BindingDB logo
myBDB logout

BDBM29034 cyanohydroxybutenamide, 24

SMILES: CC(=O)C(C#N)C(=O)Nc1ccc(c(Cl)c1)-c1ccccc1Cl

InChI Key: InChIKey=QMGYKHQZTXOTFK-UHFFFAOYSA-N

Data: 2 KI  2 IC50

PDB links: 1 PDB ID matches 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 = 29034   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM29034
PNG
(cyanohydroxybutenamide, 24)
Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(c(Cl)c1)-c1ccccc1Cl
Show InChI InChI=1S/C17H12Cl2N2O2/c1-10(22)14(9-20)17(23)21-11-6-7-13(16(19)8-11)12-4-2-3-5-15(12)18/h2-8,14H,1H3,(H,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEBI
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
2.70n/a 22n/an/an/an/an/an/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
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))
BDBM29034
PNG
(cyanohydroxybutenamide, 24)
Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(c(Cl)c1)-c1ccccc1Cl
Show InChI InChI=1S/C17H12Cl2N2O2/c1-10(22)14(9-20)17(23)21-11-6-7-13(16(19)8-11)12-4-2-3-5-15(12)18/h2-8,14H,1H3,(H,21,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEBI
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
2.05E+4 -6.39 1.65E+5n/an/an/an/a8.025



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
3D Structure (docked)