new BindingDB logo
myBDB logout

BDBM50287950 Benzoic acid (2S,5R)-5-(4-chloro-6-methoxy-3-methyl-pyrazolo[3,4-b]quinolin-1-yl)-2,5-dihydro-furan-2-ylmethyl ester::CHEMBL302851

SMILES: COc1ccc2nc3n(nc(C)c3c(Cl)c2c1)[C@@H]1O[C@H](COC(=O)c2ccccc2)C=C1

InChI Key: InChIKey=JMMGEOQYBXWNBZ-FXAWDEMLSA-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 = 50287950   
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
GTPase HRas


(Homo sapiens (Human))
BDBM50287950
PNG
(Benzoic acid (2S,5R)-5-(4-chloro-6-methoxy-3-methy...)
Show SMILES COc1ccc2nc3n(nc(C)c3c(Cl)c2c1)[C@@H]1O[C@H](COC(=O)c2ccccc2)C=C1 |c:34|
Show InChI InChI=1S/C24H20ClN3O4/c1-14-21-22(25)18-12-16(30-2)8-10-19(18)26-23(21)28(27-14)20-11-9-17(32-20)13-31-24(29)15-6-4-3-5-7-15/h3-12,17,20H,13H2,1-2H3/t17-,20+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 8.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of nucleotide exchange process of oncogenic Ras in vitro


Bioorg Med Chem Lett 6: 195-200 (1996)


Article DOI: 10.1016/0960-894X(95)00574-D
BindingDB Entry DOI: 10.7270/Q2G160TB
More data for this
Ligand-Target Pair