Compile Data Set for Download or QSAR

Found 63 hits Enz. Inhib. hit(s) with all data for entry = 8533   

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
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256357 (US9487490, 4E) Show SMILES COC1CN(C1)C(=O)c1ccc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)C1=CCC(CC1)C(O)=O |t:34| Show InChI InChI=1S/C27H23ClF3N3O5/c1-39-17-12-33(13-17)24(35)16-9-10-18-21(11-16)34(32-23(18)14-5-7-15(8-6-14)26(37)38)25(36)22-19(27(29,30)31)3-2-4-20(22)28/h2-5,9-11,15,17H,6-8,12-13H2,1H3,(H,37,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256393 (US9487490, 2B) Show SMILES COC1CN(C1)C(=O)c1ccc2c(nn(C(=O)c3c(Cl)cccc3C3CC3)c2c1)C1=CC[C@H](CC1)C(O)=O |r,t:34| Show InChI InChI=1S/C29H28ClN3O5/c1-38-20-14-32(15-20)27(34)19-11-12-22-24(13-19)33(31-26(22)17-7-9-18(10-8-17)29(36)37)28(35)25-21(16-5-6-16)3-2-4-23(25)30/h2-4,7,11-13,16,18,20H,5-6,8-10,14-15H2,1H3,(H,36,37)/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256382 (US9487490, 6A) Show SMILES OC1C=C(CCC1C(O)=O)c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccc(F)c12 |c:2| Show InChI InChI=1S/C22H15ClF4N2O4/c23-13-4-1-3-12(22(25,26)27)17(13)20(31)29-15-6-2-5-14(24)18(15)19(28-29)10-7-8-11(21(32)33)16(30)9-10/h1-6,9,11,16,30H,7-8H2,(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256349 (US9487490, 2A) Show SMILES COC1CN(C1)C(=O)c1ccc2c(nn(C(=O)c3c(Cl)cccc3C3CC3)c2c1)C1=CC[C@@H](CC1)C(O)=O |r,t:34| Show InChI InChI=1S/C29H28ClN3O5/c1-38-20-14-32(15-20)27(34)19-11-12-22-24(13-19)33(31-26(22)17-7-9-18(10-8-17)29(36)37)28(35)25-21(16-5-6-16)3-2-4-23(25)30/h2-4,7,11-13,16,18,20H,5-6,8-10,14-15H2,1H3,(H,36,37)/t18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256366 (US9487490, 4N) Show SMILES CN1CCN(CC1=O)C(=O)c1ccc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)C1=CCC(CC1)C(O)=O |t:36| Show InChI InChI=1S/C28H24ClF3N4O5/c1-34-11-12-35(14-22(34)37)25(38)17-9-10-18-21(13-17)36(33-24(18)15-5-7-16(8-6-15)27(40)41)26(39)23-19(28(30,31)32)3-2-4-20(23)29/h2-5,9-10,13,16H,6-8,11-12,14H2,1H3,(H,40,41)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256361 (US9487490, 4I) Show SMILES COC1CCN(C1)C(=O)c1ccc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)C1=CCC(CC1)C(O)=O |t:35| Show InChI InChI=1S/C28H25ClF3N3O5/c1-40-18-11-12-34(14-18)25(36)17-9-10-19-22(13-17)35(33-24(19)15-5-7-16(8-6-15)27(38)39)26(37)23-20(28(30,31)32)3-2-4-21(23)29/h2-5,9-10,13,16,18H,6-8,11-12,14H2,1H3,(H,38,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256375 (US9487490, 4W) Show SMILES OC1CN(C1)C(=O)c1ccc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)C1=CCC(CC1)C(O)=O |t:33| Show InChI InChI=1S/C26H21ClF3N3O5/c27-19-3-1-2-18(26(28,29)30)21(19)24(36)33-20-10-15(23(35)32-11-16(34)12-32)8-9-17(20)22(31-33)13-4-6-14(7-5-13)25(37)38/h1-4,8-10,14,16,34H,5-7,11-12H2,(H,37,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256376 (US9487490, 4X) Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cc(ccc12)C(=O)N1CC(F)C1 |c:6| Show InChI InChI=1S/C26H20ClF4N3O4/c27-19-3-1-2-18(26(29,30)31)21(19)24(36)34-20-10-15(23(35)33-11-16(28)12-33)8-9-17(20)22(32-34)13-4-6-14(7-5-13)25(37)38/h1-4,8-10,14,16H,5-7,11-12H2,(H,37,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256381 (US9487490, 5A) Show SMILES OC(=O)C1CCC(=CC1)c1cn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccc(F)c12 |c:6| Show InChI InChI=1S/C23H16ClF4NO3/c24-16-4-1-3-15(23(26,27)28)20(16)21(30)29-11-14(19-17(25)5-2-6-18(19)29)12-7-9-13(10-8-12)22(31)32/h1-7,11,13H,8-10H2,(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256350 (US9487490, 2C) Show SMILES COC1CN(C1)C(=O)c1ccc2c(nn(C(=O)c3c(Cl)cccc3C3CC3)c2c1)C1=CC[C@@](C)(CC1)C(O)=O |r,t:34| Show InChI InChI=1S/C30H30ClN3O5/c1-30(29(37)38)12-10-18(11-13-30)26-22-9-8-19(27(35)33-15-20(16-33)39-2)14-24(22)34(32-26)28(36)25-21(17-6-7-17)4-3-5-23(25)31/h3-5,8-10,14,17,20H,6-7,11-13,15-16H2,1-2H3,(H,37,38)/t30-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256383 (US9487490, 6C) Show SMILES CC1CC(=CC(O)C1C(O)=O)c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccc(F)c12 |c:3| Show InChI InChI=1S/C23H17ClF4N2O4/c1-10-8-11(9-16(31)17(10)22(33)34)20-19-14(25)6-3-7-15(19)30(29-20)21(32)18-12(23(26,27)28)4-2-5-13(18)24/h2-7,9-10,16-17,31H,8H2,1H3,(H,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256353 (US9487490, 4A) Show SMILES CC(C)(C)OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cc(ccc12)C(=O)N1CC(F)(F)C1 |c:10| Show InChI InChI=1S/C30H27ClF5N3O4/c1-28(2,3)43-27(42)17-9-7-16(8-10-17)24-19-12-11-18(25(40)38-14-29(32,33)15-38)13-22(19)39(37-24)26(41)23-20(30(34,35)36)5-4-6-21(23)31/h4-7,11-13,17H,8-10,14-15H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256352 (US9487490, 3B) Show SMILES OC(=O)[C@H]1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2cccc(F)c12 |r,c:6| Show InChI InChI=1S/C24H20ClFN2O3/c25-17-4-1-3-16(13-7-8-13)20(17)23(29)28-19-6-2-5-18(26)21(19)22(27-28)14-9-11-15(12-10-14)24(30)31/h1-6,9,13,15H,7-8,10-12H2,(H,30,31)/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256351 (US9487490, 2D) Show SMILES COC1CN(C1)C(=O)c1ccc2c(nn(C(=O)c3c(Cl)cccc3C3CC3)c2c1)C1=CC[C@](C)(CC1)C(O)=O |r,t:34| Show InChI InChI=1S/C30H30ClN3O5/c1-30(29(37)38)12-10-18(11-13-30)26-22-9-8-19(27(35)33-15-20(16-33)39-2)14-24(22)34(32-26)28(36)25-21(17-6-7-17)4-3-5-23(25)31/h3-5,8-10,14,17,20H,6-7,11-13,15-16H2,1-2H3,(H,37,38)/t30-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256394 (US9487490, 3A) Show SMILES OC(=O)[C@@H]1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2cccc(F)c12 |r,c:6| Show InChI InChI=1S/C24H20ClFN2O3/c25-17-4-1-3-16(13-7-8-13)20(17)23(29)28-19-6-2-5-18(26)21(19)22(27-28)14-9-11-15(12-10-14)24(30)31/h1-6,9,13,15H,7-8,10-12H2,(H,30,31)/t15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256359 (US9487490, 4G) Show SMILES C[C@H]1CCCN1C(=O)c1ccc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)C1=CCC(CC1)C(O)=O |r,t:34| Show InChI InChI=1S/C28H25ClF3N3O4/c1-15-4-3-13-34(15)25(36)18-11-12-19-22(14-18)35(33-24(19)16-7-9-17(10-8-16)27(38)39)26(37)23-20(28(30,31)32)5-2-6-21(23)29/h2,5-7,11-12,14-15,17H,3-4,8-10,13H2,1H3,(H,38,39)/t15-,17?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256379 (US9487490, 4AA) Show SMILES CO[C@H]1CCN(C1)C(=O)c1ccc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)C1=CCC(CC1)C(O)=O |r,t:35| Show InChI InChI=1S/C28H25ClF3N3O5/c1-40-18-11-12-34(14-18)25(36)17-9-10-19-22(13-17)35(33-24(19)15-5-7-16(8-6-15)27(38)39)26(37)23-20(28(30,31)32)3-2-4-21(23)29/h2-5,9-10,13,16,18H,6-8,11-12,14H2,1H3,(H,38,39)/t16?,18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256346 (US9487490, 1J) Show SMILES CC1(CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2cccc(F)c12)C(O)=O |c:4| Show InChI InChI=1S/C25H22ClFN2O3/c1-25(24(31)32)12-10-15(11-13-25)22-21-18(27)6-3-7-19(21)29(28-22)23(30)20-16(14-8-9-14)4-2-5-17(20)26/h2-7,10,14H,8-9,11-13H2,1H3,(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256380 (US9487490, 4AB) Show SMILES CO[C@@H]1CCN(C1)C(=O)c1ccc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)C1=CCC(CC1)C(O)=O |r,t:35| Show InChI InChI=1S/C28H25ClF3N3O5/c1-40-18-11-12-34(14-18)25(36)17-9-10-19-22(13-17)35(33-24(19)15-5-7-16(8-6-15)27(38)39)26(37)23-20(28(30,31)32)3-2-4-21(23)29/h2-5,9-10,13,16,18H,6-8,11-12,14H2,1H3,(H,38,39)/t16?,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256355 (US9487490, 4C) Show SMILES CN(C1CC1)C(=O)c1ccc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)C1=CCC(CC1)C(O)=O |t:33| Show InChI InChI=1S/C27H23ClF3N3O4/c1-33(17-10-11-17)24(35)16-9-12-18-21(13-16)34(32-23(18)14-5-7-15(8-6-14)26(37)38)25(36)22-19(27(29,30)31)3-2-4-20(22)28/h2-5,9,12-13,15,17H,6-8,10-11H2,1H3,(H,37,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256339 (US9487490, 1C) Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccc(F)c12 |c:6| Show InChI InChI=1S/C22H15ClF4N2O3/c23-14-4-1-3-13(22(25,26)27)17(14)20(30)29-16-6-2-5-15(24)18(16)19(28-29)11-7-9-12(10-8-11)21(31)32/h1-7,12H,8-10H2,(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256345 (US9487490, 1I) Show SMILES CC1(CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccc(Cl)c12)C(O)=O |c:4| Show InChI InChI=1S/C23H17Cl2F3N2O3/c1-22(21(32)33)10-8-12(9-11-22)19-18-15(25)6-3-7-16(18)30(29-19)20(31)17-13(23(26,27)28)4-2-5-14(17)24/h2-8H,9-11H2,1H3,(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256395 (US9487490, 6B) Show SMILES OC1CC(=CCC1C(O)=O)c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccc(F)c12 |c:3| Show InChI InChI=1S/C22H15ClF4N2O4/c23-13-4-1-3-12(22(25,26)27)17(13)20(31)29-15-6-2-5-14(24)18(15)19(28-29)10-7-8-11(21(32)33)16(30)9-10/h1-7,11,16,30H,8-9H2,(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256385 (US9487490, 8A) Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccc(F)c12 |r,wU:6.9,wD:3.2,(-2.81,9.19,;-1.72,8.1,;-.23,8.5,;-2.12,6.61,;-3.62,6.16,;-4.02,4.67,;-2.93,3.59,;-1.44,3.98,;-1.04,5.47,;-3.33,2.1,;-2.42,.85,;-3.33,-.39,;-2.93,-1.88,;-4.02,-2.97,;-1.44,-2.28,;-.35,-1.19,;-.75,.3,;1.13,-1.59,;1.53,-3.08,;.44,-4.17,;-1.04,-3.77,;-2.13,-4.86,;-3.67,-4.86,;-3.22,-5.95,;-1.74,-6.34,;-4.79,.08,;-6.13,-.69,;-7.46,.08,;-7.46,1.62,;-6.13,2.39,;-6.13,3.93,;-4.79,1.62,)| Show InChI InChI=1S/C22H17ClF4N2O3/c23-14-4-1-3-13(22(25,26)27)17(14)20(30)29-16-6-2-5-15(24)18(16)19(28-29)11-7-9-12(10-8-11)21(31)32/h1-6,11-12H,7-10H2,(H,31,32)/t11-,12-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256337 (US9487490, 1A) Show SMILES CN(C)C(=O)c1ccc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)C1=CCC(CC1)C(O)=O |t:30| Show InChI InChI=1S/C25H21ClF3N3O4/c1-31(2)22(33)15-10-11-16-19(12-15)32(30-21(16)13-6-8-14(9-7-13)24(35)36)23(34)20-17(25(27,28)29)4-3-5-18(20)26/h3-6,10-12,14H,7-9H2,1-2H3,(H,35,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256344 (US9487490, 1H) Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2ccccc12 |c:6| Show InChI InChI=1S/C22H16ClF3N2O3/c23-16-6-3-5-15(22(24,25)26)18(16)20(29)28-17-7-2-1-4-14(17)19(27-28)12-8-10-13(11-9-12)21(30)31/h1-8,13H,9-11H2,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256338 (US9487490, 1B) Show SMILES CC1(CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccc(F)c12)C(O)=O |c:4| Show InChI InChI=1S/C23H17ClF4N2O3/c1-22(21(32)33)10-8-12(9-11-22)19-18-15(25)6-3-7-16(18)30(29-19)20(31)17-13(23(26,27)28)4-2-5-14(17)24/h2-8H,9-11H2,1H3,(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256370 (US9487490, 4R) Show SMILES C[C@H]1CN(CCO1)C(=O)c1ccc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)C1=CCC(CC1)C(O)=O |r,t:35| Show InChI InChI=1S/C28H25ClF3N3O5/c1-15-14-34(11-12-40-15)25(36)18-9-10-19-22(13-18)35(33-24(19)16-5-7-17(8-6-16)27(38)39)26(37)23-20(28(30,31)32)3-2-4-21(23)29/h2-5,9-10,13,15,17H,6-8,11-12,14H2,1H3,(H,38,39)/t15-,17?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256365 (US9487490, 4M) Show SMILES C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)C1=CCC(CC1)C(O)=O |r,t:36| Show InChI InChI=1S/C29H27ClF3N3O5/c1-15-13-35(14-16(2)41-15)26(37)19-10-11-20-23(12-19)36(34-25(20)17-6-8-18(9-7-17)28(39)40)27(38)24-21(29(31,32)33)4-3-5-22(24)30/h3-6,10-12,15-16,18H,7-9,13-14H2,1-2H3,(H,39,40)/t15-,16+,18?	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256362 (US9487490, 4J) Show SMILES CC1CN(CCO1)C(=O)c1ccc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)C1=CCC(CC1)C(O)=O |t:35| Show InChI InChI=1S/C28H25ClF3N3O5/c1-15-14-34(11-12-40-15)25(36)18-9-10-19-22(13-18)35(33-24(19)16-5-7-17(8-6-16)27(38)39)26(37)23-20(28(30,31)32)3-2-4-21(23)29/h2-5,9-10,13,15,17H,6-8,11-12,14H2,1H3,(H,38,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256358 (US9487490, 4F) Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cc(ccc12)C(=O)N1CCCC1 |c:6| Show InChI InChI=1S/C27H23ClF3N3O4/c28-20-5-3-4-19(27(29,30)31)22(20)25(36)34-21-14-17(24(35)33-12-1-2-13-33)10-11-18(21)23(32-34)15-6-8-16(9-7-15)26(37)38/h3-6,10-11,14,16H,1-2,7-9,12-13H2,(H,37,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256347 (US9487490, 1K) Show SMILES Cc1cccc(Cl)c1C(=O)n1nc(C2=CCC(CC2)C(O)=O)c2c(F)cccc12 |t:14| Show InChI InChI=1S/C22H18ClFN2O3/c1-12-4-2-5-15(23)18(12)21(27)26-17-7-3-6-16(24)19(17)20(25-26)13-8-10-14(11-9-13)22(28)29/h2-8,14H,9-11H2,1H3,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	31	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256374 (US9487490, 4V) Show SMILES COCCN(C)C(=O)c1ccc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)C1=CCC(CC1)C(O)=O |t:33| Show InChI InChI=1S/C27H25ClF3N3O5/c1-33(12-13-39-2)24(35)17-10-11-18-21(14-17)34(32-23(18)15-6-8-16(9-7-15)26(37)38)25(36)22-19(27(29,30)31)4-3-5-20(22)28/h3-6,10-11,14,16H,7-9,12-13H2,1-2H3,(H,37,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	31	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256364 (US9487490, 4L) Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cc(ccc12)C(=O)N1CCOCC1 |c:6| Show InChI InChI=1S/C27H23ClF3N3O5/c28-20-3-1-2-19(27(29,30)31)22(20)25(36)34-21-14-17(24(35)33-10-12-39-13-11-33)8-9-18(21)23(32-34)15-4-6-16(7-5-15)26(37)38/h1-4,8-9,14,16H,5-7,10-13H2,(H,37,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	36	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256371 (US9487490, 4S) Show SMILES CN(CCO)C(=O)c1ccc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)C1=CCC(CC1)C(O)=O |t:32| Show InChI InChI=1S/C26H23ClF3N3O5/c1-32(11-12-34)23(35)16-9-10-17-20(13-16)33(31-22(17)14-5-7-15(8-6-14)25(37)38)24(36)21-18(26(28,29)30)3-2-4-19(21)27/h2-5,9-10,13,15,34H,6-8,11-12H2,1H3,(H,37,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256368 (US9487490, 4P) Show SMILES CN(C1CCOCC1)C(=O)c1ccc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)C1=CCC(CC1)C(O)=O |t:36| Show InChI InChI=1S/C29H27ClF3N3O5/c1-35(19-11-13-41-14-12-19)26(37)18-9-10-20-23(15-18)36(34-25(20)16-5-7-17(8-6-16)28(39)40)27(38)24-21(29(31,32)33)3-2-4-22(24)30/h2-5,9-10,15,17,19H,6-8,11-14H2,1H3,(H,39,40)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	41	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256386 (US9487490, 9A) Show SMILES C[C@@]1(CC[C@@H](CC1)c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccc(F)c12)C(O)=O |r,wU:4.7,1.0,wD:1.33,(-2.14,8.14,;-2.41,6.62,;-3.44,5.48,;-2.96,4.01,;-1.45,3.69,;-.42,4.84,;-.9,6.3,;-.98,2.23,;-1.88,.98,;-.98,-.27,;-1.45,-1.73,;-.42,-2.87,;-2.96,-2.05,;-3.99,-.91,;-3.51,.56,;-5.5,-1.23,;-5.97,-2.69,;-4.94,-3.84,;-3.44,-3.51,;-2.41,-4.66,;-2.8,-6.15,;-1.32,-5.75,;-.87,-4.66,;.49,.21,;1.82,-.56,;3.15,.21,;3.15,1.75,;1.82,2.52,;1.82,4.06,;.49,1.75,;-3.51,7.69,;-4.99,7.27,;-3.14,9.18,)| Show InChI