BDBM50583644 CHEMBL5080679

SMILES CCCn1c(=O)c2[nH]c(C34CC5CC(CC(C5)C3)C4)nc2n(CCCNC(=O)c2ccc(C(=O)NCCNC(=O)CCNC(=O)CCCCCNC(=O)COc3ccc(/C=C/C4=[N+]5C(=Cc6ccc(-c7cccs7)n6[B-]5(F)F)C=C4)cc3)cc2)c1=O

InChI Key InChIKey=FITGZTYFRGZHAG-UHFFFAOYSA-N

Data  4 KI  5 Kd

  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 9 hits for monomerid = 50583644   

TargetAdenosine receptor A1(Human)
Monash University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583644BDBM50583644(CHEMBL5080679)
Affinity DataKi:  1.40nMAssay Description:Binding affinity to NanoLuc human A1 adenosine receptor expressed in HEK293-A cells in prescence of SLV320 by NanoBRET competitive binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Monash University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583644BDBM50583644(CHEMBL5080679)
Affinity DataKd:  3.20nMAssay Description:Binding affinity to NLuc human A1 adenosine receptor expressed in HEK293-A cells in presence of 1 uM SLV320 by NanoBRET binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Monash University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583644BDBM50583644(CHEMBL5080679)
Affinity DataKi:  9.80nMAssay Description:Displacement of [3H]DPCPX from human A1 adenosine receptor expressed in Flp-In-CHO cells by radioligand competitive binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Monash University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583644BDBM50583644(CHEMBL5080679)
Affinity DataKd:  13nMAssay Description:Binding affinity to NanoLuc-human A1 adenosine receptor expressed in HEK293-A cells assessed as kinetic dissociation constant by NanoBRET competitive...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Monash University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583644BDBM50583644(CHEMBL5080679)
Affinity DataKi:  21nMAssay Description:Binding affinity to NanoLuc human A1 adenosine receptor expressed in HEK293-A cells in prescence of DPCPX by NanoBRET competitive binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Monash University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583644BDBM50583644(CHEMBL5080679)
Affinity DataKd:  50nMAssay Description:Binding affinity to NLuc human A2A adenosine receptor expressed in HEK293-A cells in presence of 1 uM ZM241385 by NanoBRET binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetAdenosine receptor A2b(Human)
Monash University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583644BDBM50583644(CHEMBL5080679)
Affinity DataKd:  55nMAssay Description:Binding affinity to NLuc human A2B adenosine receptor expressed in HEK293-A cells in presence of 1 uM PSB603 by NanoBRET binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
Monash University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583644BDBM50583644(CHEMBL5080679)
Affinity DataKd:  59nMAssay Description:Binding affinity to NLuc human A3 adenosine receptor expressed in HEK293-A cells in presence of 1 uM MRS1220 by NanoBRET binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Monash University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583644BDBM50583644(CHEMBL5080679)
Affinity DataKi:  1.10E+3nMAssay Description:Binding affinity to NanoLuc human A1 adenosine receptor expressed in HEK293-A cells in prescence of NECA by NanoBRET competitive binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed