Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50045367   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
2-acylglycerol O-acyltransferase 2 (Homo sapiens (Human))	BDBM50058840 (CHEMBL3325734) Show SMILES Cl.CS(=O)(=O)N[C@@H](c1ccc(CNC[C@H]2COc3cccnc3O2)cc1)C(F)(F)F |r| Show InChI InChI=1S/C18H20F3N3O4S.ClH/c1-29(25,26)24-16(18(19,20)21)13-6-4-12(5-7-13)9-22-10-14-11-27-15-3-2-8-23-17(15)28-14;/h2-8,14,16,22,24H,9-11H2,1H3;1H/t14-,16-;/m0./s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of human MoGAT-2 expressed in human Caco2 cells assessed as inhibition of 2-O-Hexadecylglycerol hydrolysis pretreated for 30 mins by LC-MS...				ACS Med Chem Lett 5: 840-1 (2014) Article DOI: 10.1021/ml500217g BindingDB Entry DOI: 10.7270/Q2BZ67QZ
					More data for this Ligand-Target Pair
2-acylglycerol O-acyltransferase 2 (Homo sapiens (Human))	BDBM50058842 (CHEMBL3325736) Show SMILES Cl.C[C@@H](NS(C)(=O)=O)c1ccc(CNC2CCN(C2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C20H27N3O2S.ClH/c1-16(22-26(2,24)25)18-10-8-17(9-11-18)14-21-19-12-13-23(15-19)20-6-4-3-5-7-20;/h3-11,16,19,21-22H,12-15H2,1-2H3;1H/t16-,19?;/m1./s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of human MoGAT-2 expressed in human Caco2 cells assessed as inhibition of 2-O-Hexadecylglycerol hydrolysis pretreated for 30 mins by LC-MS...				ACS Med Chem Lett 5: 840-1 (2014) Article DOI: 10.1021/ml500217g BindingDB Entry DOI: 10.7270/Q2BZ67QZ
					More data for this Ligand-Target Pair
2-acylglycerol O-acyltransferase 2 (Homo sapiens (Human))	BDBM50058843 (CHEMBL3325737) Show SMILES Cl.C[C@@H](NS(C)(=O)=O)c1ccc(CNC[C@@H]2CO[C@H](CO2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C21H28N2O4S.ClH/c1-16(23-28(2,24)25)18-10-8-17(9-11-18)12-22-13-20-14-27-21(15-26-20)19-6-4-3-5-7-19;/h3-11,16,20-23H,12-15H2,1-2H3;1H/t16-,20-,21-;/m1./s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	294	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of human MoGAT-2 expressed in human Caco2 cells assessed as inhibition of 2-O-Hexadecylglycerol hydrolysis pretreated for 30 mins by LC-MS...				ACS Med Chem Lett 5: 840-1 (2014) Article DOI: 10.1021/ml500217g BindingDB Entry DOI: 10.7270/Q2BZ67QZ
					More data for this Ligand-Target Pair
2-acylglycerol O-acyltransferase 2 (Homo sapiens (Human))	BDBM50058841 (CHEMBL3325735) Show SMILES Cl.C[C@@H](NS(C)(=O)=O)c1ccc(CNCC2COc3ccccc3N2)cc1 |r| Show InChI InChI=1S/C19H25N3O3S.ClH/c1-14(22-26(2,23)24)16-9-7-15(8-10-16)11-20-12-17-13-25-19-6-4-3-5-18(19)21-17;/h3-10,14,17,20-22H,11-13H2,1-2H3;1H/t14-,17?;/m1./s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	479	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of human MoGAT-2 expressed in human Caco2 cells assessed as inhibition of 2-O-Hexadecylglycerol hydrolysis pretreated for 30 mins by LC-MS...				ACS Med Chem Lett 5: 840-1 (2014) Article DOI: 10.1021/ml500217g BindingDB Entry DOI: 10.7270/Q2BZ67QZ
					More data for this Ligand-Target Pair