BDBM50371598 CHEMBL1162170

SMILES: Nc1ncnc2n(cnc12)[C@H]1O[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@@H]3OC(Cc4ccccc4)O[C@H]23)n2cnc3c(N)ncnc23)[C@H](O)[C@@H]1O

InChI Key: InChIKey=TUHUQVMSRSLGMP-QNXLZCDKSA-N

Data: 1 IC50  1 EC50

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 = 50371598   

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 P2Y2 (Homo sapiens (Human))	BDBM50371598 (CHEMBL1162170) Show SMILES Nc1ncnc2n(cnc12)[C@H]1O[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@@H]3OC(Cc4ccccc4)O[C@H]23)n2cnc3c(N)ncnc23)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C28H34N10O19P4/c29-23-17-25(33-9-31-23)37(11-35-17)27-20(40)19(39)14(51-27)7-49-58(41,42)55-60(45,46)57-61(47,48)56-59(43,44)50-8-15-21-22(54-16(53-21)6-13-4-2-1-3-5-13)28(52-15)38-12-36-18-24(30)32-10-34-26(18)38/h1-5,9-12,14-16,19-22,27-28,39-40H,6-8H2,(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H2,29,31,33)(H2,30,32,34)/t14-,15+,16?,19-,20-,21+,22+,27-,28+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	52	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at P2Y2 receptor expressed in human 1321 cells by calcium mobilization assay				J Med Chem 51: 1007-25 (2008) Article DOI: 10.1021/jm701348d BindingDB Entry DOI: 10.7270/Q2P55PB6
					More data for this Ligand-Target Pair
Purinergic receptor P2Y12 (Homo sapiens (Human))	BDBM50371598 (CHEMBL1162170) Show SMILES Nc1ncnc2n(cnc12)[C@H]1O[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@@H]3OC(Cc4ccccc4)O[C@H]23)n2cnc3c(N)ncnc23)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C28H34N10O19P4/c29-23-17-25(33-9-31-23)37(11-35-17)27-20(40)19(39)14(51-27)7-49-58(41,42)55-60(45,46)57-61(47,48)56-59(43,44)50-8-15-21-22(54-16(53-21)6-13-4-2-1-3-5-13)28(52-15)38-12-36-18-24(30)32-10-34-26(18)38/h1-5,9-12,14-16,19-22,27-28,39-40H,6-8H2,(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H2,29,31,33)(H2,30,32,34)/t14-,15+,16?,19-,20-,21+,22+,27-,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay				J Med Chem 51: 1007-25 (2008) Article DOI: 10.1021/jm701348d BindingDB Entry DOI: 10.7270/Q2P55PB6
					More data for this Ligand-Target Pair