BDBM50044146 CHEMBL3314014

SMILES: CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(Oc3ccc(Cl)cc3C(F)(F)F)s2)-c2cccc(c2)C#N)cc1

InChI Key: InChIKey=WXIRSECPLCRIQE-UHFFFAOYSA-N

Data: 3 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50044146   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50044146 (CHEMBL3314014) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(Oc3ccc(Cl)cc3C(F)(F)F)s2)-c2cccc(c2)C#N)cc1 Show InChI InChI=1S/C27H19ClF3N3O4S2/c1-2-40(36,37)20-9-6-16(7-10-20)13-23(35)33-26-34-24(18-5-3-4-17(12-18)15-32)25(39-26)38-22-11-8-19(28)14-21(22)27(29,30)31/h3-12,14H,2,13H2,1H3,(H,33,34,35)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inverse agonist activity at human RoRc-LBD fusion protein with GST expressed in BL-21 (BL3) cells assessed as SRC1 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
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50044146 (CHEMBL3314014) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(Oc3ccc(Cl)cc3C(F)(F)F)s2)-c2cccc(c2)C#N)cc1 Show InChI InChI=1S/C27H19ClF3N3O4S2/c1-2-40(36,37)20-9-6-16(7-10-20)13-23(35)33-26-34-24(18-5-3-4-17(12-18)15-32)25(39-26)38-22-11-8-19(28)14-21(22)27(29,30)31/h3-12,14H,2,13H2,1H3,(H,33,34,35)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	158	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Activity at human RoRc in human Jurkat cells assessed as inhibition of IL-17 promoter				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 (RORC) (Homo sapiens (Human))	BDBM50044146 (CHEMBL3314014) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(Oc3ccc(Cl)cc3C(F)(F)F)s2)-c2cccc(c2)C#N)cc1 Show InChI InChI=1S/C27H19ClF3N3O4S2/c1-2-40(36,37)20-9-6-16(7-10-20)13-23(35)33-26-34-24(18-5-3-4-17(12-18)15-32)25(39-26)38-22-11-8-19(28)14-21(22)27(29,30)31/h3-12,14H,2,13H2,1H3,(H,33,34,35)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inverse agonist activity at APC-labeled RORgammat-LBD (unknown origin) assessed as inhibition of N-(2-chloro-6-fluorobenzyl)-N-((2'-methoxy-[1,1'-bip...				Bioorg Med Chem 23: 5293-302 (2015) BindingDB Entry DOI: 10.7270/Q27W6DZJ
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Mus musculus)	BDBM50044146 (CHEMBL3314014) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(Oc3ccc(Cl)cc3C(F)(F)F)s2)-c2cccc(c2)C#N)cc1 Show InChI InChI=1S/C27H19ClF3N3O4S2/c1-2-40(36,37)20-9-6-16(7-10-20)13-23(35)33-26-34-24(18-5-3-4-17(12-18)15-32)25(39-26)38-22-11-8-19(28)14-21(22)27(29,30)31/h3-12,14H,2,13H2,1H3,(H,33,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in mouse Th17 cells assessed as inhibition of IL-17 production after 3 days by ELISA				Bioorg Med Chem 23: 5293-302 (2015) BindingDB Entry DOI: 10.7270/Q27W6DZJ
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50044146 (CHEMBL3314014) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(Oc3ccc(Cl)cc3C(F)(F)F)s2)-c2cccc(c2)C#N)cc1 Show InChI InChI=1S/C27H19ClF3N3O4S2/c1-2-40(36,37)20-9-6-16(7-10-20)13-23(35)33-26-34-24(18-5-3-4-17(12-18)15-32)25(39-26)38-22-11-8-19(28)14-21(22)27(29,30)31/h3-12,14H,2,13H2,1H3,(H,33,34,35)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inverse agonist activity at APC-labeled RORgammat-LBD (unknown origin) assessed as inhibition of europium-labeled SRC1 recruitment after 1 hr by dual...				Bioorg Med Chem 23: 5293-302 (2015) BindingDB Entry DOI: 10.7270/Q27W6DZJ
					More data for this Ligand-Target Pair