BDBM50196548 CHEMBL231881::N-(4-chlorobenzyl)-1-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-6-((R)-tetrahydrofuran-2-ylamino)-9H-purin-2-yl)-1H-pyrazole-4-carboxamide

SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCCO3)nc(nc12)-n1cc(cn1)C(=O)NCc1ccc(Cl)cc1

InChI Key: InChIKey=OHRYHPLEBPUQQU-BNCYDMKUSA-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 = 50196548   

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))	BDBM50196548 (CHEMBL231881 | N-(4-chlorobenzyl)-1-(9-((2R,3R,4S,...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCCO3)nc(nc12)-n1cc(cn1)C(=O)NCc1ccc(Cl)cc1 Show InChI InChI=1S/C25H27ClN8O6/c26-15-5-3-13(4-6-15)8-27-23(38)14-9-29-34(10-14)25-31-21(30-17-2-1-7-39-17)18-22(32-25)33(12-28-18)24-20(37)19(36)16(11-35)40-24/h3-6,9-10,12,16-17,19-20,24,35-37H,1-2,7-8,11H2,(H,27,38)(H,30,31,32)/t16-,17-,19-,20-,24-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	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 A1 (Homo sapiens (Human))	BDBM50196548 (CHEMBL231881 | N-(4-chlorobenzyl)-1-(9-((2R,3R,4S,...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCCO3)nc(nc12)-n1cc(cn1)C(=O)NCc1ccc(Cl)cc1 Show InChI InChI=1S/C25H27ClN8O6/c26-15-5-3-13(4-6-15)8-27-23(38)14-9-29-34(10-14)25-31-21(30-17-2-1-7-39-17)18-22(32-25)33(12-28-18)24-20(37)19(36)16(11-35)40-24/h3-6,9-10,12,16-17,19-20,24,35-37H,1-2,7-8,11H2,(H,27,38)(H,30,31,32)/t16-,17-,19-,20-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	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 A2a (Homo sapiens (Human))	BDBM50196548 (CHEMBL231881 | N-(4-chlorobenzyl)-1-(9-((2R,3R,4S,...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCCO3)nc(nc12)-n1cc(cn1)C(=O)NCc1ccc(Cl)cc1 Show InChI InChI=1S/C25H27ClN8O6/c26-15-5-3-13(4-6-15)8-27-23(38)14-9-29-34(10-14)25-31-21(30-17-2-1-7-39-17)18-22(32-25)33(12-28-18)24-20(37)19(36)16(11-35)40-24/h3-6,9-10,12,16-17,19-20,24,35-37H,1-2,7-8,11H2,(H,27,38)(H,30,31,32)/t16-,17-,19-,20-,24-/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	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))	BDBM50196548 (CHEMBL231881 | N-(4-chlorobenzyl)-1-(9-((2R,3R,4S,...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCCO3)nc(nc12)-n1cc(cn1)C(=O)NCc1ccc(Cl)cc1 Show InChI InChI=1S/C25H27ClN8O6/c26-15-5-3-13(4-6-15)8-27-23(38)14-9-29-34(10-14)25-31-21(30-17-2-1-7-39-17)18-22(32-25)33(12-28-18)24-20(37)19(36)16(11-35)40-24/h3-6,9-10,12,16-17,19-20,24,35-37H,1-2,7-8,11H2,(H,27,38)(H,30,31,32)/t16-,17-,19-,20-,24-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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