BDBM50196011 3-(2-chlorobenzyl)-N-cyclopentyl-5-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine::CHEMBL389856

SMILES: Clc1ccccc1Cn1nnc2c(NC3CCCC3)nc(nc12)-c1ccccc1

InChI Key: InChIKey=VGQLZQWORBSWLP-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50196011   

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 A1 receptor (BOVINE)	BDBM50196011 (3-(2-chlorobenzyl)-N-cyclopentyl-5-phenyl-3H-[1,2,...) Show SMILES Clc1ccccc1Cn1nnc2c(NC3CCCC3)nc(nc12)-c1ccccc1 Show InChI InChI=1S/C22H21ClN6/c23-18-13-7-4-10-16(18)14-29-22-19(27-28-29)21(24-17-11-5-6-12-17)25-20(26-22)15-8-2-1-3-9-15/h1-4,7-10,13,17H,5-6,11-12,14H2,(H,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor				Eur J Med Chem 42: 1-9 (2007) Article DOI: 10.1016/j.ejmech.2006.08.014 BindingDB Entry DOI: 10.7270/Q28C9VW9
					More data for this Ligand-Target Pair
Adenosine A1 receptor (BOVINE)	BDBM50196011 (3-(2-chlorobenzyl)-N-cyclopentyl-5-phenyl-3H-[1,2,...) Show SMILES Clc1ccccc1Cn1nnc2c(NC3CCCC3)nc(nc12)-c1ccccc1 Show InChI InChI=1S/C22H21ClN6/c23-18-13-7-4-10-16(18)14-29-22-19(27-28-29)21(24-17-11-5-6-12-17)25-20(26-22)15-8-2-1-3-9-15/h1-4,7-10,13,17H,5-6,11-12,14H2,(H,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Binding affinity to bovine adenosine A1 receptor				Eur J Med Chem 43: 114-21 (2008) Article DOI: 10.1016/j.ejmech.2007.02.009 BindingDB Entry DOI: 10.7270/Q2WW7JWK
					More data for this Ligand-Target Pair