Identical Ligands in BindingDB

Found 4 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	koff s-1	kon M-1s-1	pH	Temp °C
Dihydroorotate dehydrogenase (quinone), mitochondrial   (412/412 = 100%)† (Plasmodium falciparum (isolate 3D7))	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 InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,10H,1H3,(H,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2.20E+4	-26.6	1.90E+5	n/a	n/a	n/a	n/a	8.0	25
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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial   (412/412 = 100%)† (Plasmodium falciparum (isolate 3D7))	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 InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,10H,1H3,(H,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2.34E+4	-26.4	1.90E+5	n/a	n/a	n/a	n/a	8.0	25
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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial   (412/412 = 100%)† (Plasmodium falciparum)	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 InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,10H,1H3,(H,17,19)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.14E+4	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 Plasmodium falciparum DHODH expressed in Escherichia coli BL21 (DE3) using L-dihydroorotate as substrate after 10 mins by DCIP dye redu...				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   (412/412 = 100%)† (Plasmodium falciparum (isolate 3D7))	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 InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,18H,1H3,(H,17,19)/b10-7-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article	n/a	n/a	1.91E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Plasmodium falciparum HIs6-tagged DHODH expressed in Escherichia coli DH5alpha using L-dihydroorotate as substrate by DCIP-based spectr...				Citation and Details Article DOI: 10.1007/s00044-010-9323-4 BindingDB Entry DOI: 10.7270/Q2JQ13W3
					More data for this Ligand-Target Pair				3D Structure (crystal)

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