null

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

InChI Key: InChIKey=XUWSMMRMXJEUHY-SANMLTNESA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50302727   

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))	BDBM50302727 ((S)-4-(6-(4-((methylamino)methyl)piperidin-1-yl)-2...) Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CNC)CC1 |r| Show InChI InChI=1S/C33H47N7O6/c1-3-4-8-21-46-33(45)40-19-17-39(18-20-40)32(44)26(11-12-29(41)42)36-31(43)27-22-28(38-15-13-24(14-16-38)23-34-2)37-30(35-27)25-9-6-5-7-10-25/h5-7,9-10,22,24,26,34H,3-4,8,11-21,23H2,1-2H3,(H,36,43)(H,41,42)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	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))	BDBM50302727 ((S)-4-(6-(4-((methylamino)methyl)piperidin-1-yl)-2...) Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CNC)CC1 |r| Show InChI InChI=1S/C33H47N7O6/c1-3-4-8-21-46-33(45)40-19-17-39(18-20-40)32(44)26(11-12-29(41)42)36-31(43)27-22-28(38-15-13-24(14-16-38)23-34-2)37-30(35-27)25-9-6-5-7-10-25/h5-7,9-10,22,24,26,34H,3-4,8,11-21,23H2,1-2H3,(H,36,43)(H,41,42)/t26-/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	740	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