Compile Data Set for Download or QSAR

Found 149 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 2929   

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
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385434 (4-((6R or S)-1-(2- chloro-6- cyclopropylbenzoyl)-6...) Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2CC(CCc12)C(=O)N1CC2COCC2C1 |c:6| Show InChI InChI=1S/C31H34ClN3O5/c32-25-3-1-2-23(17-4-5-17)27(25)30(37)35-26-12-20(29(36)34-13-21-15-40-16-22(21)14-34)10-11-24(26)28(33-35)18-6-8-19(9-7-18)31(38)39/h1-3,6,17,19-22H,4-5,7-16H2,(H,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385435 (4-((6R or S)-1-(2- chloro-6- cyclopropylbenzoyl)-6...) Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2CC(CCc12)C(=O)N1CCC2(CCCO2)C1 |c:6| Show InChI InChI=1S/C32H36ClN3O5/c33-25-4-1-3-23(19-5-6-19)27(25)30(38)36-26-17-22(29(37)35-15-14-32(18-35)13-2-16-41-32)11-12-24(26)28(34-36)20-7-9-21(10-8-20)31(39)40/h1,3-4,7,19,21-22H,2,5-6,8-18H2,(H,39,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385456 (US10287272, Example 5A | US10689369, Example 5A) Show SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(=O)OC(C)(C)C)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F |t:20| Show InChI InChI=1S/C34H39ClF3N3O5/c1-32(2,3)46-31(44)20-10-8-19(9-11-20)28-23-13-12-21(29(42)40-17-22(18-40)45-4)16-26(23)41(39-28)30(43)27-24(6-5-7-25(27)35)33(14-15-33)34(36,37)38/h5-8,20-22H,9-18H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385474 ((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...) Show SMILES CN(C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F)c1ccccn1 |t:15| Show InChI InChI=1S/C32H30ClF3N4O4/c1-39(25-7-2-3-16-37-25)28(41)20-12-13-21-24(17-20)40(38-27(21)18-8-10-19(11-9-18)30(43)44)29(42)26-22(5-4-6-23(26)33)31(14-15-31)32(34,35)36/h2-8,16,19-20H,9-15,17H2,1H3,(H,43,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385476 ((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...) Show SMILES CO[C@H]1CN(C[C@@H]1O)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F |r,t:22| Show InChI InChI=1S/C31H33ClF3N3O6/c1-44-24-15-37(14-23(24)39)27(40)18-9-10-19-22(13-18)38(36-26(19)16-5-7-17(8-6-16)29(42)43)28(41)25-20(3-2-4-21(25)32)30(11-12-30)31(33,34)35/h2-5,17-18,23-24,39H,6-15H2,1H3,(H,42,43)/t17?,18?,23-,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385477 ((R or S)-4-((R or 5)-1- (2-chloro-6-(1- (trifluoro...) Show SMILES CN(C)[C@H]1CN(C[C@@H]1O)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F |r,t:23| Show InChI InChI=1S/C32H36ClF3N4O5/c1-38(2)24-15-39(16-25(24)41)28(42)19-10-11-20-23(14-19)40(37-27(20)17-6-8-18(9-7-17)30(44)45)29(43)26-21(4-3-5-22(26)33)31(12-13-31)32(34,35)36/h3-6,18-19,24-25,41H,7-16H2,1-2H3,(H,44,45)/t18?,19?,24-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385478 ((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...) Show SMILES O[C@@H]1CN(C[C@@H]1F)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F |r,t:21| Show InChI InChI=1S/C30H30ClF4N3O5/c31-20-3-1-2-19(29(10-11-29)30(33,34)35)24(20)27(41)38-22-12-17(26(40)37-13-21(32)23(39)14-37)8-9-18(22)25(36-38)15-4-6-16(7-5-15)28(42)43/h1-4,16-17,21,23,39H,5-14H2,(H,42,43)/t16?,17?,21-,23+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385479 ((1R or S)-4-((6R or S)-1- (2-chloro-6-(1- (trifluo...) Show SMILES CN(C)C1CN(CC1(F)F)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F |t:24| Show InChI InChI=1S/C32H34ClF5N4O4/c1-40(2)24-15-41(16-31(24,34)35)27(43)19-10-11-20-23(14-19)42(39-26(20)17-6-8-18(9-7-17)29(45)46)28(44)25-21(4-3-5-22(25)33)30(12-13-30)32(36,37)38/h3-6,18-19,24H,7-16H2,1-2H3,(H,45,46)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385482 ((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...) Show SMILES COC1(C)CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F |t:21| Show InChI InChI=1S/C31H33ClF3N3O5/c1-29(43-2)15-37(16-29)26(39)19-10-11-20-23(14-19)38(36-25(20)17-6-8-18(9-7-17)28(41)42)27(40)24-21(4-3-5-22(24)32)30(12-13-30)31(33,34)35/h3-6,18-19H,7-16H2,1-2H3,(H,41,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385483 ((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...) Show SMILES CN(C)[C@H]1CN(C[C@@H]1F)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F |r,t:23| Show InChI InChI=1S/C32H35ClF4N4O4/c1-39(2)25-16-40(15-23(25)34)28(42)19-10-11-20-24(14-19)41(38-27(20)17-6-8-18(9-7-17)30(44)45)29(43)26-21(4-3-5-22(26)33)31(12-13-31)32(35,36)37/h3-6,18-19,23,25H,7-16H2,1-2H3,(H,44,45)/t18?,19?,23-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385484 ((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...) Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2(CC2)C(F)(F)F)c2CC(CCc12)C(=O)N1CC2(C1)CCCO2 |c:6| Show InChI InChI=1S/C32H33ClF3N3O5/c33-23-4-1-3-22(31(12-13-31)32(34,35)36)25(23)28(41)39-24-15-20(27(40)38-16-30(17-38)11-2-14-44-30)9-10-21(24)26(37-39)18-5-7-19(8-6-18)29(42)43/h1,3-5,19-20H,2,6-17H2,(H,42,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385486 ((R or S)-4-((R or S)-1- (2-chloro-6-(1- (difluorom...) Show SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)F |t:20| Show InChI InChI=1S/C30H32ClF2N3O5/c1-41-19-14-35(15-19)26(37)18-9-10-20-23(13-18)36(34-25(20)16-5-7-17(8-6-16)28(39)40)27(38)24-21(3-2-4-22(24)31)30(11-12-30)29(32)33/h2-5,17-19,29H,6-15H2,1H3,(H,39,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385488 ((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...) Show SMILES Cn1ncc2CN(Cc12)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F |t:24| Show InChI InChI=1S/C32H31ClF3N5O4/c1-39-25-16-40(15-20(25)14-37-39)28(42)19-9-10-21-24(13-19)41(38-27(21)17-5-7-18(8-6-17)30(44)45)29(43)26-22(3-2-4-23(26)33)31(11-12-31)32(34,35)36/h2-5,14,18-19H,6-13,15-16H2,1H3,(H,44,45)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385490 (4-((R or S)-1-(2-chloro-6-(1- (trifluoromethyl)cyc...) Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2(CC2)C(F)(F)F)c2CC(CCc12)C(=O)N1CC[C@H](C1)C#N |r,c:6| Show InChI InChI=1S/C31H30ClF3N4O4/c32-23-3-1-2-22(30(11-12-30)31(33,34)35)25(23)28(41)39-24-14-20(27(40)38-13-10-17(15-36)16-38)8-9-21(24)26(37-39)18-4-6-19(7-5-18)29(42)43/h1-4,17,19-20H,5-14,16H2,(H,42,43)/t17-,19?,20?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385491 ((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...) Show SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F |t:20| Show InChI InChI=1S/C30H31ClF3N3O5/c1-42-19-14-36(15-19)26(38)18-9-10-20-23(13-18)37(35-25(20)16-5-7-17(8-6-16)28(40)41)27(39)24-21(3-2-4-22(24)31)29(11-12-29)30(32,33)34/h2-5,17-19H,6-15H2,1H3,(H,40,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385484 ((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...) Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2(CC2)C(F)(F)F)c2CC(CCc12)C(=O)N1CC2(C1)CCCO2 |c:6| Show InChI InChI=1S/C32H33ClF3N3O5/c33-23-4-1-3-22(31(12-13-31)32(34,35)36)25(23)28(41)39-24-15-20(27(40)38-16-30(17-38)11-2-14-44-30)9-10-21(24)26(37-39)18-5-7-19(8-6-18)29(42)43/h1,3-5,19-20H,2,6-17H2,(H,42,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385485 ((R o rS)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...) Show SMILES CN(C)[C@@H]1CCN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F |r,t:22| Show InChI InChI=1S/C32H36ClF3N4O4/c1-38(2)21-12-15-39(17-21)28(41)20-10-11-22-25(16-20)40(37-27(22)18-6-8-19(9-7-18)30(43)44)29(42)26-23(4-3-5-24(26)33)31(13-14-31)32(34,35)36/h3-6,19-21H,7-17H2,1-2H3,(H,43,44)/t19?,20?,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385486 ((R or S)-4-((R or S)-1- (2-chloro-6-(1- (difluorom...) Show SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)F |t:20| Show InChI InChI=1S/C30H32ClF2N3O5/c1-41-19-14-35(15-19)26(37)18-9-10-20-23(13-18)36(34-25(20)16-5-7-17(8-6-16)28(39)40)27(38)24-21(3-2-4-22(24)31)30(11-12-30)29(32)33/h2-5,17-19,29H,6-15H2,1H3,(H,39,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385488 ((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...) Show SMILES Cn1ncc2CN(Cc12)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F |t:24| Show InChI InChI=1S/C32H31ClF3N5O4/c1-39-25-16-40(15-20(25)14-37-39)28(42)19-9-10-21-24(13-19)41(38-27(21)17-5-7-18(8-6-17)30(44)45)29(43)26-22(3-2-4-23(26)33)31(11-12-31)32(34,35)36/h2-5,14,18-19H,6-13,15-16H2,1H3,(H,44,45)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385483 ((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...) Show SMILES CN(C)[C@H]1CN(C[C@@H]1F)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F |r,t:23| Show InChI InChI=1S/C32H35ClF4N4O4/c1-39(2)25-16-40(15-23(25)34)28(42)19-10-11-20-24(14-19)41(38-27(20)17-6-8-18(9-7-17)30(44)45)29(43)26-21(4-3-5-22(26)33)31(12-13-31)32(35,36)37/h3-6,18-19,23,25H,7-16H2,1-2H3,(H,44,45)/t18?,19?,23-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385482 ((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...) Show SMILES COC1(C)CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F |t:21| Show InChI InChI=1S/C31H33ClF3N3O5/c1-29(43-2)15-37(16-29)26(39)19-10-11-20-23(14-19)38(36-25(20)17-6-8-18(9-7-17)28(41)42)27(40)24-21(4-3-5-22(24)32)30(12-13-30)31(33,34)35/h3-6,18-19H,7-16H2,1-2H3,(H,41,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385481 ((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...) Show SMILES CN(C)[C@H]1CN(C[C@H]1F)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F |r,t:23| Show InChI InChI=1S/C32H35ClF4N4O4/c1-39(2)25-16-40(15-23(25)34)28(42)19-10-11-20-24(14-19)41(38-27(20)17-6-8-18(9-7-17)30(44)45)29(43)26-21(4-3-5-22(26)33)31(12-13-31)32(35,36)37/h3-6,18-19,23,25H,7-16H2,1-2H3,(H,44,45)/t18?,19?,23-,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385479 ((1R or S)-4-((6R or S)-1- (2-chloro-6-(1- (trifluo...) Show SMILES CN(C)C1CN(CC1(F)F)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F |t:24| Show InChI InChI=1S/C32H34ClF5N4O4/c1-40(2)24-15-41(16-31(24,34)35)27(43)19-10-11-20-23(14-19)42(39-26(20)17-6-8-18(9-7-17)29(45)46)28(44)25-21(4-3-5-22(25)33)30(12-13-30)32(36,37)38/h3-6,18-19,24H,7-16H2,1-2H3,(H,45,46)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385504 ((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...) Show SMILES OC1CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F |t:19| Show InChI InChI=1S/C29H29ClF3N3O5/c30-21-3-1-2-20(28(10-11-28)29(31,32)33)23(21)26(39)36-22-12-17(25(38)35-13-18(37)14-35)8-9-19(22)24(34-36)15-4-6-16(7-5-15)27(40)41/h1-4,16-18,37H,5-14H2,(H,40,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385478 ((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...) Show SMILES O[C@@H]1CN(C[C@@H]1F)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F |r,t:21| Show InChI