Affinity Data by PDB ID

PDB code 1D3H

Identical Ligands in BindingDB

Found 27 hits Enzyme Inhibition Constant Data
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Dihydroorotate dehydrogenase (quinone), mitochondrial (367/367 = 100%)^† (Homo sapiens (Human))	BDBM14712 ((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...) Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	30	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
University of Leeds					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 50: 186-91 (2007) Article DOI: 10.1021/jm060687j BindingDB Entry DOI: 10.7270/Q2T43RB5
University of Leeds					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial (367/367 = 100%)^† (Homo sapiens (Human))	BDBM14712 ((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...) Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	32	n/a	261	n/a	n/a	n/a	n/a	n/a	n/a
University of Leeds					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 52: 2683-93 (2009) Article DOI: 10.1021/jm800963t BindingDB Entry DOI: 10.7270/Q2PN93ZK
University of Leeds					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial (367/367 = 100%)^† (Homo sapiens (Human))	BDBM14712 ((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...) Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Allergan Inc. Curated by ChEMBL					Assay Description Inhibition of dihydroorotate dehydrogenase				J Med Chem 44: 281-97 (2001) BindingDB Entry DOI: 10.7270/Q2NP2541
Allergan Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial (326/366 = 89%)^† (Rattus norvegicus (rat))	BDBM14712 ((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...) Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	9	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
4SC AG Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial (326/366 = 89%)^† (Rattus norvegicus (rat))	BDBM14712 ((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...) Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
Hoechst Marion Roussel Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial (326/366 = 89%)^† (Rattus norvegicus (rat))	BDBM50018011 (Aubagio \| CHEBI:68540 \| HMR-1726 \| TERIFLUNOMIDE) Show SMILES C\C(O)=C(/C#N)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center at Dallas Curated by ChEMBL					Assay Description Inhibition of rat DHODH (amino acid residues 30 to 396) expressed in Escherichia coli BL21 cells assessed as orotic acid production using dihydroorot...				J Med Chem 57: 5381-94 (2014) Article DOI: 10.1021/jm500481t BindingDB Entry DOI: 10.7270/Q2WM1FZ6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial (326/366 = 89%)^† (Rattus norvegicus (rat))	BDBM14712 ((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...) Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Torino Curated by ChEMBL					Assay Description Inhibition of DHODH in Wistar rat liver homogenates by DCIP reduction assay				Eur J Med Chem 46: 383-92 (2010) Article DOI: 10.1016/j.ejmech.2010.10.029 BindingDB Entry DOI: 10.7270/Q2SQ90NX
Universit£ di Torino Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial (326/366 = 89%)^† (Rattus norvegicus (rat))	BDBM14712 ((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...) Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of dihydroorotate dehydrogenase in Wistar rat liver mitochondrial/microsomal membranes measured for 5 mins by 2,6-dichlorophenolindophenol...				Eur J Med Chem 49: 102-9 (2012) Article DOI: 10.1016/j.ejmech.2011.12.038 BindingDB Entry DOI: 10.7270/Q2H995NC
Universit£ degli Studi di Torino Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial (326/366 = 89%)^† (Rattus norvegicus (rat))	BDBM14712 ((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...) Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of rat dihydroorotate dehydrogenase				Bioorg Med Chem Lett 21: 7268-72 (2011) Article DOI: 10.1016/j.bmcl.2011.10.052 BindingDB Entry DOI: 10.7270/Q2N87B6R
Rhône-Poulenc Rorer Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial (367/367 = 100%)^† (Homo sapiens (Human))	BDBM50018011 (Aubagio \| CHEBI:68540 \| HMR-1726 \| TERIFLUNOMIDE) Show SMILES C\C(O)=C(/C#N)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	8.0	n/a
Chinese Academy of Sciences					Assay Description Recombinant human DHODH (final enzyme concentration between 20 and 60 nM in the assay well) were incubated at 37 �C in 50 mM Tris-HCl, 0.1% Triton X-...				Chem Biol Drug Des 86: 626-36 (2015) Article DOI: 10.1111/cbdd.12530 BindingDB Entry DOI: 10.7270/Q2JH3JXM
Chinese Academy of Sciences					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial (323/366 = 88%)^† (Mus musculus)	BDBM14712 ((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...) Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse				J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX
Hoechst Marion Roussel Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial (367/367 = 100%)^† (Homo sapiens (Human))	BDBM14712 ((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...) Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Bioreactor Engineering Curated by ChEMBL					Assay Description Inhibition of human DHODH expressed in Escherichia coli BL21(DE3) using L-dihydroorotate as substrate after 10 mins by DCIP dye reduction assay				J Med Chem 55: 8341-9 (2012) Article DOI: 10.1021/jm300630p BindingDB Entry DOI: 10.7270/Q2XP762X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial (367/367 = 100%)^† (Homo sapiens (Human))	BDBM14712 ((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...) Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	137	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Bioreactor Engineering Curated by ChEMBL					Assay Description Inhibition of N-terminal His10-tagged human DHODH (Met30 to Arg396) expressed in Escherichia coli BL21 (DE3) using dihydroorotate as substrate measur...				J Med Chem 56: 7911-24 (2013) Article DOI: 10.1021/jm400938g BindingDB Entry DOI: 10.7270/Q2S183XG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial (323/366 = 88%)^† (Mus musculus)	BDBM50018011 (Aubagio \| CHEBI:68540 \| HMR-1726 \| TERIFLUNOMIDE) Show SMILES C\C(O)=C(/C#N)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center at Dallas Curated by ChEMBL					Assay Description Inhibition of mouse DHODH (amino acid residues 30 to 396) expressed in Escherichia coli BL21 cells assessed as orotic acid production using dihydroor...				J Med Chem 57: 5381-94 (2014) Article DOI: 10.1021/jm500481t BindingDB Entry DOI: 10.7270/Q2WM1FZ6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial (323/366 = 88%)^† (Mus musculus)	BDBM14712 ((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...) Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	156	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
4SC AG Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial (367/367 = 100%)^† (Homo sapiens (Human))	BDBM50018011 (Aubagio \| CHEBI:68540 \| HMR-1726 \| TERIFLUNOMIDE) Show SMILES C\C(O)=C(/C#N)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	163	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Techology Curated by ChEMBL					Assay Description Inhibition of human DHODH using dihydroorotate substrate by DCIP assay				J Med Chem 58: 1123-39 (2015) Article DOI: 10.1021/jm501127s BindingDB Entry DOI: 10.7270/Q21C1ZK9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial (367/367 = 100%)^† (Homo sapiens (Human))	BDBM14712 ((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...) Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Immunosuppressive activity of the compound expressed as ability to inhibit human recombinant dihydroorotate dehydrogenase (DHODH)				Bioorg Med Chem Lett 8: 2203-8 (1999) BindingDB Entry DOI: 10.7270/Q2QN65X4
Novartis Pharma AG Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial (367/367 = 100%)^† (Homo sapiens (Human))	BDBM50018011 (Aubagio \| CHEBI:68540 \| HMR-1726 \| TERIFLUNOMIDE) Show SMILES C\C(O)=C(/C#N)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center at Dallas Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged human DHODH (amino acid residues 30 to 396) expressed in Escherichia coli BL21 cells assessed as orotic acid pro...				J Med Chem 57: 5381-94 (2014) Article DOI: 10.1021/jm500481t BindingDB Entry DOI: 10.7270/Q2WM1FZ6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial (367/367 = 100%)^† (Homo sapiens (Human))	BDBM14712 ((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...) Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS Pharma, Inc.					Assay Description Spectrophotometric assay using crude human, recombinant DHODHase.				Bioorg Chem 25: 233-238 (1997) BindingDB Entry DOI: 10.7270/Q2W37TVH
NOVARTIS Pharma, Inc.					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial (367/367 = 100%)^† (Homo sapiens (Human))	BDBM50018011 (Aubagio \| CHEBI:68540 \| HMR-1726 \| TERIFLUNOMIDE) Show SMILES C\C(O)=C(/C#N)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	356	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human DHODH assessed as decrease in DCIP using dihydroorotate as substrate measured every 30 seconds for 6 mins				Bioorg Med Chem Lett 26: 3064-6 (2016) Article DOI: 10.1016/j.bmcl.2016.05.016 BindingDB Entry DOI: 10.7270/Q2GM8972
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial (367/367 = 100%)^† (Homo sapiens (Human))	BDBM50018011 (Aubagio \| CHEBI:68540 \| HMR-1726 \| TERIFLUNOMIDE) Show SMILES C\C(O)=C(/C#N)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	388	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human DHODH (31 to 395 residues) expressed in Escherichia coli BL21(DE3) assessed as inhibition of DC...				J Med Chem 61: 6034-6055 (2018) Article DOI: 10.1021/acs.jmedchem.8b00373 BindingDB Entry DOI: 10.7270/Q24X5BBP
University of Turin Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial (367/367 = 100%)^† (Homo sapiens (Human))	BDBM14712 ((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...) Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	420	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
4SC AG Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial (367/367 = 100%)^† (Homo sapiens (Human))	BDBM14712 ((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...) Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB PubMed	n/a	n/a	435	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
4SC AG Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial (367/367 = 100%)^† (Homo sapiens (Human))	BDBM50018011 (Aubagio \| CHEBI:68540 \| HMR-1726 \| TERIFLUNOMIDE) Show SMILES C\C(O)=C(/C#N)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center at Dallas Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged human DHODH (amino acid residues 30 to 396) expressed in Escherichia coli BL21 cells assessed as orotic acid pro...				J Med Chem 57: 5381-94 (2014) Article DOI: 10.1021/jm500481t BindingDB Entry DOI: 10.7270/Q2WM1FZ6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial (367/367 = 100%)^† (Homo sapiens (Human))	BDBM50018011 (Aubagio \| CHEBI:68540 \| HMR-1726 \| TERIFLUNOMIDE) Show SMILES C\C(O)=C(/C#N)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut Pasteur Curated by ChEMBL					Assay Description Inhibition of human recombinant DHODH				J Med Chem 58: 5579-98 (2015) Article DOI: 10.1021/acs.jmedchem.5b00606 BindingDB Entry DOI: 10.7270/Q20V8FJT
Institut Pasteur Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial (367/367 = 100%)^† (Homo sapiens (Human))	BDBM14712 ((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...) Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human dihydroorotate dehydrogenase				Bioorg Med Chem Lett 21: 7268-72 (2011) Article DOI: 10.1016/j.bmcl.2011.10.052 BindingDB Entry DOI: 10.7270/Q2N87B6R
Rhône-Poulenc Rorer Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial (367/367 = 100%)^† (Homo sapiens (Human))	BDBM50018011 (Aubagio \| CHEBI:68540 \| HMR-1726 \| TERIFLUNOMIDE) Show SMILES C\C(O)=C(/C#N)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut Pasteur Curated by ChEMBL					Assay Description Inhibition of His-tagged human DHODH assessed as reduction of DCIP by spectrophotometry				J Med Chem 58: 860-77 (2015) Article DOI: 10.1021/jm501446r BindingDB Entry DOI: 10.7270/Q2K9396J
Institut Pasteur Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

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_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output