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BDBM50292494 CHEMBL485064::{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[hydroxy({[hydroxy(phenoxy)phosphoryl]oxy})phosphoryl]oxy})phosphinic acid

SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)Oc2ccccc2)[C@@H](O)[C@H]1O

InChI Key: InChIKey=QGACYUJEBNEZKO-XNIJJKJLSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50292494   
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
Tyrosine-protein kinase V-ABL


(Abelson murine leukemia virus)
BDBM50292494
PNG
(CHEMBL485064 | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)Oc2ccccc2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H20N5O13P3/c17-14-11-15(19-7-18-14)21(8-20-11)16-13(23)12(22)10(31-16)6-30-35(24,25)33-37(28,29)34-36(26,27)32-9-4-2-1-3-5-9/h1-5,7-8,10,12-13,16,22-23H,6H2,(H,24,25)(H,26,27)(H,28,29)(H2,17,18,19)/t10-,12-,13-,16-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



Smith Kline& French Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p60v-abl tyrosine kinase from Abelson murine leukemia virus


J Med Chem 31: 1768-72 (1988)


Article DOI: 10.1021/jm00117a016
BindingDB Entry DOI: 10.7270/Q2833SMV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase V-ABL


(Abelson murine leukemia virus)
BDBM50292494
PNG
(CHEMBL485064 | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)Oc2ccccc2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H20N5O13P3/c17-14-11-15(19-7-18-14)21(8-20-11)16-13(23)12(22)10(31-16)6-30-35(24,25)33-37(28,29)34-36(26,27)32-9-4-2-1-3-5-9/h1-5,7-8,10,12-13,16,22-23H,6H2,(H,24,25)(H,26,27)(H,28,29)(H2,17,18,19)/t10-,12-,13-,16-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1n/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