BDBM50196572 1-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-6-((R)-tetrahydrofuran-2-ylamino)-9H-purin-2-yl)-N-ethyl-1H-pyrazole-4-carboxamide::CHEMBL232100

SMILES: CCNC(=O)c1cnn(c1)-c1nc(N[C@H]2CCCO2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1

InChI Key: InChIKey=DAAJKUPTRGODPS-FSVZYJJUSA-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 = 50196572   

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))	BDBM50196572 (1-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl...) Show SMILES CCNC(=O)c1cnn(c1)-c1nc(N[C@H]2CCCO2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C20H26N8O6/c1-2-21-18(32)10-6-23-28(7-10)20-25-16(24-12-4-3-5-33-12)13-17(26-20)27(9-22-13)19-15(31)14(30)11(8-29)34-19/h6-7,9,11-12,14-15,19,29-31H,2-5,8H2,1H3,(H,21,32)(H,24,25,26)/t11-,12-,14-,15-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	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))	BDBM50196572 (1-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl...) Show SMILES CCNC(=O)c1cnn(c1)-c1nc(N[C@H]2CCCO2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C20H26N8O6/c1-2-21-18(32)10-6-23-28(7-10)20-25-16(24-12-4-3-5-33-12)13-17(26-20)27(9-22-13)19-15(31)14(30)11(8-29)34-19/h6-7,9,11-12,14-15,19,29-31H,2-5,8H2,1H3,(H,21,32)(H,24,25,26)/t11-,12-,14-,15-,19-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	132	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))	BDBM50196572 (1-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl...) Show SMILES CCNC(=O)c1cnn(c1)-c1nc(N[C@H]2CCCO2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C20H26N8O6/c1-2-21-18(32)10-6-23-28(7-10)20-25-16(24-12-4-3-5-33-12)13-17(26-20)27(9-22-13)19-15(31)14(30)11(8-29)34-19/h6-7,9,11-12,14-15,19,29-31H,2-5,8H2,1H3,(H,21,32)(H,24,25,26)/t11-,12-,14-,15-,19-/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	1.41E+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))	BDBM50196572 (1-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl...) Show SMILES CCNC(=O)c1cnn(c1)-c1nc(N[C@H]2CCCO2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C20H26N8O6/c1-2-21-18(32)10-6-23-28(7-10)20-25-16(24-12-4-3-5-33-12)13-17(26-20)27(9-22-13)19-15(31)14(30)11(8-29)34-19/h6-7,9,11-12,14-15,19,29-31H,2-5,8H2,1H3,(H,21,32)(H,24,25,26)/t11-,12-,14-,15-,19-/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