Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50010752   

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
Microsomal triglyceride transfer protein large subunit (Homo sapiens (Human))	BDBM50098322 (9-(4-{5-Methyl-4-[(4'-trifluoromethyl-biphenyl-2-c...) Show SMILES Cc1ccc2n(CCCCC3(C(=O)NCC(F)(F)F)c4ccccc4-c4ccccc34)cnc2c1NC(=O)c1ccccc1-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C42H34F6N4O2/c1-26-16-21-35-37(36(26)51-38(53)32-13-3-2-10-29(32)27-17-19-28(20-18-27)42(46,47)48)50-25-52(35)23-9-8-22-40(39(54)49-24-41(43,44)45)33-14-6-4-11-30(33)31-12-5-7-15-34(31)40/h2-7,10-21,25H,8-9,22-24H2,1H3,(H,49,54)(H,51,53)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of human microsomal triglyceride transfer protein in HepG2 cells using apoB secretion assay				J Med Chem 44: 851-6 (2001) BindingDB Entry DOI: 10.7270/Q2N015S8
					More data for this Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit (Homo sapiens (Human))	BDBM50098321 (9-(4-{2,5-Dimethyl-4-[(4'-trifluoromethyl-biphenyl...) Show SMILES Cc1nc2c(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)c(C)ccc2n1CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc12 Show InChI InChI=1S/C43H36F6N4O2/c1-26-17-22-36-38(37(26)52-39(54)33-14-4-3-11-30(33)28-18-20-29(21-19-28)43(47,48)49)51-27(2)53(36)24-10-9-23-41(40(55)50-25-42(44,45)46)34-15-7-5-12-31(34)32-13-6-8-16-35(32)41/h3-8,11-22H,9-10,23-25H2,1-2H3,(H,50,55)(H,52,54)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of human microsomal triglyceride transfer protein in HepG2 cells using apoB secretion assay				J Med Chem 44: 851-6 (2001) BindingDB Entry DOI: 10.7270/Q2N015S8
					More data for this Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit (Homo sapiens (Human))	BDBM50098326 (9-(4-{2-Isopropyl-4-[(4'-trifluoromethyl-biphenyl-...) Show SMILES CC(C)c1nc2c(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)cccc2n1CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc12 Show InChI InChI=1S/C44H38F6N4O2/c1-27(2)39-53-38-36(52-40(55)33-15-4-3-12-30(33)28-20-22-29(23-21-28)44(48,49)50)18-11-19-37(38)54(39)25-10-9-24-42(41(56)51-26-43(45,46)47)34-16-7-5-13-31(34)32-14-6-8-17-35(32)42/h3-8,11-23,27H,9-10,24-26H2,1-2H3,(H,51,56)(H,52,55)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of human microsomal triglyceride transfer protein in HepG2 cells using apoB secretion assay				J Med Chem 44: 851-6 (2001) BindingDB Entry DOI: 10.7270/Q2N015S8
					More data for this Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit (Homo sapiens (Human))	BDBM50098324 (9-(4-{2-Methyl-4-[(4'-trifluoromethyl-biphenyl-2-c...) Show SMILES Cc1nc2c(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)cccc2n1CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc12 Show InChI InChI=1S/C42H34F6N4O2/c1-26-50-37-35(51-38(53)32-14-3-2-11-29(32)27-19-21-28(22-20-27)42(46,47)48)17-10-18-36(37)52(26)24-9-8-23-40(39(54)49-25-41(43,44)45)33-15-6-4-12-30(33)31-13-5-7-16-34(31)40/h2-7,10-22H,8-9,23-25H2,1H3,(H,49,54)(H,51,53)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of human microsomal triglyceride transfer protein in HepG2 cells using apoB secretion assay				J Med Chem 44: 851-6 (2001) BindingDB Entry DOI: 10.7270/Q2N015S8
					More data for this Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit (Homo sapiens (Human))	BDBM50098325 (9-(4-{4-[(4'-Trifluoromethyl-biphenyl-2-carbonyl)-...) Show SMILES FC(F)(F)CNC(=O)C1(CCCCn2cnc3c(NC(=O)c4ccccc4-c4ccc(cc4)C(F)(F)F)cccc23)c2ccccc2-c2ccccc12 Show InChI InChI=1S/C41H32F6N4O2/c42-40(43,44)24-48-38(53)39(32-14-5-3-11-29(32)30-12-4-6-15-33(30)39)22-7-8-23-51-25-49-36-34(16-9-17-35(36)51)50-37(52)31-13-2-1-10-28(31)26-18-20-27(21-19-26)41(45,46)47/h1-6,9-21,25H,7-8,22-24H2,(H,48,53)(H,50,52)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of human microsomal triglyceride transfer protein in HepG2 cells using apoB secretion assay				J Med Chem 44: 851-6 (2001) BindingDB Entry DOI: 10.7270/Q2N015S8
					More data for this Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit (Homo sapiens (Human))	BDBM50098320 (9-(4-{4-[(4''-Trifluoromethyl-biphenyl-2-carbonyl)...) Show SMILES FC(F)(F)CNC(=O)C1(CCCCN2CCC(CC2)NC(=O)c2ccccc2-c2ccc(cc2)C(F)(F)F)c2ccccc2-c2ccccc12 Show InChI InChI=1S/C39H37F6N3O2/c40-38(41,42)25-46-36(50)37(33-13-5-3-10-30(33)31-11-4-6-14-34(31)37)21-7-8-22-48-23-19-28(20-24-48)47-35(49)32-12-2-1-9-29(32)26-15-17-27(18-16-26)39(43,44)45/h1-6,9-18,28H,7-8,19-25H2,(H,46,50)(H,47,49)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of human microsomal triglyceride transfer protein in HepG2 cells using apoB secretion assay				J Med Chem 44: 851-6 (2001) BindingDB Entry DOI: 10.7270/Q2N015S8
					More data for this Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit (Homo sapiens (Human))	BDBM50098324 (9-(4-{2-Methyl-4-[(4'-trifluoromethyl-biphenyl-2-c...) Show SMILES Cc1nc2c(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)cccc2n1CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc12 Show InChI InChI=1S/C42H34F6N4O2/c1-26-50-37-35(51-38(53)32-14-3-2-11-29(32)27-19-21-28(22-20-27)42(46,47)48)17-10-18-36(37)52(26)24-9-8-23-40(39(54)49-25-41(43,44)45)33-15-6-4-12-30(33)31-13-5-7-16-34(31)40/h2-7,10-22H,8-9,23-25H2,1H3,(H,49,54)(H,51,53)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of human Microsomal Triglyceride Transfer Protein, (triglyceride transfer assay)				J Med Chem 44: 851-6 (2001) BindingDB Entry DOI: 10.7270/Q2N015S8
					More data for this Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit (Homo sapiens (Human))	BDBM50098322 (9-(4-{5-Methyl-4-[(4'-trifluoromethyl-biphenyl-2-c...) Show SMILES Cc1ccc2n(CCCCC3(C(=O)NCC(F)(F)F)c4ccccc4-c4ccccc34)cnc2c1NC(=O)c1ccccc1-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C42H34F6N4O2/c1-26-16-21-35-37(36(26)51-38(53)32-13-3-2-10-29(32)27-17-19-28(20-18-27)42(46,47)48)50-25-52(35)23-9-8-22-40(39(54)49-24-41(43,44)45)33-14-6-4-11-30(33)31-12-5-7-15-34(31)40/h2-7,10-21,25H,8-9,22-24H2,1H3,(H,49,54)(H,51,53)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of human Microsomal Triglyceride Transfer Protein, (triglyceride transfer assay)				J Med Chem 44: 851-6 (2001) BindingDB Entry DOI: 10.7270/Q2N015S8
					More data for this Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit (Homo sapiens (Human))	BDBM50098321 (9-(4-{2,5-Dimethyl-4-[(4'-trifluoromethyl-biphenyl...) Show SMILES Cc1nc2c(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)c(C)ccc2n1CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc12 Show InChI InChI=1S/C43H36F6N4O2/c1-26-17-22-36-38(37(26)52-39(54)33-14-4-3-11-30(33)28-18-20-29(21-19-28)43(47,48)49)51-27(2)53(36)24-10-9-23-41(40(55)50-25-42(44,45)46)34-15-7-5-12-31(34)32-13-6-8-16-35(32)41/h3-8,11-22H,9-10,23-25H2,1-2H3,(H,50,55)(H,52,54)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of human Microsomal Triglyceride Transfer Protein, (triglyceride transfer assay)				J Med Chem 44: 851-6 (2001) BindingDB Entry DOI: 10.7270/Q2N015S8
