Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for entry = 6871   

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
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM155261 (US9006244, E4a | US9814715, Example 4, isomer 1) Show SMILES CC(C)[C@H]1N(CCn2c1cc1cc(CO)c(cc21)S(C)(=O)=O)c1nccc(n1)C(F)(F)F |r| Show InChI InChI=1S/C21H23F3N4O3S/c1-12(2)19-16-9-13-8-14(11-29)17(32(3,30)31)10-15(13)27(16)6-7-28(19)20-25-5-4-18(26-20)21(22,23)24/h4-5,8-10,12,19,29H,6-7,11H2,1-3H3/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US9006244 (2015) BindingDB Entry DOI: 10.7270/Q2X92911
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM155257 (US9006244, E2a | US9814715, Example 2, isomer 1) Show SMILES CC(C)[C@H]1N(CCn2c1nc1cc(CO)c(cc21)S(C)(=O)=O)c1nccc(n1)C(F)(F)F |r| Show InChI InChI=1S/C20H22F3N5O3S/c1-11(2)17-18-25-13-8-12(10-29)15(32(3,30)31)9-14(13)27(18)6-7-28(17)19-24-5-4-16(26-19)20(21,22)23/h4-5,8-9,11,17,29H,6-7,10H2,1-3H3/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US9006244 (2015) BindingDB Entry DOI: 10.7270/Q2X92911
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM155259 (US9006244, E3a | US9814715, Example 3, isomer 1) Show SMILES CC(C)[C@H]1N(CCn2c1cc1ccc(cc21)S(C)(=O)=O)c1nccc(n1)C(F)(F)F |r| Show InChI InChI=1S/C20H21F3N4O2S/c1-12(2)18-16-10-13-4-5-14(30(3,28)29)11-15(13)26(16)8-9-27(18)19-24-7-6-17(25-19)20(21,22)23/h4-7,10-12,18H,8-9H2,1-3H3/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US9006244 (2015) BindingDB Entry DOI: 10.7270/Q2X92911
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM155261 (US9006244, E4a | US9814715, Example 4, isomer 1) Show SMILES CC(C)[C@H]1N(CCn2c1cc1cc(CO)c(cc21)S(C)(=O)=O)c1nccc(n1)C(F)(F)F |r| Show InChI InChI=1S/C21H23F3N4O3S/c1-12(2)19-16-9-13-8-14(11-29)17(32(3,30)31)10-15(13)27(16)6-7-28(19)20-25-5-4-18(26-20)21(22,23)24/h4-5,8-10,12,19,29H,6-7,11H2,1-3H3/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US9006244 (2015) BindingDB Entry DOI: 10.7270/Q2X92911
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM155256 (US9006244, E1) Show SMILES CC(C)C1N(CCn2c1nc1ccc(cc21)S(C)(=O)=O)c1nccc(n1)C(F)(F)F Show InChI InChI=1S/C19H20F3N5O2S/c1-11(2)16-17-24-13-5-4-12(30(3,28)29)10-14(13)26(17)8-9-27(16)18-23-7-6-15(25-18)19(20,21)22/h4-7,10-11,16H,8-9H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	256	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US9006244 (2015) BindingDB Entry DOI: 10.7270/Q2X92911
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM155257 (US9006244, E2a | US9814715, Example 2, isomer 1) Show SMILES CC(C)[C@H]1N(CCn2c1nc1cc(CO)c(cc21)S(C)(=O)=O)c1nccc(n1)C(F)(F)F |r| Show InChI InChI=1S/C20H22F3N5O3S/c1-11(2)17-18-25-13-8-12(10-29)15(32(3,30)31)9-14(13)27(18)6-7-28(17)19-24-5-4-16(26-19)20(21,22)23/h4-5,8-9,11,17,29H,6-7,10H2,1-3H3/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	318	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US9006244 (2015) BindingDB Entry DOI: 10.7270/Q2X92911
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM155259 (US9006244, E3a | US9814715, Example 3, isomer 1) Show SMILES CC(C)[C@H]1N(CCn2c1cc1ccc(cc21)S(C)(=O)=O)c1nccc(n1)C(F)(F)F |r| Show InChI InChI=1S/C20H21F3N4O2S/c1-12(2)18-16-10-13-4-5-14(30(3,28)29)11-15(13)26(16)8-9-27(18)19-24-7-6-17(25-19)20(21,22)23/h4-7,10-12,18H,8-9H2,1-3H3/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US9006244 (2015) BindingDB Entry DOI: 10.7270/Q2X92911
