null

SMILES: Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(N3CCC3)c(Oc3ccc(cc3)C#N)c(Cl)c2c1

InChI Key: InChIKey=CBOYVDJPUOJMBW-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 221258   

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))	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))	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,Y502F] (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	66	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))	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	72	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))	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	120	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))	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