BDBM50287483 CHEMBL4173830

SMILES: CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(c(Cl)c2)-c2ccc(CC3CCN(CC3)C(=O)C(C)(C)C)cc2C(F)(F)F)cc1

InChI Key: InChIKey=DSUHTCDYHNKKDP-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 50287483   

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))	BDBM50287483 (CHEMBL4173830) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(c(Cl)c2)-c2ccc(CC3CCN(CC3)C(=O)C(C)(C)C)cc2C(F)(F)F)cc1 Show InChI InChI=1S/C34H38ClF3N2O4S/c1-5-45(43,44)26-10-6-22(7-11-26)20-31(41)39-25-9-13-28(30(35)21-25)27-12-8-24(19-29(27)34(36,37)38)18-23-14-16-40(17-15-23)32(42)33(2,3)4/h6-13,19,21,23H,5,14-18,20H2,1-4H3,(H,39,41)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	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...				ACS Med Chem Lett 9: 120-124 (2018) Article DOI: 10.1021/acsmedchemlett.7b00476 BindingDB Entry DOI: 10.7270/Q2Q81GM4
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Mus musculus)	BDBM50287483 (CHEMBL4173830) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(c(Cl)c2)-c2ccc(CC3CCN(CC3)C(=O)C(C)(C)C)cc2C(F)(F)F)cc1 Show InChI InChI=1S/C34H38ClF3N2O4S/c1-5-45(43,44)26-10-6-22(7-11-26)20-31(41)39-25-9-13-28(30(35)21-25)27-12-8-24(19-29(27)34(36,37)38)18-23-14-16-40(17-15-23)32(42)33(2,3)4/h6-13,19,21,23H,5,14-18,20H2,1-4H3,(H,39,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	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 CD positive T cells assessed as inhibition of Th17 cell differentiation by measuring 1L-17 release aft...				ACS Med Chem Lett 9: 120-124 (2018) Article DOI: 10.1021/acsmedchemlett.7b00476 BindingDB Entry DOI: 10.7270/Q2Q81GM4
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50287483 (CHEMBL4173830) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(c(Cl)c2)-c2ccc(CC3CCN(CC3)C(=O)C(C)(C)C)cc2C(F)(F)F)cc1 Show InChI InChI=1S/C34H38ClF3N2O4S/c1-5-45(43,44)26-10-6-22(7-11-26)20-31(41)39-25-9-13-28(30(35)21-25)27-12-8-24(19-29(27)34(36,37)38)18-23-14-16-40(17-15-23)32(42)33(2,3)4/h6-13,19,21,23H,5,14-18,20H2,1-4H3,(H,39,41)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inverse agonist activity at biotinylated RORgammat LBD (unknown origin) assessed as inhibition of N-(2-chloro-6-fluorobenzyl)-N-((2'-methoxy-[1,1'-bi...				ACS Med Chem Lett 9: 120-124 (2018) Article DOI: 10.1021/acsmedchemlett.7b00476 BindingDB Entry DOI: 10.7270/Q2Q81GM4
					More data for this Ligand-Target Pair