BDBM15341 3-({2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]phenyl}carbamoyl)thiophene-2-carboxylic acid::Compound 7

SMILES: OC(=O)c1sccc1C(=O)Nc1c(F)cc(cc1F)-c1cccc(OC(F)(F)F)c1

InChI Key: InChIKey=CGNHUSCKOHDSMR-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer. 1 PDB ID contains inhibitors having a similarity of 90% to 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 1 hit for monomerid = 15341   

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
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM15341 (3-({2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]phe...) Show SMILES OC(=O)c1sccc1C(=O)Nc1c(F)cc(cc1F)-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C19H10F5NO4S/c20-13-7-10(9-2-1-3-11(6-9)29-19(22,23)24)8-14(21)15(13)25-17(26)12-4-5-30-16(12)18(27)28/h1-8H,(H,25,26)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	8.0	30
4SC AG					Assay Description The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...				J Med Chem 49: 1239-47 (2006) Article DOI: 10.1021/jm0506975 BindingDB Entry DOI: 10.7270/Q2571988
					More data for this Ligand-Target Pair				3D Structure (crystal)