BDBM15343 2-({2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]phenyl}carbamoyl)cyclopent-1-ene-1-carboxylic acid::CHEMBL157105::Compound 4

SMILES: OC(=O)C1=C(CCC1)C(=O)Nc1c(F)cc(cc1F)-c1cccc(OC(F)(F)F)c1

InChI Key: InChIKey=VTGXLCZUWFYELR-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 15343   

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))	BDBM15343 (2-({2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]phe...) Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1c(F)cc(cc1F)-c1cccc(OC(F)(F)F)c1 |t:3| Show InChI InChI=1S/C20H14F5NO4/c21-15-8-11(10-3-1-4-12(7-10)30-20(23,24)25)9-16(22)17(15)26-18(27)13-5-2-6-14(13)19(28)29/h1,3-4,7-9H,2,5-6H2,(H,26,27)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	33	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)
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM15343 (2-({2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]phe...) Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1c(F)cc(cc1F)-c1cccc(OC(F)(F)F)c1 |t:3| Show InChI InChI=1S/C20H14F5NO4/c21-15-8-11(10-3-1-4-12(7-10)30-20(23,24)25)9-16(22)17(15)26-18(27)13-5-2-6-14(13)19(28)29/h1,3-4,7-9H,2,5-6H2,(H,26,27)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH)				Bioorg Med Chem Lett 14: 55-8 (2003) BindingDB Entry DOI: 10.7270/Q2XS5TS2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM15343 (2-({2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]phe...) Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1c(F)cc(cc1F)-c1cccc(OC(F)(F)F)c1 |t:3| Show InChI InChI=1S/C20H14F5NO4/c21-15-8-11(10-3-1-4-12(7-10)30-20(23,24)25)9-16(22)17(15)26-18(27)13-5-2-6-14(13)19(28)29/h1,3-4,7-9H,2,5-6H2,(H,26,27)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	33	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				3D Structure (crystal)
Dihydroorotate Dehydrogenase (DHODH) (Rattus norvegicus (rat))	BDBM15343 (2-({2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]phe...) Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1c(F)cc(cc1F)-c1cccc(OC(F)(F)F)c1 |t:3| Show InChI InChI=1S/C20H14F5NO4/c21-15-8-11(10-3-1-4-12(7-10)30-20(23,24)25)9-16(22)17(15)26-18(27)13-5-2-6-14(13)19(28)29/h1,3-4,7-9H,2,5-6H2,(H,26,27)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	504	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Inhibitory activity against rat dihydroorotate dehydrogenase				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				3D Structure (crystal)
Dihydroorotate dehydrogenase (Mus musculus)	BDBM15343 (2-({2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]phe...) Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1c(F)cc(cc1F)-c1cccc(OC(F)(F)F)c1 |t:3| Show InChI InChI=1S/C20H14F5NO4/c21-15-8-11(10-3-1-4-12(7-10)30-20(23,24)25)9-16(22)17(15)26-18(27)13-5-2-6-14(13)19(28)29/h1,3-4,7-9H,2,5-6H2,(H,26,27)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Inhibitory activity against mouse dihydroorotate dehydrogenase				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				3D Structure (crystal)