Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM50461074'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50461074 (CHEMBL4227729 | US10457637, Compound 52) Show SMILES CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(NCC2CCOCC2)c(c1)S(C)(=N)=O Show InChI InChI=1S/C25H37N3O4S2/c1-5-20-6-8-22(9-7-20)28(18-19(2)3)34(30,31)23-10-11-24(25(16-23)33(4,26)29)27-17-21-12-14-32-15-13-21/h6-11,16,19,21,26-27H,5,12-15,17-18H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Nestle Skin Health Curated by ChEMBL					Assay Description Inverse agonist activity at RORgamma (unknown origin) expressed in human HeLa-derived HG5LN cells transfected with the GAL4 DNA-binding domain fused ...				Bioorg Med Chem Lett 28: 1269-1273 (2018) Article DOI: 10.1016/j.bmcl.2018.03.041 BindingDB Entry DOI: 10.7270/Q2WD437Q
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50461074 (CHEMBL4227729 | US10457637, Compound 52) Show SMILES CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(NCC2CCOCC2)c(c1)S(C)(=N)=O Show InChI InChI=1S/C25H37N3O4S2/c1-5-20-6-8-22(9-7-20)28(18-19(2)3)34(30,31)23-10-11-24(25(16-23)33(4,26)29)27-17-21-12-14-32-15-13-21/h6-11,16,19,21,26-27H,5,12-15,17-18H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia 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
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description The RORγ transactivation model was developed from the line HG5LN, which is a HeLa line that stably expresses a luciferase reporter gene controll...				US Patent US10457637 (2019) BindingDB Entry DOI: 10.7270/Q2WS8WMG
					More data for this Ligand-Target Pair