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BDBM231629 IDI-6273

SMILES: CCOc1cccc(=O)c2c(C)n(Cc3ccc(Cl)cc3)c(C)c12

InChI Key: InChIKey=PTQJXFLYSQXYEP-UHFFFAOYSA-N

Data: 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 = 231629   
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))
BDBM231629
PNG
(IDI-6273)
Show SMILES CCOc1cccc(=O)c2c(C)n(Cc3ccc(Cl)cc3)c(C)c12
Show InChI InChI=1S/C20H20ClNO2/c1-4-24-18-7-5-6-17(23)19-13(2)22(14(3)20(18)19)12-15-8-10-16(21)11-9-15/h5-11H,4,12H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Harvard School of Public Health



Assay Description
Substrate-dependent inhibition of recombinant PfDHODH protein was assessed in an in vitro assay in 384-well clear plates (Corning 3702) as described ...


J Biol Chem 289: 17980-95 (2014)


Article DOI: 10.1074/jbc.M114.558353
BindingDB Entry DOI: 10.7270/Q27P8X8G
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Plasmodium falciparum)
BDBM231629
PNG
(IDI-6273)
Show SMILES CCOc1cccc(=O)c2c(C)n(Cc3ccc(Cl)cc3)c(C)c12
Show InChI InChI=1S/C20H20ClNO2/c1-4-24-18-7-5-6-17(23)19-13(2)22(14(3)20(18)19)12-15-8-10-16(21)11-9-15/h5-11H,4,12H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 1.35E+4n/an/an/an/an/an/a



Harvard School of Public Health



Assay Description
Substrate-dependent inhibition of recombinant PfDHODH protein was assessed in an in vitro assay in 384-well clear plates (Corning 3702) as described ...


J Biol Chem 289: 17980-95 (2014)


Article DOI: 10.1074/jbc.M114.558353
BindingDB Entry DOI: 10.7270/Q27P8X8G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)