BDBM50302630 (S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-5-oxo-4-(2-phenyl-6-(4-(pyrrolidin-1-yl)piperidin-1-yl)pyrimidine-4-carboxamido)pentanoic acid::CHEMBL570064

SMILES: CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC1)N1CCCC1

InChI Key: InChIKey=BBCGEWDMWBJDLG-MHZLTWQESA-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 = 50302630   

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))	BDBM50302630 ((S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-5-oxo-4-(...) Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC1)N1CCCC1 |r| Show InChI InChI=1S/C34H47N7O6/c1-2-3-23-47-34(46)41-21-19-40(20-22-41)33(45)27(11-12-30(42)43)36-32(44)28-24-29(37-31(35-28)25-9-5-4-6-10-25)39-17-13-26(14-18-39)38-15-7-8-16-38/h4-6,9-10,24,26-27H,2-3,7-8,11-23H2,1H3,(H,36,44)(H,42,43)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	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))	BDBM50302630 ((S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-5-oxo-4-(...) Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC1)N1CCCC1 |r| Show InChI InChI=1S/C34H47N7O6/c1-2-3-23-47-34(46)41-21-19-40(20-22-41)33(45)27(11-12-30(42)43)36-32(44)28-24-29(37-31(35-28)25-9-5-4-6-10-25)39-17-13-26(14-18-39)38-15-7-8-16-38/h4-6,9-10,24,26-27H,2-3,7-8,11-23H2,1H3,(H,36,44)(H,42,43)/t27-/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	660	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