Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM50044245'   

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)	BDBM50044245 (CHEMBL3314043) Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N(C([2H])([2H])C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])[2H])-c1cc(ccc1Cl)C(=O)NCC(C)(C)O Show InChI InChI=1S/C29H32Cl2FN3O3/c1-6-35(7-2)25-16-18(20-15-19(11-13-21(20)30)27(36)33-17-29(3,4)38)12-14-24(25)34(5)28(37)26-22(31)9-8-10-23(26)32/h8-16,38H,6-7,17H2,1-5H3,(H,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	<100	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Activity at RoRc in mouse CD4+ T cells assessed as inhibition of IL-17 production				J Med Chem 57: 5871-92 (2014) Article DOI: 10.1021/jm401901d BindingDB Entry DOI: 10.7270/Q2M0473Z
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50044245 (CHEMBL3314043) Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N(C([2H])([2H])C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])[2H])-c1cc(ccc1Cl)C(=O)NCC(C)(C)O Show InChI InChI=1S/C29H32Cl2FN3O3/c1-6-35(7-2)25-16-18(20-15-19(11-13-21(20)30)27(36)33-17-29(3,4)38)12-14-24(25)34(5)28(37)26-22(31)9-8-10-23(26)32/h8-16,38H,6-7,17H2,1-5H3,(H,33,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	<100	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inverse agonist activity at human RoRc-LBD expressed in cells assessed as TRAP-220 coactivator peptide recruitment				J Med Chem 57: 5871-92 (2014) Article DOI: 10.1021/jm401901d BindingDB Entry DOI: 10.7270/Q2M0473Z
					More data for this Ligand-Target Pair