Compile Data Set for Download or QSAR

Found 68 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] (Homo sapiens (Human))	BDBM221256 (US9303015, 30a | US9303015, 30b | US9303015, 30c) Show SMILES Cn1cncc1C(O)(c1ccc(nc1)C(F)(F)F)c1ccc2nc(N3CCC3)c(Oc3ccc(Cl)cc3)c(Cl)c2c1 Show InChI InChI=1S/C29H22Cl2F3N5O2/c1-38-16-35-15-24(38)28(40,18-4-10-23(36-14-18)29(32,33)34)17-3-9-22-21(13-17)25(31)26(27(37-22)39-11-2-12-39)41-20-7-5-19(30)6-8-20/h3-10,13-16,40H,2,11-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.530	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221257 (US9303015, 31a | US9303015, 31b | US9303015, 31c) Show SMILES Cn1cncc1C(O)(c1ccc(nc1)C(F)(F)F)c1ccc2nc(N3CCC3)c(Oc3ccc(cc3)C#N)c(Cl)c2c1 Show InChI InChI=1S/C30H22ClF3N6O2/c1-39-17-36-16-25(39)29(41,20-6-10-24(37-15-20)30(32,33)34)19-5-9-23-22(13-19)26(31)27(28(38-23)40-11-2-12-40)42-21-7-3-18(14-35)4-8-21/h3-10,13,15-17,41H,2,11-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.720	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221256 (US9303015, 30a | US9303015, 30b | US9303015, 30c) Show SMILES Cn1cncc1C(O)(c1ccc(nc1)C(F)(F)F)c1ccc2nc(N3CCC3)c(Oc3ccc(Cl)cc3)c(Cl)c2c1 Show InChI InChI=1S/C29H22Cl2F3N5O2/c1-38-16-35-15-24(38)28(40,18-4-10-23(36-14-18)29(32,33)34)17-3-9-22-21(13-17)25(31)26(27(37-22)39-11-2-12-39)41-20-7-5-19(30)6-8-20/h3-10,13-16,40H,2,11-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	1.80	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221289 (US9303015, 22b | US9303015, 22c) Show SMILES OC(c1cnc[nH]1)(c1ccc(nc1)C(F)(F)F)c1ccc2nc(C#N)c(Oc3ccccc3)c(C#N)c2c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	2.90	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221258 (US9303015, 32a | US9303015, 32b | US9303015, 32c) Show SMILES Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(N3CCC3)c(Oc3ccc(cc3)C#N)c(Cl)c2c1 Show InChI InChI=1S/C30H23Cl2N5O2/c1-36-18-34-17-26(36)30(38,20-5-8-22(31)9-6-20)21-7-12-25-24(15-21)27(32)28(29(35-25)37-13-2-14-37)39-23-10-3-19(16-33)4-11-23/h3-12,15,17-18,38H,2,13-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	3.30	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221236 (US9303015, 10a | US9303015, 10b | US9303015, 10c) Show SMILES CCOc1nc2ccc(cc2c(Cl)c1Oc1ccccc1)C(O)(c1cncn1C)c1ccc(OC)nc1 Show InChI InChI=1S/C28H25ClN4O4/c1-4-36-27-26(37-20-8-6-5-7-9-20)25(29)21-14-18(10-12-22(21)32-27)28(34,23-16-30-17-33(23)2)19-11-13-24(35-3)31-15-19/h5-17,34H,4H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	3.40	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221257 (US9303015, 31a | US9303015, 31b | US9303015, 31c) Show SMILES Cn1cncc1C(O)(c1ccc(nc1)C(F)(F)F)c1ccc2nc(N3CCC3)c(Oc3ccc(cc3)C#N)c(Cl)c2c1 Show InChI InChI=1S/C30H22ClF3N6O2/c1-39-17-36-16-25(39)29(41,20-6-10-24(37-15-20)30(32,33)34)19-5-9-23-22(13-19)26(31)27(28(38-23)40-11-2-12-40)42-21-7-3-18(14-35)4-8-21/h3-10,13,15-17,41H,2,11-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	3.60	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221243 (US9303015, 17) Show SMILES COc1ccc(cn1)C(O)(c1cncn1C)c1ccc2nc(N(C)C)c(Oc3ccccc3)c(Cl)c2c1 Show InChI InChI=1S/C28H26ClN5O3/c1-33(2)27-26(37-20-8-6-5-7-9-20)25(29)21-14-18(10-12-22(21)32-27)28(35,23-16-30-17-34(23)3)19-11-13-24(36-4)31-15-19/h5-17,35H,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	4.10	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221250 (US9303015, 24) Show SMILES