BDBM50067089 CHEMBL72897::N-(3-Pyridin-2-yl-isoquinolin-1-yl)-benzamidine

SMILES: NC(=Nc1nc(cc2ccccc12)-c1ccccn1)c1ccccc1

InChI Key: InChIKey=KGSHAJBYUHHTJW-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50067089   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50067089 (CHEMBL72897 | N-(3-Pyridin-2-yl-isoquinolin-1-yl)-...) Show SMILES NC(=Nc1nc(cc2ccccc12)-c1ccccn1)c1ccccc1 |w:2.2| Show InChI InChI=1S/C21H16N4/c22-20(15-8-2-1-3-9-15)25-21-17-11-5-4-10-16(17)14-19(24-21)18-12-6-7-13-23-18/h1-14H,(H2,22,24,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Binding affinity of the compound was determined by its ability to displace [125I]-AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells				J Med Chem 43: 2227-38 (2000) BindingDB Entry DOI: 10.7270/Q2T72GNJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50067089 (CHEMBL72897 | N-(3-Pyridin-2-yl-isoquinolin-1-yl)-...) Show SMILES NC(=Nc1nc(cc2ccccc12)-c1ccccn1)c1ccccc1 |w:2.2| Show InChI InChI=1S/C21H16N4/c22-20(15-8-2-1-3-9-15)25-21-17-11-5-4-10-16(17)14-19(24-21)18-12-6-7-13-23-18/h1-14H,(H2,22,24,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK 293 cells.				J Med Chem 41: 3987-93 (1998) Article DOI: 10.1021/jm980036q BindingDB Entry DOI: 10.7270/Q2D21WR1
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50067089 (CHEMBL72897 | N-(3-Pyridin-2-yl-isoquinolin-1-yl)-...) Show SMILES NC(=Nc1nc(cc2ccccc12)-c1ccccn1)c1ccccc1 |w:2.2| Show InChI InChI=1S/C21H16N4/c22-20(15-8-2-1-3-9-15)25-21-17-11-5-4-10-16(17)14-19(24-21)18-12-6-7-13-23-18/h1-14H,(H2,22,24,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Tested for antagonist activity by displacement of specific [125I]-AB-MECA binding at human Adenosine A3 receptor expressed in HEK 293 cells.				J Med Chem 41: 3994-4000 (1998) Article DOI: 10.1021/jm980037i BindingDB Entry DOI: 10.7270/Q2891513
					More data for this Ligand-Target Pair