BDBM50302636 (S)-4-(6-(4-(2-(dimethylamino)-2-oxoethyl)piperazin-1-yl)-2-phenylpyrimidine-4-carboxamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid::CHEMBL570045

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

InChI Key: InChIKey=SZHRAPQCBRBOHP-SANMLTNESA-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 = 50302636   

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))	BDBM50302636 ((S)-4-(6-(4-(2-(dimethylamino)-2-oxoethyl)piperazi...) Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCN(CC(=O)N(C)C)CC1 |r| Show InChI InChI=1S/C34H48N8O7/c1-4-5-9-22-49-34(48)42-20-18-41(19-21-42)33(47)26(12-13-30(44)45)36-32(46)27-23-28(37-31(35-27)25-10-7-6-8-11-25)40-16-14-39(15-17-40)24-29(43)38(2)3/h6-8,10-11,23,26H,4-5,9,12-22,24H2,1-3H3,(H,36,46)(H,44,45)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	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))	BDBM50302636 ((S)-4-(6-(4-(2-(dimethylamino)-2-oxoethyl)piperazi...) Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCN(CC(=O)N(C)C)CC1 |r| Show InChI InChI=1S/C34H48N8O7/c1-4-5-9-22-49-34(48)42-20-18-41(19-21-42)33(47)26(12-13-30(44)45)36-32(46)27-23-28(37-31(35-27)25-10-7-6-8-11-25)40-16-14-39(15-17-40)24-29(43)38(2)3/h6-8,10-11,23,26H,4-5,9,12-22,24H2,1-3H3,(H,36,46)(H,44,45)/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	530	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