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BDBM50403911 CHEMBL471945

SMILES: Nc1ncnc2n(cc(-c3ccccc3)c12)[C@@H](CO)c1ccccc1

InChI Key: InChIKey=VWFOFGYBQLNHQS-KRWDZBQOSA-N

Data: 3 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 3 hits for monomerid = 50403911   
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
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50403911
PNG
(CHEMBL471945)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)[C@@H](CO)c1ccccc1 |r|
Show InChI InChI=1S/C20H18N4O/c21-19-18-16(14-7-3-1-4-8-14)11-24(20(18)23-13-22-19)17(12-25)15-9-5-2-6-10-15/h1-11,13,17,25H,12H2,(H2,21,22,23)/t17-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 480n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of p60 c-Src tyrosine kinase activity


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50403911
PNG
(CHEMBL471945)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)[C@@H](CO)c1ccccc1 |r|
Show InChI InChI=1S/C20H18N4O/c21-19-18-16(14-7-3-1-4-8-14)11-24(20(18)23-13-22-19)17(12-25)15-9-5-2-6-10-15/h1-11,13,17,25H,12H2,(H2,21,22,23)/t17-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of v-Abl tyrosine kinase activity


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50403911
PNG
(CHEMBL471945)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)[C@@H](CO)c1ccccc1 |r|
Show InChI InChI=1S/C20H18N4O/c21-19-18-16(14-7-3-1-4-8-14)11-24(20(18)23-13-22-19)17(12-25)15-9-5-2-6-10-15/h1-11,13,17,25H,12H2,(H2,21,22,23)/t17-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 501n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair