null

SMILES: CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CN2CCCC2)CC1

InChI Key: InChIKey=NIUQYBATAMSSIJ-LJAQVGFWSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50302722   

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
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302722 ((S)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)-...) Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CN2CCCC2)CC1 |r| Show InChI InChI=1S/C36H51N7O6/c1-2-3-9-24-49-36(48)43-22-20-42(21-23-43)35(47)29(12-13-32(44)45)38-34(46)30-25-31(39-33(37-30)28-10-5-4-6-11-28)41-18-14-27(15-19-41)26-40-16-7-8-17-40/h4-6,10-11,25,27,29H,2-3,7-9,12-24,26H2,1H3,(H,38,46)(H,44,45)/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay				Bioorg Med Chem Lett 19: 6148-56 (2009) Article DOI: 10.1016/j.bmcl.2009.09.017 BindingDB Entry DOI: 10.7270/Q2B27VCB
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302722 ((S)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)-...) Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CN2CCCC2)CC1 |r| Show InChI InChI=1S/C36H51N7O6/c1-2-3-9-24-49-36(48)43-22-20-42(21-23-43)35(47)29(12-13-32(44)45)38-34(46)30-25-31(39-33(37-30)28-10-5-4-6-11-28)41-18-14-27(15-19-41)26-40-16-7-8-17-40/h4-6,10-11,25,27,29H,2-3,7-9,12-24,26H2,1H3,(H,38,46)(H,44,45)/t29-/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	560	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation by light transmission ...				Bioorg Med Chem Lett 19: 6148-56 (2009) Article DOI: 10.1016/j.bmcl.2009.09.017 BindingDB Entry DOI: 10.7270/Q2B27VCB
					More data for this Ligand-Target Pair