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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase V-ABL' and Ligand = 'BDBM50292496'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase V-ABL


(Abelson murine leukemia virus)
BDBM50292496
PNG
(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COC(=O)c2ccc(cc2)S(=O)(=O)Nc2ccccc2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C23H22N6O7S/c24-20-17-21(26-11-25-20)29(12-27-17)22-19(31)18(30)16(36-22)10-35-23(32)13-6-8-15(9-7-13)37(33,34)28-14-4-2-1-3-5-14/h1-9,11-12,16,18-19,22,28,30-31H,10H2,(H2,24,25,26)/t16-,18-,19-,22-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Abelson murine leukemia virus p60 v-abl


J Nat Prod 55: 1529-1560 (1992)


Article DOI: 10.1021/np50089a001
BindingDB Entry DOI: 10.7270/Q2J966CC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase V-ABL


(Abelson murine leukemia virus)
BDBM50292496
PNG
(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COC(=O)c2ccc(cc2)S(=O)(=O)Nc2ccccc2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C23H22N6O7S/c24-20-17-21(26-11-25-20)29(12-27-17)22-19(31)18(30)16(36-22)10-35-23(32)13-6-8-15(9-7-13)37(33,34)28-14-4-2-1-3-5-14/h1-9,11-12,16,18-19,22,28,30-31H,10H2,(H2,24,25,26)/t16-,18-,19-,22-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



Smith Kline& French Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p60-vabl tyrosine kinase isolated from Abelson murine leukemia virus (A-MuLV)


J Med Chem 31: 1762-7 (1988)


Article DOI: 10.1021/jm00117a015
BindingDB Entry DOI: 10.7270/Q2CV4JB8
More data for this
Ligand-Target Pair