Cn1cncc1C(O)(c1ccc(nc1)C(F)(F)F)c1ccc2nc(C#N)c(Oc3ccc(Cl)cc3)c(c2c1)C(F)(F)F Show InChI InChI=1S/C28H16ClF6N5O2/c1-40-14-37-13-23(40)26(41,16-3-9-22(38-12-16)27(30,31)32)15-2-8-20-19(10-15)24(28(33,34)35)25(21(11-36)39-20)42-18-6-4-17(29)5-7-18/h2-10,12-14,41H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	4.20	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221246 (US9303015, 20) Show SMILES Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(C#N)c(Oc3ccccc3)c(C#N)c2c1 Show InChI InChI=1S/C28H18ClN5O2/c1-34-17-32-16-26(34)28(35,18-7-10-20(29)11-8-18)19-9-12-24-22(13-19)23(14-30)27(25(15-31)33-24)36-21-5-3-2-4-6-21/h2-13,16-17,35H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	5.70	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221258 (US9303015, 32a | US9303015, 32b | US9303015, 32c) Show SMILES Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(N3CCC3)c(Oc3ccc(cc3)C#N)c(Cl)c2c1 Show InChI InChI=1S/C30H23Cl2N5O2/c1-36-18-34-17-26(36)30(38,20-5-8-22(31)9-6-20)21-7-12-25-24(15-21)27(32)28(29(35-25)37-13-2-14-37)39-23-10-3-19(16-33)4-11-23/h3-12,15,17-18,38H,2,13-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	6.90	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221234 (US9303015, 8) Show SMILES CCN(CC)c1nc2ccc(cc2c(Cl)c1Oc1ccccc1)C(O)(c1cncs1)c1cncn1C Show InChI InChI=1S/C27H26ClN5O2S/c1-4-33(5-2)26-25(35-19-9-7-6-8-10-19)24(28)20-13-18(11-12-21(20)31-26)27(34,23-15-30-17-36-23)22-14-29-16-32(22)3/h6-17,34H,4-5H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	7.20	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221235 (US9303015, 9a | US9303015, 9b | US9303015, 9c) Show SMILES CCN(CC)c1nc2ccc(cc2c(Cl)c1Oc1ccc(F)cc1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C30H26ClF4N5O2/c1-4-40(5-2)28-27(42-21-10-8-20(32)9-11-21)26(31)22-14-18(6-12-23(22)38-28)29(41,25-16-36-17-39(25)3)19-7-13-24(37-15-19)30(33,34)35/h6-17,41H,4-5H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	8	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221232 (US9303015, 6a | US9303015, 6b | US9303015, 6c) Show SMILES CCN(CC)c1nc2ccc(cc2c(Cl)c1Oc1ccccc1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C30H27ClF3N5O2/c1-4-39(5-2)28-27(41-21-9-7-6-8-10-21)26(31)22-15-19(11-13-23(22)37-28)29(40,25-17-35-18-38(25)3)20-12-14-24(36-16-20)30(32,33)34/h6-18,40H,4-5H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	8.30	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221236 (US9303015, 10a | US9303015, 10b | US9303015, 10c) Show SMILES CCOc1nc2ccc(cc2c(Cl)c1Oc1ccccc1)C(O)(c1cncn1C)c1ccc(OC)nc1 Show InChI InChI=1S/C28H25ClN4O4/c1-4-36-27-26(37-20-8-6-5-7-9-20)25(29)21-14-18(10-12-22(21)32-27)28(34,23-16-30-17-33(23)2)19-11-13-24(35-3)31-15-19/h5-17,34H,4H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	8.5	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221256 (US9303015, 30a | US9303015, 30b | US9303015, 30c) Show SMILES Cn1cncc1C(O)(c1ccc(nc1)C(F)(F)F)c1ccc2nc(N3CCC3)c(Oc3ccc(Cl)cc3)c(Cl)c2c1 Show InChI InChI=1S/C29H22Cl2F3N5O2/c1-38-16-35-15-24(38)28(40,18-4-10-23(36-14-18)29(32,33)34)17-3-9-22-21(13-17)25(31)26(27(37-22)39-11-2-12-39)41-20-7-5-19(30)6-8-20/h3-10,13-16,40H,2,11-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	8.90	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221240 (US9303015, 14a | US9303015, 14b | US9303015, 14c) Show SMILES