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BDBM50407985 CHEMBL2111978

SMILES: Clc1ccc(\C=C/c2ccc(NC(=O)C(C#N)C(=O)C3CC3)cc2)cc1

InChI Key: InChIKey=JRIYWFQBQWRXJN-UPHRSURJSA-N

Data: 2 IC50

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 = 50407985   
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


(Mus musculus)
BDBM50407985
PNG
(CHEMBL2111978)
Show SMILES Clc1ccc(\C=C/c2ccc(NC(=O)C(C#N)C(=O)C3CC3)cc2)cc1
Show InChI InChI=1S/C21H17ClN2O2/c22-17-9-3-14(4-10-17)1-2-15-5-11-18(12-6-15)24-21(26)19(13-23)20(25)16-7-8-16/h1-6,9-12,16,19H,7-8H2,(H,24,26)/b2-1-
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 22n/an/an/an/an/an/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
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50407985
PNG
(CHEMBL2111978)
Show SMILES Clc1ccc(\C=C/c2ccc(NC(=O)C(C#N)C(=O)C3CC3)cc2)cc1
Show InChI InChI=1S/C21H17ClN2O2/c22-17-9-3-14(4-10-17)1-2-15-5-11-18(12-6-15)24-21(26)19(13-23)20(25)16-7-8-16/h1-6,9-12,16,19H,7-8H2,(H,24,26)/b2-1-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/an/an/an/an/an/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
More data for this
Ligand-Target Pair