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BDBM50244478 (Z)-(2-(hydroxymethyl)-5-oxo-4-(quinolin-2-ylmethylene)-tetrahydrofuran-2-yl)methyl 4-methoxybenzoate::CHEMBL530337

SMILES: COc1ccc(cc1)C(=O)OCC1(CO)C\C(=C\c2ccc3ccccc3n2)C(=O)O1

InChI Key: InChIKey=WLOFBQGIOLFGEO-PDGQHHTCSA-N

Data: 2 KI

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 = 50244478   
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
RAS guanyl releasing protein 3


(Homo sapiens (Human))
BDBM50244478
PNG
((Z)-(2-(hydroxymethyl)-5-oxo-4-(quinolin-2-ylmethy...)
Show SMILES COc1ccc(cc1)C(=O)OCC1(CO)C\C(=C\c2ccc3ccccc3n2)C(=O)O1
Show InChI InChI=1S/C24H21NO6/c1-29-20-10-7-17(8-11-20)22(27)30-15-24(14-26)13-18(23(28)31-24)12-19-9-6-16-4-2-3-5-21(16)25-19/h2-12,26H,13-15H2,1H3/b18-12-
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.39E+3n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from RasGRP3 (unknown origin) expressed in cells


J Med Chem 51: 5371-86 (2008)


Article DOI: 10.1021/jm800380b
BindingDB Entry DOI: 10.7270/Q21V5DSQ
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50244478
PNG
((Z)-(2-(hydroxymethyl)-5-oxo-4-(quinolin-2-ylmethy...)
Show SMILES COc1ccc(cc1)C(=O)OCC1(CO)C\C(=C\c2ccc3ccccc3n2)C(=O)O1
Show InChI InChI=1S/C24H21NO6/c1-29-20-10-7-17(8-11-20)22(27)30-15-24(14-26)13-18(23(28)31-24)12-19-9-6-16-4-2-3-5-21(16)25-19/h2-12,26H,13-15H2,1H3/b18-12-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.94E+3n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from human recombinant PKCalpha expressed in Escherichia coli BL21-21-Gold (DE3)


J Med Chem 51: 5371-86 (2008)


Article DOI: 10.1021/jm800380b
BindingDB Entry DOI: 10.7270/Q21V5DSQ
More data for this
Ligand-Target Pair