BDBM50085673 (2R,3R,4S,5R)-2-[2-Cyclopentylamino-6-(2,2-diphenyl-ethylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL131175

SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NC3CCCC3)nc12

InChI Key: InChIKey=BEWLOOLKMOTCKY-ZYWWQZICSA-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 = 50085673   

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 A2a (Homo sapiens (Human))	BDBM50085673 ((2R,3R,4S,5R)-2-[2-Cyclopentylamino-6-(2,2-dipheny...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NC3CCCC3)nc12 Show InChI InChI=1S/C29H34N6O4/c36-16-22-24(37)25(38)28(39-22)35-17-31-23-26(33-29(34-27(23)35)32-20-13-7-8-14-20)30-15-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,17,20-22,24-25,28,36-38H,7-8,13-16H2,(H2,30,32,33,34)/t22-,24-,25-,28-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibition of human neutrophil activation via Adenosine A2A receptor.				Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K
					More data for this Ligand-Target Pair
Adenosine A1 receptor (GUINEA PIG)	BDBM50085673 ((2R,3R,4S,5R)-2-[2-Cyclopentylamino-6-(2,2-dipheny...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NC3CCCC3)nc12 Show InChI InChI=1S/C29H34N6O4/c36-16-22-24(37)25(38)28(39-22)35-17-31-23-26(33-29(34-27(23)35)32-20-13-7-8-14-20)30-15-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,17,20-22,24-25,28,36-38H,7-8,13-16H2,(H2,30,32,33,34)/t22-,24-,25-,28-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>612	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Ex vivo inhibition of guinea pig ileum twitch via Adenosine A1 receptor.				Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K
					More data for this Ligand-Target Pair