InChI=1S/C30H30ClF4N3O5/c31-20-3-1-2-19(29(10-11-29)30(33,34)35)24(20)27(41)38-22-12-17(26(40)37-13-21(32)23(39)14-37)8-9-18(22)25(36-38)15-4-6-16(7-5-15)28(42)43/h1-4,16-17,21,23,39H,5-14H2,(H,42,43)/t16?,17?,21-,23+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385512 ((R or S)-4-((R or S)-1- (2-chloro-6-(1- (difluorom...) Show SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(C)(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)F |t:20| Show InChI InChI=1S/C31H34ClF2N3O5/c1-30(29(40)41)10-8-17(9-11-30)25-20-7-6-18(26(38)36-15-19(16-36)42-2)14-23(20)37(35-25)27(39)24-21(4-3-5-22(24)32)31(12-13-31)28(33)34/h3-5,8,18-19,28H,6-7,9-16H2,1-2H3,(H,40,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385512 ((R or S)-4-((R or S)-1- (2-chloro-6-(1- (difluorom...) Show SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(C)(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)F |t:20| Show InChI InChI=1S/C31H34ClF2N3O5/c1-30(29(40)41)10-8-17(9-11-30)25-20-7-6-18(26(38)36-15-19(16-36)42-2)14-23(20)37(35-25)27(39)24-21(4-3-5-22(24)32)31(12-13-31)28(33)34/h3-5,8,18-19,28H,6-7,9-16H2,1-2H3,(H,40,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385530 ((1R,2S or 1S,2R)-4- ((S or R)-1-(2-chloro- 6-(1- (...) Show SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=C[C@H](C)[C@@H](CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F |r,t:20| Show InChI InChI=1S/C31H33ClF3N3O5/c1-16-12-17(6-8-20(16)29(41)42)26-21-9-7-18(27(39)37-14-19(15-37)43-2)13-24(21)38(36-26)28(40)25-22(4-3-5-23(25)32)30(10-11-30)31(33,34)35/h3-5,12,16,18-20H,6-11,13-15H2,1-2H3,(H,41,42)/t16-,18?,20+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385532 ((1R,6S or 1S, 6R)-4- ((S or R)-1-(2-chloro- 6-(1- ...) Show SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CC[C@H]([C@@H](C)C1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F |r,t:20| Show InChI InChI=1S/C31H33ClF3N3O5/c1-16-12-17(6-8-20(16)29(41)42)26-21-9-7-18(27(39)37-14-19(15-37)43-2)13-24(21)38(36-26)28(40)25-22(4-3-5-23(25)32)30(10-11-30)31(33,34)35/h3-6,16,18-20H,7-15H2,1-2H3,(H,41,42)/t16-,18?,20+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385535 ((1R,6S or 1S,6R)-4- ((S or R)-1-(2-chloro- 6-(1- (...) Show SMILES C[C@H]1CC(=CC[C@H]1C(O)=O)c1nn(C(=O)c2c(Cl)cccc2C2(CC2)C(F)(F)F)c2CC(CCc12)C(=O)N1CCC2(COC2)C1 |r,c:3| Show InChI InChI=1S/C33H35ClF3N3O5/c1-18-13-19(5-7-21(18)30(43)44)27-22-8-6-20(28(41)39-12-11-31(15-39)16-45-17-31)14-25(22)40(38-27)29(42)26-23(3-2-4-24(26)34)32(9-10-32)33(35,36)37/h2-5,18,20-21H,6-17H2,1H3,(H,43,44)/t18-,20?,21+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385391 (US10287272, Example 1B | US10689369, Example 1B) Show SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1 |t:20| Show InChI InChI=1S/C29H32ClN3O5/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/h2-4,7,16,18-20H,5-6,8-15H2,1H3,(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385392 (US10287272, Example 2A) Show SMILES COC(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(=O)OC(C)(C)C)C(=O)c1c(Cl)cccc1C1CC1 |t:15| Show InChI InChI=1S/C30H35ClN2O5/c1-30(2,3)38-29(36)19-12-10-18(11-13-19)26-22-15-14-20(28(35)37-4)16-24(22)33(32-26)27(34)25-21(17-8-9-17)6-5-7-23(25)31/h5-7,10,17,19-20H,8-9,11-16H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385393 (4-((R or S)-6-(azetidine- 1-carbonyl)-1-(2- chloro...) Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2CC(CCc12)C(=O)N1CCC1 |c:6| Show InChI InChI=1S/C28H30ClN3O4/c29-22-4-1-3-20(16-5-6-16)24(22)27(34)32-23-15-19(26(33)31-13-2-14-31)11-12-21(23)25(30-32)17-7-9-18(10-8-17)28(35)36/h1,3-4,7,16,18-19H,2,5-6,8-15H2,(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385400 (4-((R or S)-1-(2-chloro- 6-cyclopropylbenzoyl)- 6-...) Show SMILES COC1(C)CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1 |t:21| Show InChI InChI=1S/C30H34ClN3O5/c1-30(39-2)15-33(16-30)27(35)20-12-13-22-24(14-20)34(32-26(22)18-8-10-19(11-9-18)29(37)38)28(36)25-21(17-6-7-17)4-3-5-23(25)31/h3-5,8,17,19-20H,6-7,9-16H2,1-2H3,(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385401 (4-((R or S)-6-(3-(1H- pyrazol-1-yl)azetidine- 1-ca...) Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2CC(CCc12)C(=O)N1CC(C1)n1cccn1 |c:6| Show InChI InChI=1S/C31H32ClN5O4/c32-25-4-1-3-23(18-5-6-18)27(25)30(39)37-26-15-21(29(38)35-16-22(17-35)36-14-2-13-33-36)11-12-24(26)28(34-37)19-7-9-20(10-8-19)31(40)41/h1-4,7,13-14,18,20-22H,5-6,8-12,15-17H2,(H,40,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385403 (4-((R or S)-6-(3-(4H- 1,2,4-triazol-4- yl)azetidin...) Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2CC(CCc12)C(=O)N1CC(C1)n1cnnc1 |c:6| Show InChI InChI=1S/C30H31ClN6O4/c31-24-3-1-2-22(17-4-5-17)26(24)29(39)37-25-12-20(28(38)35-13-21(14-35)36-15-32-33-16-36)10-11-23(25)27(34-37)18-6-8-19(9-7-18)30(40)41/h1-3,6,15-17,19-21H,4-5,7-14H2,(H,40,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385404 (4-((R or S)-6-(3-(4H- 1,2,4-triazol-3- yl)azetidin...) Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2CC(CCc12)C(=O)N1CC(C1)c1nnc[nH]1 |c:6| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385415 (4-((R or S)-1-(2-chloro- 6-cyclopropylbenzoyl)- 6-...) Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2CC(CCc12)C(=O)N1CC2(C1)CCCO2 |c:6| Show InChI InChI=1S/C31H34ClN3O5/c32-24-4-1-3-22(18-5-6-18)26(24)29(37)35-25-15-21(28(36)34-16-31(17-34)13-2-14-40-31)11-12-23(25)27(33-35)19-7-9-20(10-8-19)30(38)39/h1,3-4,7,18,20-21H,2,5-6,8-17H2,(H,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385426 (4-((R or S)-1-(2-chloro- 6-cyclopropylbenzoyl)- 6-...) Show SMILES CO[C@H]1CCN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1 |r,t:21| Show InChI InChI=1S/C30H34ClN3O5/c1-39-21-13-14-33(16-21)28(35)20-11-12-23-25(15-20)34(32-27(23)18-7-9-19(10-8-18)30(37)38)29(36)26-22(17-5-6-17)3-2-4-24(26)31/h2-4,7,17,19-21H,5-6,8-16H2,1H3,(H,37,38)/t19?,20?,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385432 (4-((6R or S)-1-(2- chloro-6- cyclopropylbenzoyl)-6...) Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2CC(CCc12)C(=O)N1CCC2(CCO2)C1 |c:6| Show InChI InChI=1S/C31H34ClN3O5/c32-24-3-1-2-22(18-4-5-18)26(24)29(37)35-25-16-21(28(36)34-14-12-31(17-34)13-15-40-31)10-11-23(25)27(33-35)19-6-8-20(9-7-19)30(38)39/h1-3,6,18,20-21H,4-5,7-17H2,(H,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385433 (4-((6R or S)-1-(2- chloro-6- cyclopropylbenzoyl)-6...) Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2CC(CCc12)C(=O)N1CCC2(CCOC2)C1 |c:6| Show InChI InChI=1S/C32H36ClN3O5/c33-25-3-1-2-23(19-4-5-19)27(25)30(38)36-26-16-22(29(37)35-14-12-32(17-35)13-15-41-18-32)10-11-24(26)28(34-36)20-6-8-21(9-7-20)31(39)40/h1-3,6,19,21-22H,4-5,7-18H2,(H,39,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385441 (4-{(6R or S)-1-[(2- chloro-6- cyclopropylphenyl) c...) Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2CC(CCc12)C(=O)N1CC2(C1)CN(C2)c1ncccn1 |c:6| Show InChI InChI=1S/C34H35ClN6O4/c35-26-4-1-3-24(20-5-6-20)28(26)31(43)41-27-15-23(11-12-25(27)29(38-41)21-7-9-22(10-8-21)32(44)45)30(42)39-16-34(17-39)18-40(19-34)33-36-13-2-14-37-33/h1-4,7,13-14,20,22-23H,5-6,8-12,15-19H2,(H,44,45)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385452 (4-((R or S)-1-(2- chloro-6-cyclopropyl- 3-fluorobe...) Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)c(F)ccc2C2CC2)c2CC(CCc12)C(=O)N1CC2(C1)CCOC2 |c:6| Show InChI InChI=1S/C31H33ClFN3O5/c32-26-23(33)10-9-21(17-1-2-17)25(26)29(38)36-24-13-20(28(37)35-14-31(15-35)11-12-41-16-31)7-8-22(24)27(34-36)18-3-5-19(6-4-18)30(39)40/h3,9-10,17,19-20H,1-2,4-8,11-16H2,(H,39,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385454 (4-((R or S)-1-(2- chloro-6-cyclopropyl- 3-fluorobe...) Show SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)c(F)ccc1C1CC1 |t:20| Show InChI InChI=1S/C29H31ClFN3O5/c1-39-19-13-33(14-19)27(35)18-8-9-21-23(12-18)34(32-26(21)16-4-6-17(7-5-16)29(37)38)28(36)24-20(15-2-3-15)10-11-22(31)25(24)30/h4,10-11,15,17-19H,2-3,5-9,12-14H2,1H3,(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385475 ((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...) Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2(CC2)C(F)(F)F)c2CC(CCc12)C(=O)Nc1ccccn1 |c:6| Show InChI InChI=1S/C31H28ClF3N4O4/c32-22-5-3-4-21(30(13-14-30)31(33,34)35)25(22)28(41)39-23-16-19(27(40)37-24-6-1-2-15-36-24)11-12-20(23)26(38-39)17-7-9-18(10-8-17)29(42)43/h1-7,15,18-19H,8-14,16H2,(H,42,43)(H,36,37,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385481 ((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...) Show SMILES CN(C)[C@H]1CN(C[C@H]1F)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F |r,t:23| Show InChI InChI=1S/C32H35ClF4N4O4/c1-39(2)25-16-40(15-23(25)34)28(42)19-10-11-20-24(14-19)41(38-27(20)17-6-8-18(9-7-17)30(44)45)29(43)26-21(4-3-5-22(26)33)31(12-13-31)32(35,36)37/h3-6,18-19,23,25H,7-16H2,1-2H3,(H,44,45)/t18?,19?,23-,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385485 ((R o rS)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...) Show SMILES CN(C)[C@@H]1CCN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F |r,t:22| Show InChI InChI=1S/C32H36ClF3N4O4/c1-38(2)21-12-15-39(17-21)28(41)20-10-11-22-25(16-20)40(37-27(22)18-6-8-19(9-7-18)30(43)44)29(42)26-23(4-3-5-24(26)33)31(13-14-31)32(34,35)36/h3-6,19-21H,7-17H2,1-2H3,(H,43,44)/t19?,20?,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385489 ((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...) Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2(CC2)C(F)(F)F)c2CC(CCc12)C(=O)N1CCC2(COC2)C1 |c:6| Show InChI InChI=1S/C32H33ClF3N3O5/c33-23-3-1-2-22(31(10-11-31)32(34,35)36)25(23)28(41)39-24-14-20(27(40)38-13-12-30(15-38)16-44-17-30)8-9-21(24)26(37-39)18-4-6-19(7-5-18)29(42)43/h1-4,19-20H,5-17H2,(H,42,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385489 ((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...) Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2(CC2)C(F)(F)F)c2CC(CCc12)C(=O)N1CCC2(COC2)C1 |c:6| Show InChI InChI=1S/C32H33ClF3N3O5/c33-23-3-1-2-22(31(10-11-31)32(34,35)36)25(23)28(41)39-24-14-20(27(40)38-13-12-30(15-38)16-44-17-30)8-9-21(24)26(37-39)18-4-6-19(7-5-18)29(42)43/h1-4,19-20H,5-17H2,(H,42,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385505 ((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...) Show SMILES CC1(O)CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F |t:20| Show InChI InChI=1S/C30H31ClF3N3O5/c1-28(42)14-36(15-28)25(38)18-9-10-19-22(13-18)37(35-24(19)16-5-7-17(8-6-16)27(40)41)26(39)23-20(3-2-4-21(23)31)29(11-12-29)30(32,33)34/h2-5,17-18,42H,6-15H2,1H3,(H,40,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair

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