9/2019
Entry Details Article
PubMed