null

SMILES: Cn1cncc1C(O)(c1ccc(nc1)C(F)(F)F)c1ccc2nc(N3CCC3)c(Oc3ccc(Cl)cc3)c(Cl)c2c1

InChI Key: InChIKey=MDPNKAIDFYRNEN-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 221256   

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	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))	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,Y502F] (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	58	n/a	n/a	n/a	n/a	n/a	n/a
JANSSEN PHARMACEUTICA NV US Patent					Assay Description The reporter assay was performed by transiently transfecting HEK293T cells with 5 μg of pBIND-RORγt LBD or pBIND-RORγt LBD-AF2 and 5 &...				US Patent US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518,Y502F] (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	140	n/a	n/a	n/a	n/a	n/a	n/a
JANSSEN PHARMACEUTICA NV US Patent					Assay Description The reporter assay was performed by transiently transfecting HEK293T cells with 5 μg of pBIND-RORγt LBD or pBIND-RORγt LBD-AF2 and 5 &...				US Patent US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518,Y502F] (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	31	n/a	n/a	n/a	n/a	n/a	n/a
JANSSEN PHARMACEUTICA NV US Patent					Assay Description The reporter assay was performed by transiently transfecting HEK293T cells with 5 μg of pBIND-RORγt LBD or pBIND-RORγt LBD-AF2 and 5 &...				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	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