InChI=1S/C23H19ClF4N2O3/c1-22(21(32)33)10-8-12(9-11-22)19-18-15(25)6-3-7-16(18)30(29-19)20(31)17-13(23(26,27)28)4-2-5-14(17)24/h2-7,12H,8-11H2,1H3,(H,32,33)/t12-,22-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256389 (US9487490, 12A) Show SMILES CC1CC(CC=C1c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccc(F)c12)C(O)=O |c:5| Show InChI InChI=1S/C23H17ClF4N2O3/c1-11-10-12(22(32)33)8-9-13(11)20-19-16(25)6-3-7-17(19)30(29-20)21(31)18-14(23(26,27)28)4-2-5-15(18)24/h2-7,9,11-12H,8,10H2,1H3,(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	54	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256341 (US9487490, 1E) Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccnc12 |c:6| Show InChI InChI=1S/C21H15ClF3N3O3/c22-14-4-1-3-13(21(23,24)25)16(14)19(29)28-15-5-2-10-26-18(15)17(27-28)11-6-8-12(9-7-11)20(30)31/h1-6,10,12H,7-9H2,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	76	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256363 (US9487490, 4K) Show SMILES CN(C1CCCCC1)C(=O)c1ccc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)C1=CCC(CC1)C(O)=O |t:36| Show InChI InChI=1S/C30H29ClF3N3O4/c1-36(20-6-3-2-4-7-20)27(38)19-14-15-21-24(16-19)37(35-26(21)17-10-12-18(13-11-17)29(40)41)28(39)25-22(30(32,33)34)8-5-9-23(25)31/h5,8-10,14-16,18,20H,2-4,6-7,11-13H2,1H3,(H,40,41)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	94	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256392 (US9487490, 10B) Show SMILES CC1(C)C=C(CC[C@@H]1C(O)=O)c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccc(F)c12 |r,c:3| Show InChI InChI=1S/C24H19ClF4N2O3/c1-23(2)11-12(9-10-14(23)22(33)34)20-19-16(26)7-4-8-17(19)31(30-20)21(32)18-13(24(27,28)29)5-3-6-15(18)25/h3-8,11,14H,9-10H2,1-2H3,(H,33,34)/t14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	96	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256360 (US9487490, 4H) Show SMILES C[C@@H]1CCCN1C(=O)c1ccc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)C1=CCC(CC1)C(O)=O |r,t:34| Show InChI InChI=1S/C28H25ClF3N3O4/c1-15-4-3-13-34(15)25(36)18-11-12-19-22(14-18)35(33-24(19)16-7-9-17(10-8-16)27(38)39)26(37)23-20(28(30,31)32)5-2-6-21(23)29/h2,5-7,11-12,14-15,17H,3-4,8-10,13H2,1H3,(H,38,39)/t15-,17?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	115	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256348 (US9487490, 1L) Show SMILES Cc1cccc(Cl)c1C(=O)n1nc(C2=CCC(CC2)C(O)=O)c2ncccc12 |t:14| Show InChI InChI=1S/C21H18ClN3O3/c1-12-4-2-5-15(22)17(12)20(26)25-16-6-3-11-23-19(16)18(24-25)13-7-9-14(10-8-13)21(27)28/h2-7,11,14H,8-10H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	123	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256354 (US9487490, 4B) Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cc(ccc12)C(=O)NC1CC1 |c:6| Show InChI InChI=1S/C26H21ClF3N3O4/c27-19-3-1-2-18(26(28,29)30)21(19)24(35)33-20-12-15(23(34)31-16-9-10-16)8-11-17(20)22(32-33)13-4-6-14(7-5-13)25(36)37/h1-4,8,11-12,14,16H,5-7,9-10H2,(H,31,34)(H,36,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	