BDBM50306932 (S)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)-4-(6-phenyl-4-(4-(pyrrolidine-1-carbonyl)piperidin-1-yl)picolinamido)pentanoic acid::CHEMBL601907

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

InChI Key: InChIKey=ALLHEJMQIBVNHN-PMERELPUSA-N

Data: 2 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 3 hits for monomerid = 50306932   

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))	BDBM50306932 ((S)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)-...) Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CC1)C(=O)N1CCCC1 |r| Show InChI InChI=1S/C37H50N6O7/c1-2-3-9-24-50-37(49)43-22-20-42(21-23-43)36(48)30(12-13-33(44)45)39-34(46)32-26-29(25-31(38-32)27-10-5-4-6-11-27)40-18-14-28(15-19-40)35(47)41-16-7-8-17-41/h4-6,10-11,25-26,28,30H,2-3,7-9,12-24H2,1H3,(H,39,46)(H,44,45)/t30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	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
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50306932 ((S)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)-...) Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CC1)C(=O)N1CCCC1 |r| Show InChI InChI=1S/C37H50N6O7/c1-2-3-9-24-50-37(49)43-22-20-42(21-23-43)36(48)30(12-13-33(44)45)39-34(46)32-26-29(25-31(38-32)27-10-5-4-6-11-27)40-18-14-28(15-19-40)35(47)41-16-7-8-17-41/h4-6,10-11,25-26,28,30H,2-3,7-9,12-24H2,1H3,(H,39,46)(H,44,45)/t30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.70	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 in presence of 0.4% human serum albumin				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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50306932 ((S)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)-...) Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CC1)C(=O)N1CCCC1 |r| Show InChI InChI=1S/C37H50N6O7/c1-2-3-9-24-50-37(49)43-22-20-42(21-23-43)36(48)30(12-13-33(44)45)39-34(46)32-26-29(25-31(38-32)27-10-5-4-6-11-27)40-18-14-28(15-19-40)35(47)41-16-7-8-17-41/h4-6,10-11,25-26,28,30H,2-3,7-9,12-24H2,1H3,(H,39,46)(H,44,45)/t30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Inhibition of human ERG				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