BDBM16111 2-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}cyclopent-1-ene-1-carboxylic acid::Biphenyl-4-ylcarbamoyl Cyclopentene Analog 2::CHEMBL197194

SMILES: COc1cccc(c1)-c1ccc(NC(=O)C2=C(CCC2)C(O)=O)c(F)c1

InChI Key: InChIKey=XPRDUGXOWVXZLL-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer. 2 PDB IDs contain this monomer as substructures. 2 PDB IDs contain 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 2 hits for monomerid = 16111   

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))	BDBM16111 (2-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}c...) Show SMILES COc1cccc(c1)-c1ccc(NC(=O)C2=C(CCC2)C(O)=O)c(F)c1 |t:16| Show InChI InChI=1S/C20H18FNO4/c1-26-14-5-2-4-12(10-14)13-8-9-18(17(21)11-13)22-19(23)15-6-3-7-16(15)20(24)25/h2,4-5,8-11H,3,6-7H2,1H3,(H,22,23)(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	134	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Inhibition of N-terminally truncated recombinant human dihydroorotate dehydrogenase using in vitro enzyme assay				Bioorg Med Chem Lett 15: 4854-7 (2005) Article DOI: 10.1016/j.bmcl.2005.07.053 BindingDB Entry DOI: 10.7270/Q2HX1C7N
					More data for this Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH) (Homo sapiens (Human))	BDBM16111 (2-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}c...) Show SMILES COc1cccc(c1)-c1ccc(NC(=O)C2=C(CCC2)C(O)=O)c(F)c1 |t:16| Show InChI InChI=1S/C20H18FNO4/c1-26-14-5-2-4-12(10-14)13-8-9-18(17(21)11-13)22-19(23)15-6-3-7-16(15)20(24)25/h2,4-5,8-11H,3,6-7H2,1H3,(H,22,23)(H,24,25)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	134	n/a	n/a	n/a	n/a	8.0	25
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...				Bioorg Med Chem Lett 16: 267-70 (2006) Article DOI: 10.1016/j.bmcl.2005.10.011 BindingDB Entry DOI: 10.7270/Q2CJ8BQ4
					More data for this Ligand-Target Pair				3D Structure (docked)