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2 similar compounds to monomer 50292492

Compile data set for download or QSAR
Wt: 527.5
BDBM50292497
Wt: 598.5
BDBM50292500

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50292497,50292500   
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 transforming protein Abl


(Abelson murine leukemia virus)
BDBM50292497
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)Oc2ccccc2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C23H21N5O8S/c24-20-17-21(26-11-25-20)28(12-27-17)22-19(30)18(29)16(35-22)10-34-23(31)13-6-8-15(9-7-13)37(32,33)36-14-4-2-1-3-5-14/h1-9,11-12,16,18-19,22,29-30H,10H2,(H2,24,25,26)/t16-,18-,19-,22-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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 transforming protein Abl


(Abelson murine leukemia virus)
BDBM50292497
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)Oc2ccccc2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C23H21N5O8S/c24-20-17-21(26-11-25-20)28(12-27-17)22-19(30)18(29)16(35-22)10-34-23(31)13-6-8-15(9-7-13)37(32,33)36-14-4-2-1-3-5-14/h1-9,11-12,16,18-19,22,29-30H,10H2,(H2,24,25,26)/t16-,18-,19-,22-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70E+5n/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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50292500
PNG
(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...)
Show SMILES Nc1ncnc2n(cnc12)C1OC(COC(=O)c2ccc(cc2)[S+]([O-])(=O)Oc2ccc(\C=C\[N+]([O-])=O)cc2)C(O)C1O
Show InChI InChI=1S/C25H22N6O10S/c26-22-19-23(28-12-27-22)30(13-29-19)24-21(33)20(32)18(40-24)11-39-25(34)15-3-7-17(8-4-15)42(37,38)41-16-5-1-14(2-6-16)9-10-31(35)36/h1-10,12-13,18,20-21,24,32-33H,11H2,(H2-,26,27,28,37,38)/b10-9+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells


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 transforming protein Abl


(Abelson murine leukemia virus)
BDBM50292500
PNG
(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...)
Show SMILES Nc1ncnc2n(cnc12)C1OC(COC(=O)c2ccc(cc2)[S+]([O-])(=O)Oc2ccc(\C=C\[N+]([O-])=O)cc2)C(O)C1O
Show InChI InChI=1S/C25H22N6O10S/c26-22-19-23(28-12-27-22)30(13-29-19)24-21(33)20(32)18(40-24)11-39-25(34)15-3-7-17(8-4-15)42(37,38)41-16-5-1-14(2-6-16)9-10-31(35)36/h1-10,12-13,18,20-21,24,32-33H,11H2,(H2-,26,27,28,37,38)/b10-9+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/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