143	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256377 (US9487490, 4Y) Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cc(ccc12)C(=O)N1CCCCC1 |c:6| Show InChI InChI=1S/C28H25ClF3N3O4/c29-21-6-4-5-20(28(30,31)32)23(21)26(37)35-22-15-18(25(36)34-13-2-1-3-14-34)11-12-19(22)24(33-35)16-7-9-17(10-8-16)27(38)39/h4-7,11-12,15,17H,1-3,8-10,13-14H2,(H,38,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	159	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256373 (US9487490, 4U) Show SMILES CC(C)N(C)C(=O)c1ccc2c(nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)C1=CCC(CC1)C(O)=O |t:32| Show InChI InChI=1S/C27H25ClF3N3O4/c1-14(2)33(3)24(35)17-11-12-18-21(13-17)34(32-23(18)15-7-9-16(10-8-15)26(37)38)25(36)22-19(27(29,30)31)5-4-6-20(22)28/h4-7,11-14,16H,8-10H2,1-3H3,(H,37,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	164	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256342 (US9487490, 1F) Show SMILES CC1(CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccnc12)C(O)=O |c:4| Show InChI InChI=1S/C22H17ClF3N3O3/c1-21(20(31)32)9-7-12(8-10-21)17-18-15(6-3-11-27-18)29(28-17)19(30)16-13(22(24,25)26)4-2-5-14(16)23/h2-7,11H,8-10H2,1H3,(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	170	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256356 (US9487490, 4D) Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cc(ccc12)C(=O)N1CCC1 |c:6| Show InChI InChI=1S/C26H21ClF3N3O4/c27-19-4-1-3-18(26(28,29)30)21(19)24(35)33-20-13-16(23(34)32-11-2-12-32)9-10-17(20)22(31-33)14-5-7-15(8-6-14)25(36)37/h1,3-5,9-10,13,15H,2,6-8,11-12H2,(H,36,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	177	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256343 (US9487490, 1G) Show SMILES CC1C=C(CCC1C(O)=O)c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccnc12 |c:2| Show InChI InChI=1S/C22H17ClF3N3O3/c1-11-10-12(7-8-13(11)21(31)32)18-19-16(6-3-9-27-19)29(28-18)20(30)17-14(22(24,25)26)4-2-5-15(17)23/h2-6,9-11,13H,7-8H2,1H3,(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	182	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM256391 (US9487490, 11A) Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccnc12 |r,wU:6.9,wD:3.2,(-.09,6.49,;1,5.4,;2.49,5.8,;.6,3.91,;-.9,3.46,;-1.3,1.97,;-.21,.88,;1.28,1.28,;1.68,2.77,;-.61,-.6,;.3,-1.85,;-.61,-3.1,;-.21,-4.58,;-1.3,-5.67,;1.28,-4.98,;2.37,-3.89,;1.97,-2.4,;3.86,-4.29,;4.26,-5.78,;3.17,-6.87,;1.68,-6.47,;.59,-7.56,;.59,-9.1,;-.74,-8.33,;-.74,-6.79,;-2.07,-2.62,;-3.4,-3.39,;-4.74,-2.62,;-4.74,-1.08,;-3.4,-.31,;-2.07,-1.08,)| Show InChI InChI=1S/C21H17ClF3N3O3/c22-14-4-1-3-13(21(23,24)25)16(14)19(29)28-15-5-2-10-26-18(15)17(27-28)11-6-8-12(9-7-11)20(30)31/h1-5,10-12H,6-9H2,(H,30,31)/t11-,12-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	207	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair

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