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SMILES: CCN(CC)c1nc2ccc(cc2c(Cl)c1Oc1ccccc1)C(O)(c1cncs1)c1cncn1C

InChI Key: InChIKey=VAUSKCYWXYGVQL-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 221234   

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))	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,Y502F] (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	16	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