BDBM50302686 (S)-4-(6-(4-(2-(diethylamino)-2-oxoethyl)piperidin-1-yl)-2-phenylpyrimidine-4-carboxamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid::CHEMBL570238

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

InChI Key: InChIKey=VCFCRKRHMWQJRT-LJAQVGFWSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50302686   

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 P2Y12 (Homo sapiens (Human))	BDBM50302686 ((S)-4-(6-(4-(2-(diethylamino)-2-oxoethyl)piperidin...) Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC(=O)N(CC)CC)CC1 |r| Show InChI InChI=1S/C37H53N7O7/c1-4-7-11-24-51-37(50)44-22-20-43(21-23-44)36(49)29(14-15-33(46)47)39-35(48)30-26-31(40-34(38-30)28-12-9-8-10-13-28)42-18-16-27(17-19-42)25-32(45)41(5-2)6-3/h8-10,12-13,26-27,29H,4-7,11,14-25H2,1-3H3,(H,39,48)(H,46,47)/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	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
Purinergic receptor P2Y12 (Homo sapiens (Human))	BDBM50302686 ((S)-4-(6-(4-(2-(diethylamino)-2-oxoethyl)piperidin...) Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC(=O)N(CC)CC)CC1 |r| Show InChI InChI=1S/C37H53N7O7/c1-4-7-11-24-51-37(50)44-22-20-43(21-23-44)36(49)29(14-15-33(46)47)39-35(48)30-26-31(40-34(38-30)28-12-9-8-10-13-28)42-18-16-27(17-19-42)25-32(45)41(5-2)6-3/h8-10,12-13,26-27,29H,4-7,11,14-25H2,1-3H3,(H,39,48)(H,46,47)/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	2.60E+3	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