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM155262 (US9006244, E4b | US9814715, Example 4, isomer 2) Show SMILES CC(C)[C@@H]1N(CCn2c1cc1cc(CO)c(cc21)S(C)(=O)=O)c1nccc(n1)C(F)(F)F |r| Show InChI InChI=1S/C21H23F3N4O3S/c1-12(2)19-16-9-13-8-14(11-29)17(32(3,30)31)10-15(13)27(16)6-7-28(19)20-25-5-4-18(26-20)21(22,23)24/h4-5,8-10,12,19,29H,6-7,11H2,1-3H3/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	846	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US9006244 (2015) BindingDB Entry DOI: 10.7270/Q2X92911
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM155260 (US9006244, E3b | US9814715, Example 3, isomer 2) Show SMILES CC(C)[C@@H]1N(CCn2c1cc1ccc(cc21)S(C)(=O)=O)c1nccc(n1)C(F)(F)F |r| Show InChI InChI=1S/C20H21F3N4O2S/c1-12(2)18-16-10-13-4-5-14(30(3,28)29)11-15(13)26(16)8-9-27(18)19-24-7-6-17(25-19)20(21,22)23/h4-7,10-12,18H,8-9H2,1-3H3/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US9006244 (2015) BindingDB Entry DOI: 10.7270/Q2X92911
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM155256 (US9006244, E1) Show SMILES CC(C)C1N(CCn2c1nc1ccc(cc21)S(C)(=O)=O)c1nccc(n1)C(F)(F)F Show InChI InChI=1S/C19H20F3N5O2S/c1-11(2)16-17-24-13-5-4-12(30(3,28)29)10-14(13)26(17)8-9-27(16)18-23-7-6-15(25-18)19(20,21)22/h4-7,10-11,16H,8-9H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.77E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US9006244 (2015) BindingDB Entry DOI: 10.7270/Q2X92911
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM155258 (US9006244, E2b | US9814715, Example 2, isomer 2) Show SMILES CC(C)[C@@H]1N(CCn2c1nc1cc(CO)c(cc21)S(C)(=O)=O)c1nccc(n1)C(F)(F)F |r| Show InChI InChI=1S/C20H22F3N5O3S/c1-11(2)17-18-25-13-8-12(10-29)15(32(3,30)31)9-14(13)27(18)6-7-28(17)19-24-5-4-16(26-19)20(21,22)23/h4-5,8-9,11,17,29H,6-7,10H2,1-3H3/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US9006244 (2015) BindingDB Entry DOI: 10.7270/Q2X92911
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM155260 (US9006244, E3b | US9814715, Example 3, isomer 2) Show SMILES CC(C)[C@@H]1N(CCn2c1cc1ccc(cc21)S(C)(=O)=O)c1nccc(n1)C(F)(F)F |r| Show InChI InChI=1S/C20H21F3N4O2S/c1-12(2)18-16-10-13-4-5-14(30(3,28)29)11-15(13)26(16)8-9-27(18)19-24-7-6-17(25-19)20(21,22)23/h4-7,10-12,18H,8-9H2,1-3H3/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>3.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US9006244 (2015) BindingDB Entry DOI: 10.7270/Q2X92911
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM155258 (US9006244, E2b | US9814715, Example 2, isomer 2) Show SMILES CC(C)[C@@H]1N(CCn2c1nc1cc(CO)c(cc21)S(C)(=O)=O)c1nccc(n1)C(F)(F)F |r| Show InChI InChI=1S/C20H22F3N5O3S/c1-11(2)17-18-25-13-8-12(10-29)15(32(3,30)31)9-14(13)27(18)6-7-28(17)19-24-5-4-16(26-19)20(21,22)23/h4-5,8-9,11,17,29H,6-7,10H2,1-3H3/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>3.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US9006244 (2015) BindingDB Entry DOI: 10.7270/Q2X92911
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM155262 (US9006244, E4b | US9814715, Example 4, isomer 2) Show SMILES CC(C)[C@@H]1N(CCn2c1cc1cc(CO)c(cc21)S(C)(=O)=O)c1nccc(n1)C(F)(F)F |r| Show InChI InChI=1S/C21H23F3N4O3S/c1-12(2)19-16-9-13-8-14(11-29)17(32(3,30)31)10-15(13)27(16)6-7-28(19)20-25-5-4-18(26-20)21(22,23)24/h4-5,8-10,12,19,29H,6-7,11H2,1-3H3/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>3.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...				US Patent US9006244 (2015) BindingDB Entry DOI: 10.7270/Q2X92911
					More data for this Ligand-Target Pair