Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM50510346'   

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))	BDBM50510346 (CHEMBL4575356) Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(c1cnc(C)n1C)c1cnc(C)n1C Show InChI InChI=1S/C28H32ClF3N6O2/c1-16-33-13-23(36(16)3)27(39,24-14-34-17(2)37(24)4)19-6-7-22-20(12-19)25(29)21(26(35-22)40-5)15-38-10-8-18(9-11-38)28(30,31)32/h6-7,12-14,18,39H,8-11,15H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	116	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-DNA binding domain-fused human full length RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as ...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50510346 (CHEMBL4575356) Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(c1cnc(C)n1C)c1cnc(C)n1C Show InChI InChI=1S/C28H32ClF3N6O2/c1-16-33-13-23(36(16)3)27(39,24-14-34-17(2)37(24)4)19-6-7-22-20(12-19)25(29)21(26(35-22)40-5)15-38-10-8-18(9-11-38)28(30,31)32/h6-7,12-14,18,39H,8-11,15H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	121	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-DNA binding domain-fused human RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as inhibition o...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50510346 (CHEMBL4575356) Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(c1cnc(C)n1C)c1cnc(C)n1C Show InChI InChI=1S/C28H32ClF3N6O2/c1-16-33-13-23(36(16)3)27(39,24-14-34-17(2)37(24)4)19-6-7-22-20(12-19)25(29)21(26(35-22)40-5)15-38-10-8-18(9-11-38)28(30,31)32/h6-7,12-14,18,39H,8-11,15H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Displacement of thermofluor from human recombinant N-terminal TEV cleavage site-fused-His-tagged RORgammat LBD expressed in Escherichia coli assessed...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair