BDBM50445877 CHEMBL3105681

SMILES CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2nc(c(s2)C(=O)c3ccccc3Cl)c4cccc(c4)Cl

InChI Key InChIKey=GRWNPFJXINLSNF-UHFFFAOYSA-N

Data  1 KI  14 IC50  4 EC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50445877   

TargetNuclear receptor ROR-gamma(Mouse)
Genentech

Curated by ChEMBL
LigandPNGBDBM50445877(CHEMBL3105681)
Affinity DataEC50:  158nMAssay Description:Activity at RoRc in mouse CD4+ T cells assessed as inhibition of IL-17 productionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/20/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNuclear receptor ROR-gamma(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50445877(CHEMBL3105681)
Affinity DataIC50: 180nMAssay Description:Inverse agonist activity at RORgammat in human TH17 cells assessed as inhibition of IL17 release incubated for 4 days by HTRF assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNuclear receptor ROR-gamma(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50445877(CHEMBL3105681)
Affinity DataIC50: 9nMAssay Description:Displacement of [3H]-2-(4-(ethylsulfonyl)phenyl)-N-(4-(2-(methoxymethyl)phenyl)thiophen-2-yl)acetamide from purified N-(HN)6-GST-TCS-human RORgammat ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNuclear receptor ROR-gamma(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50445877(CHEMBL3105681)
Affinity DataIC50: 22nMAssay Description:Inverse agonist activity at biotinylated HN-Avi-MBP-TCS-human RORgammat (258 to 518 residues) assessed as inhibition of biotinylated SRC-1 peptide NC...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNuclear receptor ROR-gamma(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50445877(CHEMBL3105681)
Affinity DataIC50: 80nMAssay Description:Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/9/2018
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetRetinoic acid receptor gamma(Human)
Galderma R & D

Curated by ChEMBL
LigandPNGBDBM50445877(CHEMBL3105681)
Affinity DataIC50: 1.00E+4nMAssay Description:Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/9/2018
Entry Details Article
PubMed
TargetNuclear receptor ROR-gamma(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50445877(CHEMBL3105681)
Affinity DataIC50: 16nMAssay Description:Inhibition of APC-labeled RORgammat receptor ligand binding domain (unknown origin) after 1 hr by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNuclear receptor ROR-gamma(Mouse)
Genentech

Curated by ChEMBL
LigandPNGBDBM50445877(CHEMBL3105681)
Affinity DataIC50: 200nMAssay Description:Inhibition of RORgammat receptor ligand binding domain in mouse spleen CD4+ T cells assessed as inhibition of IL-17 production after 3 days by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNuclear receptor ROR-gamma(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50445877(CHEMBL3105681)
Affinity DataEC50:  10nMAssay Description:Activity at human RoRc in human Jurkat cells assessed as inhibition of IL-17 promoterMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/20/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNuclear receptor ROR-gamma(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50445877(CHEMBL3105681)
Affinity DataIC50: 20nMAssay Description:Inverse agonist activity at human recombinant N-terminally 6xHis-tagged RORgamma ligand binding domain (unknown origin) expressed in Escherichia coli...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/11/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNuclear receptor ROR-gamma(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50445877(CHEMBL3105681)
Affinity DataEC50:  8nMAssay Description:Inverse agonist activity at human RoRc-LBD fusion protein with GST expressed in BL-21 (BL3) cells assessed as SRC1 coactivator peptide recruitmentMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/20/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNuclear receptor subfamily 1 group I member 2(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50445877(CHEMBL3105681)
Affinity DataEC50:  260nMAssay Description:Agonist activity at human pregnane X receptor expressed in HEK293 cells by luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/11/2016
Entry Details Article
PubMed
TargetNuclear receptor ROR-beta(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50445877(CHEMBL3105681)
Affinity DataIC50: 63nMAssay Description:Inverse agonist activity at RORbeta (unknown origin) by M1H assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/11/2016
Entry Details Article
PubMed
TargetNuclear receptor ROR-alpha(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50445877(CHEMBL3105681)
Affinity DataIC50: 5.01E+3nMAssay Description:Inverse agonist activity at RORalpha (unknown origin) by M1H assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/11/2016
Entry Details Article
PubMed
TargetNuclear receptor ROR-gamma(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50445877(CHEMBL3105681)
Affinity DataIC50: 7.90nMAssay Description:Inverse agonist activity at RORgammaT (unknown origin) by M1H assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/11/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNuclear receptor ROR-beta(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50445877(CHEMBL3105681)
Affinity DataIC50: 79.4nMAssay Description:Inverse agonist activity at recombinant N-terminally GST-tagged RORbeta ligand binding domain (unknown origin) expressed in Escherichia coli incubate...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/11/2016
Entry Details Article
PubMed
TargetNuclear receptor ROR-beta(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50445877(CHEMBL3105681)
Affinity DataIC50: 79nMAssay Description:Inverse agonist activity at recombinant N-terminally GST-tagged RORbeta ligand binding domain (unknown origin) expressed in Escherichia coli incubate...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/11/2016
Entry Details Article
PubMed
TargetNuclear receptor ROR-gamma(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50445877(CHEMBL3105681)
Affinity DataIC50: 10nMAssay Description:Inverse agonist activity at RORgammaT (unknown origin) by Jurkat cell based luciferase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/11/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNuclear receptor ROR-gamma(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50445877(CHEMBL3105681)
Affinity DataKi:  40nMAssay Description:Displacement of 25-[26,27-3H]hydroxycholesterol from RORgammat receptor ligand binding domain (unknown origin) after 60 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)