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BDBM50287943 (E)-4-[(2R,6R)-6-(4-Chloro-6-methoxy-3-methyl-pyrazolo[3,4-b]quinolin-1-yl)-4-(2-nitro-phenylsulfanyl)-morpholin-2-yl]-1-phenyl-but-2-en-1-one::CHEMBL61161

SMILES: COc1ccc2nc3n(nc(C)c3c(Cl)c2c1)[C@H]1CN(C[C@H](O1)C=CCC(=O)c1ccccc1)Sc1ccccc1[N+]([O-])=O

InChI Key: InChIKey=VQZHNCOSIIVCMD-RNWIMVQKSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50287943   
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))
BDBM50287943
PNG
((E)-4-[(2R,6R)-6-(4-Chloro-6-methoxy-3-methyl-pyra...)
Show SMILES COc1ccc2nc3n(nc(C)c3c(Cl)c2c1)[C@H]1CN(C[C@H](O1)C=CCC(=O)c1ccccc1)Sc1ccccc1[N+]([O-])=O |w:24.28|
Show InChI InChI=1S/C32H28ClN5O5S/c1-20-30-31(33)24-17-22(42-2)15-16-25(24)34-32(30)37(35-20)29-19-36(44-28-14-7-6-12-26(28)38(40)41)18-23(43-29)11-8-13-27(39)21-9-4-3-5-10-21/h3-12,14-17,23,29H,13,18-19H2,1-2H3/t23-,29-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 4.70E+3n/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