BDBM50287461 CHEMBL4171142

SMILES: CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccc(CC(C)C)c(c3)C#N)c(c2)C(F)(F)F)cc1

InChI Key: InChIKey=IDDOTRDVQFMFJR-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

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 2 hits for monomerid = 50287461   

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))	BDBM50287461 (CHEMBL4171142) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccc(CC(C)C)c(c3)C#N)c(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C28H27F3N2O3S/c1-4-37(35,36)24-10-5-19(6-11-24)14-27(34)33-23-9-12-25(26(16-23)28(29,30)31)21-8-7-20(13-18(2)3)22(15-21)17-32/h5-12,15-16,18H,4,13-14H2,1-3H3,(H,33,34)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Agonist activity at biotinylated RORgammat LBD (unknown origin) assessed as co-activator SRC1 peptide recruitment after 1 hr by dual FRET based LANCE...				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				3D Structure (crystal)
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50287461 (CHEMBL4171142) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccc(CC(C)C)c(c3)C#N)c(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C28H27F3N2O3S/c1-4-37(35,36)24-10-5-19(6-11-24)14-27(34)33-23-9-12-25(26(16-23)28(29,30)31)21-8-7-20(13-18(2)3)22(15-21)17-32/h5-12,15-16,18H,4,13-14H2,1-3H3,(H,33,34)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	<2.51E+4	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				3D Structure (crystal)