Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM50235620'   

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 (Mus musculus)	BDBM50235620 (CHEMBL4063381) Show SMILES Fc1cccc(CC2=N[C@@H](CCCCN3C[C@H](Cc4ccccc4)N(CCc4ccccc4)C3=S)CN2)c1 |r,t:7| Show InChI InChI=1S/C32H37FN4S/c33-28-15-9-14-27(20-28)22-31-34-23-29(35-31)16-7-8-18-36-24-30(21-26-12-5-2-6-13-26)37(32(36)38)19-17-25-10-3-1-4-11-25/h1-6,9-15,20,29-30H,7-8,16-19,21-24H2,(H,34,35)/t29-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Torrey Pines Institute for Molecular Studies Curated by ChEMBL					Assay Description Antagonist activity at mouse Gal4-fused DBD RORgamma LBD (Pro-261-end) expressed in TRex-CHOK1 cells after 20 hrs by luciferase reporter gene assay				Bioorg Med Chem Lett 27: 1608-1610 (2017) Article DOI: 10.1016/j.bmcl.2017.02.014 BindingDB Entry DOI: 10.7270/Q29W0HRF
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