BDBM50205286 8-cyclopentyl-2,6-diphenyl-1-deazapurin::CHEMBL219625::LUF-5816

SMILES: C1CCC(C1)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1

InChI Key: InChIKey=LEUPSQCQJOFTFI-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 = 50205286   

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 A1 (Homo sapiens (Human))	BDBM50205286 (8-cyclopentyl-2,6-diphenyl-1-deazapurin | CHEMBL21...) Show SMILES C1CCC(C1)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C23H21N3/c1-3-9-16(10-4-1)19-15-20(17-11-5-2-6-12-17)24-23-21(19)25-22(26-23)18-13-7-8-14-18/h1-6,9-12,15,18H,7-8,13-14H2,(H,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 50: 828-34 (2007) Article DOI: 10.1021/jm0607956 BindingDB Entry DOI: 10.7270/Q2VX0G65
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205286 (8-cyclopentyl-2,6-diphenyl-1-deazapurin | CHEMBL21...) Show SMILES C1CCC(C1)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C23H21N3/c1-3-9-16(10-4-1)19-15-20(17-11-5-2-6-12-17)24-23-21(19)25-22(26-23)18-13-7-8-14-18/h1-6,9-12,15,18H,7-8,13-14H2,(H,24,25,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells				J Med Chem 50: 828-34 (2007) Article DOI: 10.1021/jm0607956 BindingDB Entry DOI: 10.7270/Q2VX0G65
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50205286 (8-cyclopentyl-2,6-diphenyl-1-deazapurin | CHEMBL21...) Show SMILES C1CCC(C1)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C23H21N3/c1-3-9-16(10-4-1)19-15-20(17-11-5-2-6-12-17)24-23-21(19)25-22(26-23)18-13-7-8-14-18/h1-6,9-12,15,18H,7-8,13-14H2,(H,24,25,26)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [3H]MRS1754 from human adenosine A2B receptor				J Med Chem 50: 828-34 (2007) Article DOI: 10.1021/jm0607956 BindingDB Entry DOI: 10.7270/Q2VX0G65
					More data for this Ligand-Target Pair