BindingDB PrimarySearch

BDBM50365231 CHEMBL1738786::US9238653, Table 5, Compound 7

SMILES: Cc1cc(Nc2ccc(cc2)C(F)(F)F)n2nc(nc2n1)C(C)(F)F

InChI Key: InChIKey=CUCVTDOXQYMYKL-UHFFFAOYSA-N

Data: 8 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50365231
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM50365231 (CHEMBL1738786 \| US9238653, Table 5, Compound 7) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	38	n/a	n/a	n/a	n/a	8.0	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON US Patent					Assay Description For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...				US Patent US9238653 (2016) BindingDB Entry DOI: 10.7270/Q2D79954
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate Dehydrogenase (DHODH) (Rattus norvegicus (rat))	BDBM50365231 (CHEMBL1738786 \| US9238653, Table 5, Compound 7) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7.20E+3	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
Dihydroorotate dehydrogenase (Mus musculus)	BDBM50365231 (CHEMBL1738786 \| US9238653, Table 5, Compound 7) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.40E+4	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
Dihydroorotate dehydrogenase (quinone), mitochondrial (Schistosoma mansoni)	BDBM50365231 (CHEMBL1738786 \| US9238653, Table 5, Compound 7) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin (UniTo) Curated by ChEMBL					Assay Description Inhibition of Schistosoma mansoni DHODH				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111681
University of Turin (UniTo) Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM50365231 (CHEMBL1738786 \| US9238653, Table 5, Compound 7) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM50365231 (CHEMBL1738786 \| US9238653, Table 5, Compound 7) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human C-terminal hexa-His tagged DHODH expressed in Escherichia coli by DCIP reduction assay				J Med Chem 54: 5540-61 (2011) Article DOI: 10.1021/jm200592f BindingDB Entry DOI: 10.7270/Q21N81M0
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM50365231 (CHEMBL1738786 \| US9238653, Table 5, Compound 7) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin (UniTo) Curated by ChEMBL					Assay Description Inhibition of human DHODH				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111681
University of Turin (UniTo) Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM50365231 (CHEMBL1738786 \| US9238653, Table 5, Compound 7) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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