Compile Data Set for Download or QSAR

Found 30 hits of kd for UniProtKB: P51449   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Nuclear receptor ROR-gamma [258-518] (Artificial Sequence)	BDBM231232 (US9346782, 12a | US9346782, 12b | US9346782, 12c) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(C)(O)c1cnc(C)n1C Show InChI InChI=1S/C25H23ClF3N3O2/c1-14-30-13-21(32(14)3)24(2,33)17-9-10-20-18(12-17)22(26)19(23(31-20)34-4)11-15-5-7-16(8-6-15)25(27,28)29/h5-10,12-13,33H,11H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	15	n/a	n/a	n/a	7.0	1
Janssen Pharmaceutica NV US Patent					Assay Description ThermoFluor® experiments were carried out using instruments owned by Janssen Research and Discovery, L.L.C. through its acquisition of 3-Dimensio...				US Patent US9346782 (2016) BindingDB Entry DOI: 10.7270/Q2DB80PS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Artificial Sequence)	BDBM231233 (US9346782, 13a | US9346782, 13b | US9346782, 13c) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(C)(O)c1ccc(C)nc1C Show InChI InChI=1S/C27H24ClF3N2O2/c1-15-5-11-22(16(2)32-15)26(3,34)19-10-12-23-20(14-19)24(28)21(25(33-23)35-4)13-17-6-8-18(9-7-17)27(29,30)31/h5-12,14,34H,13H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	21	n/a	n/a	n/a	7.0	1
Janssen Pharmaceutica NV US Patent					Assay Description ThermoFluor® experiments were carried out using instruments owned by Janssen Research and Discovery, L.L.C. through its acquisition of 3-Dimensio...				US Patent US9346782 (2016) BindingDB Entry DOI: 10.7270/Q2DB80PS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Artificial Sequence)	BDBM231232 (US9346782, 12a | US9346782, 12b | US9346782, 12c) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(C)(O)c1cnc(C)n1C Show InChI InChI=1S/C25H23ClF3N3O2/c1-14-30-13-21(32(14)3)24(2,33)17-9-10-20-18(12-17)22(26)19(23(31-20)34-4)11-15-5-7-16(8-6-15)25(27,28)29/h5-10,12-13,33H,11H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	27	n/a	n/a	n/a	7.0	1
Janssen Pharmaceutica NV US Patent					Assay Description ThermoFluor® experiments were carried out using instruments owned by Janssen Research and Discovery, L.L.C. through its acquisition of 3-Dimensio...				US Patent US9346782 (2016) BindingDB Entry DOI: 10.7270/Q2DB80PS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Artificial Sequence)	BDBM231231 (US9346782, 11a | US9346782, 11b | US9346782, 11c) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(C)(O)c1cnnn1C Show InChI InChI=1S/C23H20ClF3N4O2/c1-22(32,19-12-28-30-31(19)2)15-8-9-18-16(11-15)20(24)17(21(29-18)33-3)10-13-4-6-14(7-5-13)23(25,26)27/h4-9,11-12,32H,10H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	36	n/a	n/a	n/a	7.0	1
Janssen Pharmaceutica NV US Patent					Assay Description ThermoFluor® experiments were carried out using instruments owned by Janssen Research and Discovery, L.L.C. through its acquisition of 3-Dimensio...				US Patent US9346782 (2016) BindingDB Entry DOI: 10.7270/Q2DB80PS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Artificial Sequence)	BDBM231227 (US9346782, 7a | US9346782, 7b | US9346782, 7c) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(C#C)C1CN(C1)C(C)=O Show InChI InChI=1S/C26H22ClF3N2O3/c1-4-25(34,19-13-32(14-19)15(2)33)18-9-10-22-20(12-18)23(27)21(24(31-22)35-3)11-16-5-7-17(8-6-16)26(28,29)30/h1,5-10,12,19,34H,11,13-14H2,2-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	49	n/a	n/a	n/a	7.0	1
Janssen Pharmaceutica NV US Patent					Assay Description ThermoFluor® experiments were carried out using instruments owned by Janssen Research and Discovery, L.L.C. through its acquisition of 3-Dimensio...				US Patent US9346782 (2016) BindingDB Entry DOI: 10.7270/Q2DB80PS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Artificial Sequence)	BDBM231229 (US9346782, 9a | US9346782, 9b | US9346782, 9c) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(C)(O)c1cncn1C Show InChI InChI=1S/C24H21ClF3N3O2/c1-23(32,20-12-29-13-31(20)2)16-8-9-19-17(11-16)21(25)18(22(30-19)33-3)10-14-4-6-15(7-5-14)24(26,27)28/h4-9,11-13,32H,10H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	54	n/a	n/a	n/a	7.0	1
Janssen Pharmaceutica NV US Patent					Assay Description ThermoFluor® experiments were carried out using instruments owned by Janssen Research and Discovery, L.L.C. through its acquisition of 3-Dimensio...				US Patent US9346782 (2016) BindingDB Entry DOI: 10.7270/Q2DB80PS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Artificial Sequence)	BDBM231234 (US9346782, 14a | US9346782, 14b | US9346782, 14c) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(C#C)c1cnc(C)n1C Show InChI InChI=1S/C26H21ClF3N3O2/c1-5-25(34,22-14-31-15(2)33(22)3)18-10-11-21-19(13-18)23(27)20(24(32-21)35-4)12-16-6-8-17(9-7-16)26(28,29)30/h1,6-11,13-14,34H,12H2,2-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	59	n/a	n/a	n/a	7.0	1
Janssen Pharmaceutica NV US Patent					Assay Description ThermoFluor® experiments were carried out using instruments owned by Janssen Research and Discovery, L.L.C. through its acquisition of 3-Dimensio...				US Patent US9346782 (2016) BindingDB Entry DOI: 10.7270/Q2DB80PS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Artificial Sequence)	BDBM231233 (US9346782, 13a | US9346782, 13b | US9346782, 13c) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(C)(O)c1ccc(C)nc1C Show InChI InChI=1S/C27H24ClF3N2O2/c1-15-5-11-22(16(2)32-15)26(3,34)19-10-12-23-20(14-19)24(28)21(25(33-23)35-4)13-17-6-8-18(9-7-17)27(29,30)31/h5-12,14,34H,13H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	59	n/a	n/a	n/a	7.0	1
Janssen Pharmaceutica NV US Patent					Assay Description ThermoFluor® experiments were carried out using instruments owned by Janssen Research and Discovery, L.L.C. through its acquisition of 3-Dimensio...				US Patent US9346782 (2016) BindingDB Entry DOI: 10.7270/Q2DB80PS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Artificial Sequence)	BDBM231234 (US9346782, 14a | US9346782, 14b | US9346782, 14c) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(C#C)c1cnc(C)n1C Show InChI InChI=1S/C26H21ClF3N3O2/c1-5-25(34,22-14-31-15(2)33(22)3)18-10-11-21-19(13-18)23(27)20(24(32-21)35-4)12-16-6-8-17(9-7-16)26(28,29)30/h1,6-11,13-14,34H,12H2,2-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	60	n/a	n/a	n/a	7.0	1
Janssen Pharmaceutica NV US Patent					Assay Description ThermoFluor® experiments were carried out using instruments owned by Janssen Research and Discovery, L.L.C. through its acquisition of 3-Dimensio...				US Patent US9346782 (2016) BindingDB Entry DOI: 10.7270/Q2DB80PS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Artificial Sequence)	BDBM231233 (US9346782, 13a | US9346782, 13b | US9346782, 13c) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(C)(O)c1ccc(C)nc1C Show InChI InChI=1S/C27H24ClF3N2O2/c1-15-5-11-22(16(2)32-15)26(3,34)19-10-12-23-20(14-19)24(28)21(25(33-23)35-4)13-17-6-8-18(9-7-17)27(29,30)31/h5-12,14,34H,13H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	71	n/a	n/a	n/a	7.0	1