					More data for this Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit (Homo sapiens (Human))	BDBM50098323 (9-(4-{2-Propyl-4-[(4'-trifluoromethyl-biphenyl-2-c...) Show SMILES CCCc1nc2c(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)cccc2n1CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc12 Show InChI InChI=1S/C44H38F6N4O2/c1-2-12-38-53-39-36(52-40(55)33-16-4-3-13-30(33)28-21-23-29(24-22-28)44(48,49)50)19-11-20-37(39)54(38)26-10-9-25-42(41(56)51-27-43(45,46)47)34-17-7-5-14-31(34)32-15-6-8-18-35(32)42/h3-8,11,13-24H,2,9-10,12,25-27H2,1H3,(H,51,56)(H,52,55)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of human Microsomal Triglyceride Transfer Protein, (triglyceride transfer assay)				J Med Chem 44: 851-6 (2001) BindingDB Entry DOI: 10.7270/Q2N015S8
					More data for this Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit (Homo sapiens (Human))	BDBM50098326 (9-(4-{2-Isopropyl-4-[(4'-trifluoromethyl-biphenyl-...) Show SMILES CC(C)c1nc2c(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)cccc2n1CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc12 Show InChI InChI=1S/C44H38F6N4O2/c1-27(2)39-53-38-36(52-40(55)33-15-4-3-12-30(33)28-20-22-29(23-21-28)44(48,49)50)18-11-19-37(38)54(39)25-10-9-24-42(41(56)51-26-43(45,46)47)34-16-7-5-13-31(34)32-14-6-8-17-35(32)42/h3-8,11-23,27H,9-10,24-26H2,1-2H3,(H,51,56)(H,52,55)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of human Microsomal Triglyceride Transfer Protein, (triglyceride transfer assay)				J Med Chem 44: 851-6 (2001) BindingDB Entry DOI: 10.7270/Q2N015S8
					More data for this Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit (Homo sapiens (Human))	BDBM50098325 (9-(4-{4-[(4'-Trifluoromethyl-biphenyl-2-carbonyl)-...) Show SMILES FC(F)(F)CNC(=O)C1(CCCCn2cnc3c(NC(=O)c4ccccc4-c4ccc(cc4)C(F)(F)F)cccc23)c2ccccc2-c2ccccc12 Show InChI InChI=1S/C41H32F6N4O2/c42-40(43,44)24-48-38(53)39(32-14-5-3-11-29(32)30-12-4-6-15-33(30)39)22-7-8-23-51-25-49-36-34(16-9-17-35(36)51)50-37(52)31-13-2-1-10-28(31)26-18-20-27(21-19-26)41(45,46)47/h1-6,9-21,25H,7-8,22-24H2,(H,48,53)(H,50,52)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of human Microsomal Triglyceride Transfer Protein (triglyceride transfer assay)				J Med Chem 44: 851-6 (2001) BindingDB Entry DOI: 10.7270/Q2N015S8
					More data for this Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit (Homo sapiens (Human))	BDBM50098320 (9-(4-{4-[(4''-Trifluoromethyl-biphenyl-2-carbonyl)...) Show SMILES FC(F)(F)CNC(=O)C1(CCCCN2CCC(CC2)NC(=O)c2ccccc2-c2ccc(cc2)C(F)(F)F)c2ccccc2-c2ccccc12 Show InChI InChI=1S/C39H37F6N3O2/c40-38(41,42)25-46-36(50)37(33-13-5-3-10-30(33)31-11-4-6-14-34(31)37)21-7-8-22-48-23-19-28(20-24-48)47-35(49)32-12-2-1-9-29(32)26-15-17-27(18-16-26)39(43,44)45/h1-6,9-18,28H,7-8,19-25H2,(H,46,50)(H,47,49)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of human microsomal triglyceride transfer protein using triglyceride transfer assay				J Med Chem 44: 851-6 (2001) BindingDB Entry DOI: 10.7270/Q2N015S8
					More data for this Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit (Homo sapiens (Human))	BDBM50098327 (9-(3-{4-[(4'-Trifluoromethyl-biphenyl-2-carbonyl)-...) Show SMILES FC(F)(F)CNC(=O)C1(CCCn2cnc3c(NC(=O)c4ccccc4-c4ccc(cc4)C(F)(F)F)cccc23)c2ccccc2-c2ccccc12 Show InChI InChI=1S/C40H30F6N4O2/c41-39(42,43)23-47-37(52)38(31-13-5-3-10-28(31)29-11-4-6-14-32(29)38)21-8-22-50-24-48-35-33(15-7-16-34(35)50)49-36(51)30-12-2-1-9-27(30)25-17-19-26(20-18-25)40(44,45)46/h1-7,9-20,24H,8,21-23H2,(H,47,52)(H,49,51)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of human Microsomal Triglyceride Transfer Protein, (triglyceride transfer assay)				J Med Chem 44: 851-6 (2001) BindingDB Entry DOI: 10.7270/Q2N015S8
					More data for this Ligand-Target Pair