CCOc1nc2ccc(cc2c(Cl)c1Oc1ccc(F)cc1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C28H21ClF4N4O3/c1-3-39-26-25(40-19-8-6-18(30)7-9-19)24(29)20-12-16(4-10-21(20)36-26)27(38,23-14-34-15-37(23)2)17-5-11-22(35-13-17)28(31,32)33/h4-15,38H,3H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	10	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221231 (US9303015, 5a | US9303015, 5b | US9303015, 5c) Show SMILES CCN(CC)c1nc2ccc(cc2c(Cl)c1Oc1ccccc1)C(O)(c1cncn1C)c1ccc(OC)nc1 Show InChI InChI=1S/C30H30ClN5O3/c1-5-36(6-2)29-28(39-22-10-8-7-9-11-22)27(31)23-16-20(12-14-24(23)34-29)30(37,25-18-32-19-35(25)3)21-13-15-26(38-4)33-17-21/h7-19,37H,5-6H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	12	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221231 (US9303015, 5a | US9303015, 5b | US9303015, 5c) Show SMILES CCN(CC)c1nc2ccc(cc2c(Cl)c1Oc1ccccc1)C(O)(c1cncn1C)c1ccc(OC)nc1 Show InChI InChI=1S/C30H30ClN5O3/c1-5-36(6-2)29-28(39-22-10-8-7-9-11-22)27(31)23-16-20(12-14-24(23)34-29)30(37,25-18-32-19-35(25)3)21-13-15-26(38-4)33-17-21/h7-19,37H,5-6H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	12	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221253 (US9303015, 27a | US9303015, 27b | US9303015, 27c) Show SMILES CCN(CC)c1nc2ccc(cc2c(c1Oc1ccc(Cl)cc1)C(F)(F)F)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C31H26ClF6N5O2/c1-4-43(5-2)28-27(45-21-10-8-20(32)9-11-21)26(31(36,37)38)22-14-18(6-12-23(22)41-28)29(44,25-16-39-17-42(25)3)19-7-13-24(40-15-19)30(33,34)35/h6-17,44H,4-5H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	14	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221257 (US9303015, 31a | US9303015, 31b | US9303015, 31c) Show SMILES Cn1cncc1C(O)(c1ccc(nc1)C(F)(F)F)c1ccc2nc(N3CCC3)c(Oc3ccc(cc3)C#N)c(Cl)c2c1 Show InChI InChI=1S/C30H22ClF3N6O2/c1-39-17-36-16-25(39)29(41,20-6-10-24(37-15-20)30(32,33)34)19-5-9-23-22(13-19)26(31)27(28(38-23)40-11-2-12-40)42-21-7-3-18(14-35)4-8-21/h3-10,13,15-17,41H,2,11-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	14	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221230 (US9303015, 4) Show SMILES COc1ccc(cn1)C(O)(c1cncn1C)c1ccc2nc(Cl)c(Oc3ccccc3)c(Cl)c2c1 Show InChI InChI=1S/C26H20Cl2N4O3/c1-32-15-29-14-21(32)26(33,17-9-11-22(34-2)30-13-17)16-8-10-20-19(12-16)23(27)24(25(28)31-20)35-18-6-4-3-5-7-18/h3-15,33H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	14	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221229 (US9303015, 3a | US9303015, 3b | US9303015, 3c) Show SMILES CCN(CC)c1nc2ccc(cc2c(Cl)c1Oc1ccccc1)C(O)(c1cncn1C)c1ccc(Cl)cc1 Show InChI InChI=1S/C30H28Cl2N4O2/c1-4-36(5-2)29-28(38-23-9-7-6-8-10-23)27(32)24-17-21(13-16-25(24)34-29)30(37,26-18-33-19-35(26)3)20-11-14-22(31)15-12-20/h6-19,37H,4-5H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	17	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221260 (US9303015, 34) Show SMILES COCCN(C)c1nc2ccc(cc2c(Cl)c1Oc1ccccc1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C30H27ClF3N5O3/c1-38(13-14-41-3)28-27(42-21-7-5-4-6-8-21)26(31)22-15-19(9-11-23(22)37-28)29(40,25-17-35-18-39(25)2)20-10-12-24(36-16-20)30(32,33)34/h4-12,15-18,40H,13-14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	18	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221251 (US9303015, 25a | US9303015, 25b | US9303015, 25c) Show SMILES CCOc1nc2ccc(cc2c(c1Oc1ccc(Cl)cc1)C(F)(F)F)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C29H21ClF6N4O3/c1-3-42-26-25(43-19-8-6-18(30)7-9-19)24(29(34,35)36)20-12-16(4-10-21(20)39-26)27(41,23-14-37-15-40(23)2)17-5-11-22(38-13-17)28(31,32)33/h4-15,41H,3H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	