BindingDB logo
myBDB logout

BDBM50313602 5-(methyl(pyridin-3-ylmethyl)amino)-2-propionamidobenzoic acid::5-[methyl(pyridin-3-ylmethyl)amino]-2-(propanoylamino)benzoic acid::CHEMBL1084927

SMILES: CCC(=O)Nc1ccc(cc1C(O)=O)N(C)Cc1cccnc1

InChI Key: InChIKey=GXDVHWJUYDHZKB-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50313602   
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))
BDBM50313602
PNG
(5-(methyl(pyridin-3-ylmethyl)amino)-2-propionamido...)
Show SMILES CCC(=O)Nc1ccc(cc1C(O)=O)N(C)Cc1cccnc1
Show InChI InChI=1S/C17H19N3O3/c1-3-16(21)19-15-7-6-13(9-14(15)17(22)23)20(2)11-12-5-4-8-18-10-12/h4-10H,3,11H2,1-2H3,(H,19,21)(H,22,23)
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/an/a 5.50E+3n/an/an/an/an/an/a



Sanofi-aventis

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DHODH by using blue indicator dye DCIP


Bioorg Med Chem Lett 20: 1981-4 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)