Janssen Pharmaceutica NV US Patent					Assay Description ThermoFluor® experiments were carried out using instruments owned by Janssen Research and Discovery, L.L.C. through its acquisition of 3-Dimensio...				US Patent US9346782 (2016) BindingDB Entry DOI: 10.7270/Q2DB80PS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Artificial Sequence)	BDBM231231 (US9346782, 11a | US9346782, 11b | US9346782, 11c) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(C)(O)c1cnnn1C Show InChI InChI=1S/C23H20ClF3N4O2/c1-22(32,19-12-28-30-31(19)2)15-8-9-18-16(11-15)20(24)17(21(29-18)33-3)10-13-4-6-14(7-5-13)23(25,26)27/h4-9,11-12,32H,10H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	77	n/a	n/a	n/a	7.0	1
Janssen Pharmaceutica NV US Patent					Assay Description ThermoFluor® experiments were carried out using instruments owned by Janssen Research and Discovery, L.L.C. through its acquisition of 3-Dimensio...				US Patent US9346782 (2016) BindingDB Entry DOI: 10.7270/Q2DB80PS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Artificial Sequence)	BDBM231235 (US9346782, 15) Show SMILES CC(C)C(O)(c1sc(C)nc1C)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1 Show InChI InChI=1S/C24H22Cl2N2OS/c1-13(2)24(29,22-14(3)27-15(4)30-22)17-10-11-19-18(12-17)21(25)20(23(26)28-19)16-8-6-5-7-9-16/h5-13,29H,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	98	n/a	n/a	n/a	7.0	1
Janssen Pharmaceutica NV US Patent					Assay Description ThermoFluor® experiments were carried out using instruments owned by Janssen Research and Discovery, L.L.C. through its acquisition of 3-Dimensio...				US Patent US9346782 (2016) BindingDB Entry DOI: 10.7270/Q2DB80PS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Artificial Sequence)	BDBM231234 (US9346782, 14a | US9346782, 14b | US9346782, 14c) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(C#C)c1cnc(C)n1C Show InChI InChI=1S/C26H21ClF3N3O2/c1-5-25(34,22-14-31-15(2)33(22)3)18-10-11-21-19(13-18)23(27)20(24(32-21)35-4)12-16-6-8-17(9-7-16)26(28,29)30/h1,6-11,13-14,34H,12H2,2-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	130	n/a	n/a	n/a	7.0	1
Janssen Pharmaceutica NV US Patent					Assay Description ThermoFluor® experiments were carried out using instruments owned by Janssen Research and Discovery, L.L.C. through its acquisition of 3-Dimensio...				US Patent US9346782 (2016) BindingDB Entry DOI: 10.7270/Q2DB80PS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Artificial Sequence)	BDBM231230 (US9346782, 10a | US9346782, 10b | US9346782, 10c) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(C)(O)c1oc(C)nc1C Show InChI InChI=1S/C25H22ClF3N2O3/c1-13-22(34-14(2)30-13)24(3,32)17-9-10-20-18(12-17)21(26)19(23(31-20)33-4)11-15-5-7-16(8-6-15)25(27,28)29/h5-10,12,32H,11H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	130	n/a	n/a	n/a	7.0	1
Janssen Pharmaceutica NV US Patent					Assay Description ThermoFluor® experiments were carried out using instruments owned by Janssen Research and Discovery, L.L.C. through its acquisition of 3-Dimensio...				US Patent US9346782 (2016) BindingDB Entry DOI: 10.7270/Q2DB80PS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Artificial Sequence)	BDBM231230 (US9346782, 10a | US9346782, 10b | US9346782, 10c) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(C)(O)c1oc(C)nc1C Show InChI InChI=1S/C25H22ClF3N2O3/c1-13-22(34-14(2)30-13)24(3,32)17-9-10-20-18(12-17)21(26)19(23(31-20)33-4)11-15-5-7-16(8-6-15)25(27,28)29/h5-10,12,32H,11H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	140	n/a	n/a	n/a	7.0	1
Janssen Pharmaceutica NV US Patent					Assay Description ThermoFluor® experiments were carried out using instruments owned by Janssen Research and Discovery, L.L.C. through its acquisition of 3-Dimensio...				US Patent US9346782 (2016) BindingDB Entry DOI: 10.7270/Q2DB80PS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Artificial Sequence)	BDBM231230 (US9346782, 10a | US9346782, 10b | US9346782, 10c) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(C)(O)c1oc(C)nc1C Show InChI InChI=1S/C25H22ClF3N2O3/c1-13-22(34-14(2)30-13)24(3,32)17-9-10-20-18(12-17)21(26)19(23(31-20)33-4)11-15-5-7-16(8-6-15)25(27,28)29/h5-10,12,32H,11H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	140	n/a	n/a	n/a	7.0	1
Janssen Pharmaceutica NV US Patent					Assay Description ThermoFluor® experiments were carried out using instruments owned by Janssen Research and Discovery, L.L.C. through its acquisition of 3-Dimensio...				US Patent US9346782 (2016) BindingDB Entry DOI: 10.7270/Q2DB80PS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Artificial Sequence)	BDBM231227 (US9346782, 7a | US9346782, 7b | US9346782, 7c) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(C#C)C1CN(C1)C(C)=O Show InChI InChI=1S/C26H22ClF3N2O3/c1-4-25(34,19-13-32(14-19)15(2)33)18-9-10-22-20(12-18)23(27)21(24(31-22)35-3)11-16-5-7-17(8-6-16)26(28,29)30/h1,5-10,12,19,34H,11,13-14H2,2-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	230	n/a	n/a	n/a	7.0	1
Janssen Pharmaceutica NV US Patent					Assay Description ThermoFluor® experiments were carried out using instruments owned by Janssen Research and Discovery, L.L.C. through its acquisition of 3-Dimensio...				US Patent US9346782 (2016) BindingDB Entry DOI: 10.7270/Q2DB80PS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Artificial Sequence)	BDBM231221 (US9346782, 1) Show SMILES CCCCC(O)(c1cc(C)no1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1 Show InChI InChI=1S/C24H22Cl2N2O2/c1-3-4-12-24(29,20-13-15(2)28-30-20)17-10-11-19-18(14-17)22(25)21(23(26)27-19)16-8-6-5-7-9-16/h5-11,13-14,29H,3-4,12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	240	n/a	n/a	n/a	7.0	1
Janssen Pharmaceutica NV US Patent					Assay Description ThermoFluor® experiments were carried out using instruments owned by Janssen Research and Discovery, L.L.C. through its acquisition of 3-Dimensio...				US Patent US9346782 (2016) BindingDB Entry DOI: 10.7270/Q2DB80PS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Artificial Sequence)	BDBM231231 (US9346782, 11a | US9346782, 11b | US9346782, 11c) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(C)(O)c1cnnn1C Show InChI InChI=1S/C23H20ClF3N4O2/c1-22(32,19-12-28-30-31(19)2)15-8-9-18-16(11-15)20(24)17(21(29-18)33-3)10-13-4-6-14(7-5-13)23(25,26)27/h4-9,11-12,32H,10H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	290	n/a	n/a	n/a	7.0	1
Janssen Pharmaceutica NV US Patent					Assay Description ThermoFluor® experiments were carried out using instruments owned by Janssen Research and Discovery, L.L.C. through its acquisition of 3-Dimensio...				US Patent US9346782 (2016) BindingDB Entry DOI: 10.7270/Q2DB80PS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Artificial Sequence)	BDBM231229 (US9346782, 9a | US9346782, 9b | US9346782, 9c) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(C)(O)c1cncn1C Show InChI InChI=1S/C24H21ClF3N3O2/c1-23(32,20-12-29-13-31(20)2)16-8-9-19-17(11-16)21(25)18(22(30-19)33-3)10-14-4-6-15(7-5-14)24(26,27)28/h4-9,11-13,32H,10H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	290	n/a	n/a	n/a	7.0	1
Janssen Pharmaceutica NV US Patent					Assay Description ThermoFluor® experiments were carried out using instruments owned by Janssen Research and Discovery, L.L.C. through its acquisition of 3-Dimensio...				US Patent US9346782 (2016) BindingDB Entry DOI: 10.7270/Q2DB80PS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Artificial Sequence)	BDBM231227 (US9346782, 7a | US9346782, 7b | US9346782, 7c) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(C#C)C1CN(C1)C(C)=O Show InChI InChI=1S/C26H22ClF3N2O3/c1-4-25(34,19-13-32(14-19)15(2)33)18-9-10-22-20(12-18)23(27)21(24(31-22)35-3)11-16-5-7-17(8-6-16)26(28,29)30/h1,5-10,12,19,34H,11,13-14H2,2-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	300	n/a	n/a	n/a	7.0	1
Janssen Pharmaceutica NV US Patent					Assay Description ThermoFluor® experiments were carried out using instruments owned by Janssen Research and Discovery, L.L.C. through its acquisition of 3-Dimensio...				US Patent US9346782 (2016) BindingDB Entry DOI: 10.7270/Q2DB80PS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Artificial Sequence)	BDBM231237 (US9346782, 17) Show SMILES CCC(O)(C1CN(C1)C(=O)OC(C)(C)C)c1ccc2nc(OC)c(Cc3ccc(cc3)C(F)(F)F)c(Cl)c2c1 Show InChI InChI=1S/C29H32ClF3N2O4/c1-6-28(37,20-15-35(16-20)26(36)39-27(2,3)4)19-11-12-23-21(14-19)24(30)22(25(34-23)38-5)13-17-7-9-18(10-8-17)29(31,32)33/h7-12,14,20,37H,6,13,15-16H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	390	n/a	n/a	n/a	7.0	1
Janssen Pharmaceutica NV US Patent					Assay Description ThermoFluor® experiments were carried out using instruments owned by Janssen Research and Discovery, L.L.C. through its acquisition of 3-Dimensio...				US Patent US9346782 (2016) BindingDB Entry DOI: 10.7270/Q2DB80PS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Artificial Sequence)	BDBM231232 (US9346782, 12a | US9346782, 12b | US9346782, 12c) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(C)(O)c1cnc(C)n1C Show InChI InChI=1S/C25H23ClF3N3O2/c1-14-30-13-21(32(14)3)24(2,33)17-9-10-20-18(12-17)22(26)19(23(31-20)34-4)11-15-5-7-16(8-6-15)25(27,28)29/h5-10,12-13,33H,11H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	470	n/a	n/a	n/a	7.0	1
Janssen Pharmaceutica NV US Patent					Assay Description ThermoFluor® experiments were carried out using instruments owned by Janssen Research and Discovery, L.L.C. through its acquisition of 3-Dimensio...				US Patent US9346782 (2016) BindingDB Entry DOI: 10.7270/Q2DB80PS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Artificial Sequence)	BDBM231222 (US9346782, 2) Show SMILES CCC(O)(c1cc(C)no1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1 Show InChI InChI=1S/C22H18Cl2N2O2/c1-3-22(27,18-11-13(2)26-28-18)15-9-10-17-16(12-15)20(23)19(21(24)25-17)14-7-5-4-6-8-14/h4-12,27H,3H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	520	n/a	n/a	n/a	7.0	1
Janssen Pharmaceutica NV US Patent					Assay Description ThermoFluor® experiments were carried out using instruments owned by Janssen Research and Discovery, L.L.C. through its acquisition of 3-Dimensio...				US Patent US9346782 (2016) BindingDB Entry DOI: 10.7270/Q2DB80PS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Artificial Sequence)	BDBM231229 (US9346782, 9a | US9346782, 9b | US9346782, 9c) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(C)(O)c1cncn1C Show InChI InChI=1S/C24H21ClF3N3O2/c1-23(32,20-12-29-13-31(20)2)16-8-9-19-17(11-16)21(25)18(22(30-19)33-3)10-14-4-6-15(7-5-14)24(26,27)28/h4-9,11-13,32H,10H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	540	n/a	n/a	n/a	7.0	1
Janssen Pharmaceutica NV US Patent					Assay Description ThermoFluor® experiments were carried out using instruments owned by Janssen Research and Discovery, L.L.C. through its acquisition of 3-Dimensio...				US Patent US9346782 (2016) BindingDB Entry DOI: 10.7270/Q2DB80PS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Artificial Sequence)	BDBM231225 (US9346782, 5) Show SMILES CC(C)C(O)(c1cncn1C)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1 Show InChI InChI=1S/C23H21Cl2N3O/c1-14(2)23(29,19-12-26-13-28(19)3)16-9-10-18-17(11-16)21(24)20(22(25)27-18)15-7-5-4-6-8-15/h4-14,29H,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	620	n/a	n/a	n/a	7.0	1
Janssen Pharmaceutica NV US Patent					Assay Description ThermoFluor® experiments were carried out using instruments owned by Janssen Research and Discovery, L.L.C. through its acquisition of 3-Dimensio...				US Patent US9346782 (2016) BindingDB Entry DOI: 10.7270/Q2DB80PS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Artificial Sequence)	BDBM231223 (US9346782, 3) Show SMILES Cn1cncc1C(O)(C1CC1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1 Show InChI InChI=1S/C23H19Cl2N3O/c1-28-13-26-12-19(28)23(29,15-7-8-15)16-9-10-18-17(11-16)21(24)20(22(25)27-18)14-5-3-2-4-6-14/h2-6,9-13,15,29H,7-8H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	890	n/a	n/a	n/a	7.0	1
Janssen Pharmaceutica NV US Patent					Assay Description ThermoFluor® experiments were carried out using instruments owned by Janssen Research and Discovery, L.L.C. through its acquisition of 3-Dimensio...				US Patent US9346782 (2016) BindingDB Entry DOI: 10.7270/Q2DB80PS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Artificial Sequence)	BDBM231224 (US9346782, 4) Show SMILES CCCCC(O)(c1cncn1C)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1 Show InChI InChI=1S/C24H23Cl2N3O/c1-3-4-12-24(30,20-14-27-15-29(20)2)17-10-11-19-18(13-17)22(25)21(23(26)28-19)16-8-6-5-7-9-16/h5-11,13-15,30H,3-4,12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	7.0	1
Janssen Pharmaceutica NV US Patent					Assay Description ThermoFluor® experiments were carried out using instruments owned by Janssen Research and Discovery, L.L.C. through its acquisition of 3-Dimensio...				US Patent US9346782 (2016) BindingDB Entry DOI: 10.7270/Q2DB80PS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Artificial Sequence)	BDBM231226 (US9346782, 6) Show SMILES CCC(O)(c1cncn1C)c1ccc2nc(OC)c(Cc3ccc(cc3)S(C)(=O)=O)c(Cl)c2c1 Show InChI InChI=1S/C25H26ClN3O4S/c1-5-25(30,22-14-27-15-29(22)2)17-8-11-21-19(13-17)23(26)20(24(28-21)33-3)12-16-6-9-18(10-7-16)34(4,31)32/h6-11,13-15,30H,5,12H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	7.0	1
Janssen Pharmaceutica NV US Patent					Assay Description ThermoFluor® experiments were carried out using instruments owned by Janssen Research and Discovery, L.L.C. through its acquisition of 3-Dimensio...				US Patent US9346782 (2016) BindingDB Entry DOI: 10.7270/Q2DB80PS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Artificial Sequence)	BDBM231228 (US9346782, 8) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(C#C)C1CN(C1)C(=O)OC(C)(C)C Show InChI InChI=1S/C29H28ClF3N2O4/c1-6-28(37,20-15-35(16-20)26(36)39-27(2,3)4)19-11-12-23-21(14-19)24(30)22(25(34-23)38-5)13-17-7-9-18(10-8-17)29(31,32)33/h1,7-12,14,20,37H,13,15-16H2,2-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	3.10E+3	n/a	n/a	n/a	7.0	1
Janssen Pharmaceutica NV US Patent					Assay Description ThermoFluor® experiments were carried out using instruments owned by Janssen Research and Discovery, L.L.C. through its acquisition of 3-Dimensio...				US Patent US9346782 (2016) BindingDB Entry DOI: 10.7270/Q2DB80PS
					More data for this Ligand-Target Pair