20	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221240 (US9303015, 14a | US9303015, 14b | US9303015, 14c) Show SMILES CCOc1nc2ccc(cc2c(Cl)c1Oc1ccc(F)cc1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C28H21ClF4N4O3/c1-3-39-26-25(40-19-8-6-18(30)7-9-19)24(29)20-12-16(4-10-21(20)36-26)27(38,23-14-34-15-37(23)2)17-5-11-22(35-13-17)28(31,32)33/h4-15,38H,3H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	22	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221261 (US9303015, 35) Show SMILES CN(c1ccccc1)c1c(Cl)nc2ccc(cc2c1Cl)C(O)(c1cccnc1)c1cccc(Cl)c1 Show InChI InChI=1S/C28H20Cl3N3O/c1-34(22-10-3-2-4-11-22)26-25(30)23-16-19(12-13-24(23)33-27(26)31)28(35,20-8-6-14-32-17-20)18-7-5-9-21(29)15-18/h2-17,35H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	23	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221231 (US9303015, 5a | US9303015, 5b | US9303015, 5c) Show SMILES CCN(CC)c1nc2ccc(cc2c(Cl)c1Oc1ccccc1)C(O)(c1cncn1C)c1ccc(OC)nc1 Show InChI InChI=1S/C30H30ClN5O3/c1-5-36(6-2)29-28(39-22-10-8-7-9-11-22)27(31)23-16-20(12-14-24(23)34-29)30(37,25-18-32-19-35(25)3)21-13-15-26(38-4)33-17-21/h7-19,37H,5-6H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	26	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221249 (US9303015, 23) Show SMILES Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(C#N)c(Oc3ccc(F)cc3)c(Cl)c2c1 Show InChI InChI=1S/C27H17Cl2FN4O2/c1-34-15-32-14-24(34)27(35,16-2-5-18(28)6-3-16)17-4-11-22-21(12-17)25(29)26(23(13-31)33-22)36-20-9-7-19(30)8-10-20/h2-12,14-15,35H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	26	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221242 (US9303015, 16) Show SMILES CN(C)c1nc2ccc(cc2c(Cl)c1Oc1ccccc1)C(O)(c1cncn1C)c1ccc(Cl)cc1 Show InChI InChI=1S/C28H24Cl2N4O2/c1-33(2)27-26(36-21-7-5-4-6-8-21)25(30)22-15-19(11-14-23(22)32-27)28(35,24-16-31-17-34(24)3)18-9-12-20(29)13-10-18/h4-17,35H,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	31	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221245 (US9303015, 19) Show SMILES Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(C#N)c(Oc3ccccc3)c(Cl)c2c1 Show InChI InChI=1S/C27H18Cl2N4O2/c1-33-16-31-15-24(33)27(34,17-7-10-19(28)11-8-17)18-9-12-22-21(13-18)25(29)26(23(14-30)32-22)35-20-5-3-2-4-6-20/h2-13,15-16,34H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	32	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221258 (US9303015, 32a | US9303015, 32b | US9303015, 32c) Show SMILES Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(N3CCC3)c(Oc3ccc(cc3)C#N)c(Cl)c2c1 Show InChI InChI=1S/C30H23Cl2N5O2/c1-36-18-34-17-26(36)30(38,20-5-8-22(31)9-6-20)21-7-12-25-24(15-21)27(32)28(29(35-25)37-13-2-14-37)39-23-10-3-19(16-33)4-11-23/h3-12,15,17-18,38H,2,13-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	32	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221262 (US9303015, 36) Show SMILES CCOc1nc2ccc(cc2c(Cl)c1N(C)c1ccccc1)C(O)(c1cccnc1)c1cccc(Cl)c1 Show InChI InChI=1S/C30H25Cl2N3O2/c1-3-37-29-28(35(2)24-12-5-4-6-13-24)27(32)25-18-21(14-15-26(25)34-29)30(36,22-10-8-16-33-19-22)20-9-7-11-23(31)17-20/h4-19,36H,3H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	32	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221235 (US9303015, 9a | US9303015, 9b | US9303015, 9c) Show SMILES CCN(CC)c1nc2ccc(cc2c(Cl)c1Oc1ccc(F)cc1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C30H26ClF4N5O2/c1-4-40(5-2)28-27(42-21-10-8-20(32)9-11-21)26(31)22-14-18(6-12-23(22)38-28)29(41,25-16-36-17-39(25)3)19-7-13-24(37-15-19)30(33,34)35/h6-17,41H,4-5H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	33	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221241 (US9303015, 15a | US9303015, 15b | US9303015, 15c) Show SMILES COc1nc2ccc(cc2c(Cl)c1Oc1ccccc1)C(O)(c1cncn1C)c1ccc(Cl)cc1 Show InChI InChI=1S/C27H21Cl2N3O3/c1-32-16-30-15-23(32)27(33,17-8-11-19(28)12-9-17)18-10-13-22-21(14-18)24(29)25(26(31-22)34-2)35-20-6-4-3-5-7-20/h3-16,33H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	33	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221240 (US9303015, 14a | US9303015, 14b | US9303015, 14c) Show SMILES CCOc1nc2ccc(cc2c(Cl)c1Oc1ccc(F)cc1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C28H21ClF4N4O3/c1-3-39-26-25(40-19-8-6-18(30)7-9-19)24(29)20-12-16(4-10-21(20)36-26)27(38,23-14-34-15-37(23)2)17-5-11-22(35-13-17)28(31,32)33/h4-15,38H,3H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	34	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221233 (US9303015, 7) Show SMILES CCN(CC)c1nc2ccc(cc2c(Cl)c1Oc1ccccc1)C(O)(c1cccnc1)c1cccc(Cl)c1 Show InChI InChI=1S/C31H27Cl2N3O2/c1-3-36(4-2)30-29(38-25-13-6-5-7-14-25)28(33)26-19-22(15-16-27(26)35-30)31(37,23-11-9-17-34-20-23)21-10-8-12-24(32)18-21/h5-20,37H,3-4H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	34	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221264 (US9303015, 38) Show SMILES CN(c1ccccc1)c1c(Cl)nc2ccc(cc2c1Cl)C(O)(c1cncn1C)c1ccc(Cl)cc1 Show InChI InChI=1S/C27H21Cl3N4O/c1-33-16-31-15-23(33)27(35,17-8-11-19(28)12-9-17)18-10-13-22-21(14-18)24(29)25(26(30)32-22)34(2)20-6-4-3-5-7-20/h3-16,35H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	35	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221268 (US9303015, 42) Show SMILES OC(c1cccnc1)(c1cccc(Cl)c1)c1ccc2nc(Cl)c(Nc3ccccc3)c(Cl)c2c1 Show InChI InChI=1S/C27H18Cl3N3O/c28-20-8-4-6-17(14-20)27(34,19-7-5-13-31-16-19)18-11-12-23-22(15-18)24(29)25(26(30)33-23)32-21-9-2-1-3-10-21/h1-16,32,34H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	37	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221236 (US9303015, 10a | US9303015, 10b | US9303015, 10c) Show SMILES CCOc1nc2ccc(cc2c(Cl)c1Oc1ccccc1)C(O)(c1cncn1C)c1ccc(OC)nc1 Show InChI InChI=1S/C28H25ClN4O4/c1-4-36-27-26(37-20-8-6-5-7-9-20)25(29)21-14-18(10-12-22(21)32-27)28(34,23-16-30-17-33(23)2)19-11-13-24(35-3)31-15-19/h5-17,34H,4H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	39	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221228 (US9303015, 2a | US9303015, 2b | US9303015, 2c) Show SMILES CCOc1nc2ccc(cc2c(Cl)c1Oc1ccccc1)C(O)(c1cncn1C)c1ccc(Cl)cc1 Show InChI InChI=1S/C28H23Cl2N3O3/c1-3-35-27-26(36-21-7-5-4-6-8-21)25(30)22-15-19(11-14-23(22)32-27)28(34,24-16-31-17-33(24)2)18-9-12-20(29)13-10-18/h4-17,34H,3H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	41	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221232 (US9303015, 6a | US9303015, 6b | US9303015, 6c) Show SMILES CCN(CC)c1nc2ccc(cc2c(Cl)c1Oc1ccccc1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C30H27ClF3N5O2/c1-4-39(5-2)28-27(41-21-9-7-6-8-10-21)26(31)22-15-19(11-13-23(22)37-28)29(40,25-17-35-18-38(25)3)20-12-14-24(36-16-20)30(32,33)34/h6-18,40H,4-5H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	51	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221229 (US9303015, 3a | US9303015, 3b | US9303015, 3c) Show SMILES CCN(CC)c1nc2ccc(cc2c(Cl)c1Oc1ccccc1)C(O)(c1cncn1C)c1ccc(Cl)cc1 Show InChI InChI=1S/C30H28Cl2N4O2/c1-4-36(5-2)29-28(38-23-9-7-6-8-10-23)27(32)24-17-21(13-16-25(24)34-29)30(37,26-18-33-19-35(26)3)20-11-14-22(31)15-12-20/h6-19,37H,4-5H2,1-3H3	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221251 (US9303015, 25a | US9303015, 25b | US9303015, 25c) Show SMILES CCOc1nc2ccc(cc2c(c1Oc1ccc(Cl)cc1)C(F)(F)F)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C29H21ClF6N4O3/c1-3-42-26-25(43-19-8-6-18(30)7-9-19)24(29(34,35)36)20-12-16(4-10-21(20)39-26)27(41,23-14-37-15-40(23)2)17-5-11-22(38-13-17)28(31,32)33/h4-15,41H,3H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	61	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221259 (US9303015, 33) Show SMILES Cn1cncc1C(O)(c1ccc(nc1)C(F)(F)F)c1ccc2nc(N3CCCC3)c(Oc3ccc(cc3)C#N)c(Cl)c2c1 Show InChI InChI=1S/C31H24ClF3N6O2/c1-40-18-37-17-26(40)30(42,21-7-11-25(38-16-21)31(33,34)35)20-6-10-24-23(14-20)27(32)28(29(39-24)41-12-2-3-13-41)43-22-8-4-19(15-36)5-9-22/h4-11,14,16-18,42H,2-3,12-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	66	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221254 (US9303015, 28) Show SMILES CCN(CC)c1nc2ccc(cc2c(c1Oc1ccc(Cl)cc1)C(F)(F)F)C(O)(c1cncn1C)c1ccc(OC)nc1 Show InChI InChI=1S/C31H29ClF3N5O3/c1-5-40(6-2)29-28(43-22-11-9-21(32)10-12-22)27(31(33,34)35)23-15-19(7-13-24(23)38-29)30(41,25-17-36-18-39(25)3)20-8-14-26(42-4)37-16-20/h7-18,41H,5-6H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	72	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221253 (US9303015, 27a | US9303015, 27b | US9303015, 27c) Show SMILES CCN(CC)c1nc2ccc(cc2c(c1Oc1ccc(Cl)cc1)C(F)(F)F)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C31H26ClF6N5O2/c1-4-43(5-2)28-27(45-21-10-8-20(32)9-11-21)26(31(36,37)38)22-14-18(6-12-23(22)41-28)29(44,25-16-39-17-42(25)3)19-7-13-24(40-15-19)30(33,34)35/h6-17,44H,4-5H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	75	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221251 (US9303015, 25a | US9303015, 25b | US9303015, 25c) Show SMILES CCOc1nc2ccc(cc2c(c1Oc1ccc(Cl)cc1)C(F)(F)F)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C29H21ClF6N4O3/c1-3-42-26-25(43-19-8-6-18(30)7-9-19)24(29(34,35)36)20-12-16(4-10-21(20)39-26)27(41,23-14-37-15-40(23)2)17-5-11-22(38-13-17)28(31,32)33/h4-15,41H,3H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	80	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221235 (US9303015, 9a | US9303015, 9b | US9303015, 9c) Show SMILES CCN(CC)c1nc2ccc(cc2c(Cl)c1Oc1ccc(F)cc1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C30H26ClF4N5O2/c1-4-40(5-2)28-27(42-21-10-8-20(32)9-11-21)26(31)22-14-18(6-12-23(22)38-28)29(41,25-16-36-17-39(25)3)19-7-13-24(37-15-19)30(33,34)35/h6-17,41H,4-5H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	81	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518] (Homo sapiens (Human))	BDBM221228 (US9303015, 2a | US9303015, 2b | US9303015, 2c) Show SMILES CCOc1nc2ccc(cc2c(Cl)c1Oc1ccccc1)C(O)(c1cncn1C)c1ccc(Cl)cc1 Show InChI InChI=1S/C28H23Cl2N3O3/c1-3-35-27-26(36-21-7-5-4-6-8-21)25(30)22-15-19(11-14-23(22)32-27)28(34,24-16-31-17-33(24)2)18-9-12-20(29)13-10-18/h4-17,34H,3H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	84	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 US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 68 total )  |  Next  |  Last  >>

Jump to: