Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM50239065'   

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))	BDBM50239065 (CHEMBL4083942) Show SMILES Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(C#N)c(-c3ccccc3)c(C#N)c2c1 Show InChI InChI=1S/C28H18ClN5O/c1-34-17-32-16-26(34)28(35,19-7-10-21(29)11-8-19)20-9-12-24-22(13-20)23(14-30)27(25(15-31)33-24)18-5-3-2-4-6-18/h2-13,16-17,35H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs...				Bioorg Med Chem Lett 27: 2047-2057 (2017) Article DOI: 10.1016/j.bmcl.2017.02.044 BindingDB Entry DOI: 10.7270/Q25H7JCJ
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50239065 (CHEMBL4083942) Show SMILES Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(C#N)c(-c3ccccc3)c(C#N)c2c1 Show InChI InChI=1S/C28H18ClN5O/c1-34-17-32-16-26(34)28(35,19-7-10-21(29)11-8-19)20-9-12-24-22(13-20)23(14-30)27(25(15-31)33-24)18-5-3-2-4-6-18/h2-13,16-17,35H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from recombinant human RORgammat LBD expressed in Escherichia coli BL21 (DE3) cells assessed as inhibition of co-activator SR...				Bioorg Med Chem Lett 27: 2047-2057 (2017) Article DOI: 10.1016/j.bmcl.2017.02.044 BindingDB Entry DOI: 10.7270/Q25H7JCJ
					More data for this Ligand-Target Pair