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BDBM50142880 1-(2-chloro-2-phenylethyl)-6-(methylthio)-N-phenethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine::CHEMBL289125::[1-(2-Chloro-2-phenyl-ethyl)-6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-phenethyl-amine

SMILES: CSc1nc(NCCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1

InChI Key: InChIKey=DCXUDJFLTXEABV-UHFFFAOYNA-N

Data: 8 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 8 hits for monomerid = 50142880   
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


(Homo sapiens (Human))
BDBM50142880
PNG
(1-(2-chloro-2-phenylethyl)-6-(methylthio)-N-phenet...)
Show SMILES CSc1nc(NCCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1
Show InChI InChI=1/C22H22ClN5S/c1-29-22-26-20(24-13-12-16-8-4-2-5-9-16)18-14-25-28(21(18)27-22)15-19(23)17-10-6-3-7-11-17/h2-11,14,19H,12-13,15H2,1H3,(H,24,26,27)
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700n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition human recombinant cSRC using KVEKIGEGTYGVVYK peptide substrate in presence of [gamma-32P]-ATP


Bioorg Med Chem Lett 21: 5928-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.079
BindingDB Entry DOI: 10.7270/Q29G5N6P
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50142880
PNG
(1-(2-chloro-2-phenylethyl)-6-(methylthio)-N-phenet...)
Show SMILES CSc1nc(NCCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1
Show InChI InChI=1/C22H22ClN5S/c1-29-22-26-20(24-13-12-16-8-4-2-5-9-16)18-14-25-28(21(18)27-22)15-19(23)17-10-6-3-7-11-17/h2-11,14,19H,12-13,15H2,1H3,(H,24,26,27)
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PubMed
700n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Src


J Med Chem 50: 5579-88 (2007)


Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50142880
PNG
(1-(2-chloro-2-phenylethyl)-6-(methylthio)-N-phenet...)
Show SMILES CSc1nc(NCCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1
Show InChI InChI=1/C22H22ClN5S/c1-29-22-26-20(24-13-12-16-8-4-2-5-9-16)18-14-25-28(21(18)27-22)15-19(23)17-10-6-3-7-11-17/h2-11,14,19H,12-13,15H2,1H3,(H,24,26,27)
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700n/an/an/an/an/an/an/an/a



Università degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human recombinant c-Src by filter-binding assay


Eur J Med Chem 43: 2665-76 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.034
BindingDB Entry DOI: 10.7270/Q23J3CS2
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50142880
PNG
(1-(2-chloro-2-phenylethyl)-6-(methylthio)-N-phenet...)
Show SMILES CSc1nc(NCCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1
Show InChI InChI=1/C22H22ClN5S/c1-29-22-26-20(24-13-12-16-8-4-2-5-9-16)18-14-25-28(21(18)27-22)15-19(23)17-10-6-3-7-11-17/h2-11,14,19H,12-13,15H2,1H3,(H,24,26,27)
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700n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibitory activity against Src in cell free assay


J Med Chem 49: 1549-61 (2006)


Article DOI: 10.1021/jm050603r
BindingDB Entry DOI: 10.7270/Q27H1J6N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50142880
PNG
(1-(2-chloro-2-phenylethyl)-6-(methylthio)-N-phenet...)
Show SMILES CSc1nc(NCCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1
Show InChI InChI=1/C22H22ClN5S/c1-29-22-26-20(24-13-12-16-8-4-2-5-9-16)18-14-25-28(21(18)27-22)15-19(23)17-10-6-3-7-11-17/h2-11,14,19H,12-13,15H2,1H3,(H,24,26,27)
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Article
PubMed
700n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Src


Eur J Med Chem 44: 3712-7 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.039
BindingDB Entry DOI: 10.7270/Q2SF2W6F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50142880
PNG
(1-(2-chloro-2-phenylethyl)-6-(methylthio)-N-phenet...)
Show SMILES CSc1nc(NCCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1
Show InChI InChI=1/C22H22ClN5S/c1-29-22-26-20(24-13-12-16-8-4-2-5-9-16)18-14-25-28(21(18)27-22)15-19(23)17-10-6-3-7-11-17/h2-11,14,19H,12-13,15H2,1H3,(H,24,26,27)
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7.03E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Abl


Eur J Med Chem 44: 3712-7 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.039
BindingDB Entry DOI: 10.7270/Q2SF2W6F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50142880
PNG
(1-(2-chloro-2-phenylethyl)-6-(methylthio)-N-phenet...)
Show SMILES CSc1nc(NCCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1
Show InChI InChI=1/C22H22ClN5S/c1-29-22-26-20(24-13-12-16-8-4-2-5-9-16)18-14-25-28(21(18)27-22)15-19(23)17-10-6-3-7-11-17/h2-11,14,19H,12-13,15H2,1H3,(H,24,26,27)
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7.30E+3n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition human recombinant Abl using Abtide peptide substrate in presence of [gamma-32P]-ATP


Bioorg Med Chem Lett 21: 5928-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.079
BindingDB Entry DOI: 10.7270/Q29G5N6P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50142880
PNG
(1-(2-chloro-2-phenylethyl)-6-(methylthio)-N-phenet...)
Show SMILES CSc1nc(NCCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1
Show InChI InChI=1/C22H22ClN5S/c1-29-22-26-20(24-13-12-16-8-4-2-5-9-16)18-14-25-28(21(18)27-22)15-19(23)17-10-6-3-7-11-17/h2-11,14,19H,12-13,15H2,1H3,(H,24,26,27)
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PubMed
7.30E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Abl by filter-binding assay


Eur J Med Chem 43: 2665-76 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.034
BindingDB Entry DOI: 10.7270/Q23J3CS2
More data for this
Ligand-Target Pair