null

SMILES: CCN(CC)c1nc2ccc(cc2c(Cl)c1Oc1ccccc1)C(O)(c1cncn1C)c1ccc(OC)nc1

InChI Key: InChIKey=OBAXSFJDXZIJNI-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 221231   

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,Y502F] (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	100	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))	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	39	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))	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))	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,Y502F] (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	28	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