BDBM50196556 1-(6-(cyclopentylamino)-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-9H-purin-2-yl)-1H-pyrazole-4-carboxylic acid::CHEMBL232670

SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(nc12)-n1cc(cn1)C(O)=O

InChI Key: InChIKey=KQNIKZQXSHVQCH-LSCFUAHRSA-N

Data: 4 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 4 hits for monomerid = 50196556   

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))	BDBM50196556 (1-(6-(cyclopentylamino)-9-((2R,3R,4S,5R)-3,4-dihyd...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(nc12)-n1cc(cn1)C(O)=O Show InChI InChI=1S/C19H23N7O6/c27-7-11-13(28)14(29)17(32-11)25-8-20-12-15(22-10-3-1-2-4-10)23-19(24-16(12)25)26-6-9(5-21-26)18(30)31/h5-6,8,10-11,13-14,17,27-29H,1-4,7H2,(H,30,31)(H,22,23,24)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]CPX from adenosine A1 receptor in DDT membranes				Bioorg Med Chem Lett 17: 161-6 (2006) Article DOI: 10.1016/j.bmcl.2006.09.065 BindingDB Entry DOI: 10.7270/Q2KK9BDP
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50196556 (1-(6-(cyclopentylamino)-9-((2R,3R,4S,5R)-3,4-dihyd...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(nc12)-n1cc(cn1)C(O)=O Show InChI InChI=1S/C19H23N7O6/c27-7-11-13(28)14(29)17(32-11)25-8-20-12-15(22-10-3-1-2-4-10)23-19(24-16(12)25)26-6-9(5-21-26)18(30)31/h5-6,8,10-11,13-14,17,27-29H,1-4,7H2,(H,30,31)(H,22,23,24)/t11-,13-,14-,17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [125I]ABMECA from adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 161-6 (2006) Article DOI: 10.1016/j.bmcl.2006.09.065 BindingDB Entry DOI: 10.7270/Q2KK9BDP
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50196556 (1-(6-(cyclopentylamino)-9-((2R,3R,4S,5R)-3,4-dihyd...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(nc12)-n1cc(cn1)C(O)=O Show InChI InChI=1S/C19H23N7O6/c27-7-11-13(28)14(29)17(32-11)25-8-20-12-15(22-10-3-1-2-4-10)23-19(24-16(12)25)26-6-9(5-21-26)18(30)31/h5-6,8,10-11,13-14,17,27-29H,1-4,7H2,(H,30,31)(H,22,23,24)/t11-,13-,14-,17-/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 Patents Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from A2A adenosine A2A receptor expressed in HEK cells				Bioorg Med Chem Lett 17: 161-6 (2006) Article DOI: 10.1016/j.bmcl.2006.09.065 BindingDB Entry DOI: 10.7270/Q2KK9BDP
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50196556 (1-(6-(cyclopentylamino)-9-((2R,3R,4S,5R)-3,4-dihyd...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(nc12)-n1cc(cn1)C(O)=O Show InChI InChI=1S/C19H23N7O6/c27-7-11-13(28)14(29)17(32-11)25-8-20-12-15(22-10-3-1-2-4-10)23-19(24-16(12)25)26-6-9(5-21-26)18(30)31/h5-6,8,10-11,13-14,17,27-29H,1-4,7H2,(H,30,31)(H,22,23,24)/t11-,13-,14-,17-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from adenosine A2B receptor expressed in HEK cells				Bioorg Med Chem Lett 17: 161-6 (2006) Article DOI: 10.1016/j.bmcl.2006.09.065 BindingDB Entry DOI: 10.7270/Q2KK9BDP
					More data for this Ligand-Target Pair