BDBM50307011 (4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-4-{[(4-{4-[(methylamino)ethyl]piperidin-1-yl}-6-phenylpyridin-2-yl)carbonyl]amino}-5-oxopentanoic Acid::(S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-4-(4-(4-((methylamino)methyl)piperidin-1-yl)-6-phenylpicolinamido)-5-oxopentanoic acid::CHEMBL589518

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

InChI Key: InChIKey=KQIGSADDMXCJMD-MHZLTWQESA-N

Data: 2 KI

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 = 50307011   

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))	BDBM50307011 ((4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-4-{[(4-{4...) Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CNC)CC1 |r| Show InChI InChI=1S/C33H46N6O6/c1-3-4-20-45-33(44)39-18-16-38(17-19-39)32(43)27(10-11-30(40)41)36-31(42)29-22-26(37-14-12-24(13-15-37)23-34-2)21-28(35-29)25-8-6-5-7-9-25/h5-9,21-22,24,27,34H,3-4,10-20,23H2,1-2H3,(H,36,42)(H,40,41)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Inhibition of human P2Y12 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1388-94 (2010) Article DOI: 10.1016/j.bmcl.2009.12.110 BindingDB Entry DOI: 10.7270/Q2ZP467B
					More data for this Ligand-Target Pair
Purinergic receptor P2Y12 (Homo sapiens (Human))	BDBM50307011 ((4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-4-{[(4-{4...) Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CNC)CC1 |r| Show InChI InChI=1S/C33H46N6O6/c1-3-4-20-45-33(44)39-18-16-38(17-19-39)32(43)27(10-11-30(40)41)36-31(42)29-22-26(37-14-12-24(13-15-37)23-34-2)21-28(35-29)25-8-6-5-7-9-25/h5-9,21-22,24,27,34H,3-4,10-20,23H2,1-2H3,(H,36,42)(H,40,41)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells				J Med Chem 53: 2010-37 (2010) Article DOI: 10.1021/jm901518t BindingDB Entry DOI: 10.7270/Q2HH6K50
					More data for this Ligand-Target Pair