BDBM50215406 (1'R,2'S,4'S,5'S)-4-(2-ethynyl-6-methylaminopurin-9-yl)-1-[(phosphato)-methyl]-2-(phosphato)-bicyclo[3.1.0]hexane::CHEMBL390149

SMILES: CNc1nc(nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12)C#C

InChI Key: InChIKey=JVOQZLLPAUDWBN-HTQGBYLWSA-N

Data: 1 KI  2 IC50

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 = 50215406   

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
Purinergic receptor P2Y1 (Homo sapiens (Human))	BDBM50215406 ((1'R,2'S,4'S,5'S)-4-(2-ethynyl-6-methylaminopurin-...) Show SMILES CNc1nc(nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12)C#C Show InChI InChI=1S/C15H19N5O8P2/c1-3-11-18-13(16-2)12-14(19-11)20(7-17-12)9-4-10(28-30(24,25)26)15(5-8(9)15)6-27-29(21,22)23/h1,7-10H,4-6H2,2H3,(H,16,18,19)(H2,21,22,23)(H2,24,25,26)/t8-,9+,10+,15+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]MRS2270 from human P2Y1 receptor expressed in Sf9 cells				J Med Chem 50: 3229-41 (2007) Article DOI: 10.1021/jm0700971 BindingDB Entry DOI: 10.7270/Q2BK1C2D
					More data for this Ligand-Target Pair
Purinergic receptor P2Y1 (Homo sapiens (Human))	BDBM50215406 ((1'R,2'S,4'S,5'S)-4-(2-ethynyl-6-methylaminopurin-...) Show SMILES CNc1nc(nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12)C#C Show InChI InChI=1S/C15H19N5O8P2/c1-3-11-18-13(16-2)12-14(19-11)20(7-17-12)9-4-10(28-30(24,25)26)15(5-8(9)15)6-27-29(21,22)23/h1,7-10H,4-6H2,2H3,(H,16,18,19)(H2,21,22,23)(H2,24,25,26)/t8-,9+,10+,15+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Antagonist activity at human P2Y1 receptor expressed in 1321N1 cells assessed as inhibition of 2-MeS-ADP-stimulated PLC activity				J Med Chem 50: 3229-41 (2007) Article DOI: 10.1021/jm0700971 BindingDB Entry DOI: 10.7270/Q2BK1C2D
					More data for this Ligand-Target Pair
Purinergic receptor P2Y1 (Homo sapiens (Human))	BDBM50215406 ((1'R,2'S,4'S,5'S)-4-(2-ethynyl-6-methylaminopurin-...) Show SMILES CNc1nc(nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12)C#C Show InChI InChI=1S/C15H19N5O8P2/c1-3-11-18-13(16-2)12-14(19-11)20(7-17-12)9-4-10(28-30(24,25)26)15(5-8(9)15)6-27-29(21,22)23/h1,7-10H,4-6H2,2H3,(H,16,18,19)(H2,21,22,23)(H2,24,25,26)/t8-,9+,10+,15+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Antagonist activity at human P2Y1 receptor expressed in 1321N1 cells assessed as inhibition of 2-MeSADP-induced inositol phosphate formation				J Med Chem 50: 3229-41 (2007) Article DOI: 10.1021/jm0700971 BindingDB Entry DOI: 10.7270/Q2BK1C2D
					More data for this Ligand-Target Pair