BindingDB logo
myBDB logout

BDBM155448 US9006454, I90

SMILES: Cc1cc(C(O)=O)c2nc([nH]c2c1)-c1ccc(cc1)-c1ccc(NC(=O)C2CCNCC2)cc1

InChI Key: InChIKey=YRUJWAVORLHXJV-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 155448   
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))
BDBM155448
PNG
(US9006454, I90)
Show SMILES Cc1cc(C(O)=O)c2nc([nH]c2c1)-c1ccc(cc1)-c1ccc(NC(=O)C2CCNCC2)cc1
Show InChI InChI=1S/C27H26N4O3/c1-16-14-22(27(33)34)24-23(15-16)30-25(31-24)19-4-2-17(3-5-19)18-6-8-21(9-7-18)29-26(32)20-10-12-28-13-11-20/h2-9,14-15,20,28H,10-13H2,1H3,(H,29,32)(H,30,31)(H,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.69E+3n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair