BDBM195576 cis-1-(3-(4-(2-morpholinopyrimidin-5-yl)phenyl)-1H-1,2,4-triazole-1-carbonyl)-2-phenylpiperidine-4-carboxylic acid (7)

SMILES: OC(=O)C1CCN(C(C1)c1ccccc1)C(=O)n1cnc(n1)-c1ccc(cc1)-c1cnc(nc1)N1CCOCC1

InChI Key: InChIKey=PYMNLIKHRFXDQC-UHFFFAOYSA-N

Data: 2 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 = 195576   

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
Acyl-CoA: cholesterol acyltransferase (ACAT) (Homo sapiens (Human))	BDBM195576 (cis-1-(3-(4-(2-morpholinopyrimidin-5-yl)phenyl)-1H...) Show SMILES OC(=O)C1CCN(C(C1)c1ccccc1)C(=O)n1cnc(n1)-c1ccc(cc1)-c1cnc(nc1)N1CCOCC1 Show InChI InChI=1S/C29H29N7O4/c37-27(38)23-10-11-35(25(16-23)21-4-2-1-3-5-21)29(39)36-19-32-26(33-36)22-8-6-20(7-9-22)24-17-30-28(31-18-24)34-12-14-40-15-13-34/h1-9,17-19,23,25H,10-16H2,(H,37,38)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+4	n/a	n/a	n/a	n/a	7.5	n/a
Pfizer Inc.					Assay Description For determination of IC50 values for CES1 inhibitors, the reactions were carried out in 1.5 mL microcentrifuge tubes in a total reaction volume of 25...				ACS Chem Biol 11: 2529-40 (2016) Article DOI: 10.1021/acschembio.6b00266 BindingDB Entry DOI: 10.7270/Q24X56K5
					More data for this Ligand-Target Pair
Lysophospholipase-like 1 (LYPLAL1) (Homo sapiens (Human))	BDBM195576 (cis-1-(3-(4-(2-morpholinopyrimidin-5-yl)phenyl)-1H...) Show SMILES OC(=O)C1CCN(C(C1)c1ccccc1)C(=O)n1cnc(n1)-c1ccc(cc1)-c1cnc(nc1)N1CCOCC1 Show InChI InChI=1S/C29H29N7O4/c37-27(38)23-10-11-35(25(16-23)21-4-2-1-3-5-21)29(39)36-19-32-26(33-36)22-8-6-20(7-9-22)24-17-30-28(31-18-24)34-12-14-40-15-13-34/h1-9,17-19,23,25H,10-16H2,(H,37,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	7.5	n/a
Pfizer Inc.					Assay Description For determination of IC50 values for LYPLAL1 inhibitors, the reactions were carried out in 1.5 mL microcentrifuge tubes in a total reaction volume of...				ACS Chem Biol 11: 2529-40 (2016) Article DOI: 10.1021/acschembio.6b00266 BindingDB Entry DOI: 10.7270/Q24X56K5
					More data for this Ligand-Target Pair