BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 29 hits Enz. Inhib. hit(s) with all data for entry = 50039754   
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50345738
PNG
(1-isopropyl-3-(naphthalen-2-yl)-1H-pyrazolo[3,4-d]...)
Show SMILES CC(C)n1nc(-c2ccc3ccccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C18H17N5/c1-11(2)23-18-15(17(19)20-10-21-18)16(22-23)14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3,(H2,19,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
65n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human SRC by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50345738
PNG
(1-isopropyl-3-(naphthalen-2-yl)-1H-pyrazolo[3,4-d]...)
Show SMILES CC(C)n1nc(-c2ccc3ccccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C18H17N5/c1-11(2)23-18-15(17(19)20-10-21-18)16(22-23)14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3,(H2,19,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
69n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human ABL by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50345742
PNG
(1-isopropyl-3-(quinolin-3-yl)-1H-pyrazolo[3,4-d]py...)
Show SMILES CC(C)n1nc(-c2cnc3ccccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C17H16N6/c1-10(2)23-17-14(16(18)20-9-21-17)15(22-23)12-7-11-5-3-4-6-13(11)19-8-12/h3-10H,1-2H3,(H2,18,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
200n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human SRC by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50345740
PNG
(3-(6-ethoxynaphthalen-2-yl)-1-isopropyl-1H-pyrazol...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C20H21N5O/c1-4-26-16-8-7-13-9-15(6-5-14(13)10-16)18-17-19(21)22-11-23-20(17)25(24-18)12(2)3/h5-12H,4H2,1-3H3,(H2,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
200n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human SRC by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50383382
PNG
(CHEMBL2030556 | CHEMBL2069948 | US10172858, Table ...)
Show SMILES CC(C)n1nc(-c2cc3c(Cl)cccc3[nH]2)c2c(N)ncnc12
Show InChI InChI=1S/C16H15ClN6/c1-8(2)23-16-13(15(18)19-7-20-16)14(22-23)12-6-9-10(17)4-3-5-11(9)21-12/h3-8,21H,1-2H3,(H2,18,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
280n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human ABL by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50345735
PNG
(1-isopropyl-3-(4-methoxy-3-methylphenyl)-1H-pyrazo...)
Show SMILES COc1ccc(cc1C)-c1nn(C(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C16H19N5O/c1-9(2)21-16-13(15(17)18-8-19-16)14(20-21)11-5-6-12(22-4)10(3)7-11/h5-9H,1-4H3,(H2,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
650n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human SRC by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50345739
PNG
(1-isopropyl-3-(6-methoxynaphthalen-2-yl)-1H-pyrazo...)
Show SMILES COc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C19H19N5O/c1-11(2)24-19-16(18(20)21-10-22-19)17(23-24)14-5-4-13-9-15(25-3)7-6-12(13)8-14/h4-11H,1-3H3,(H2,20,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
750n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human ABL by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50345739
PNG
(1-isopropyl-3-(6-methoxynaphthalen-2-yl)-1H-pyrazo...)
Show SMILES COc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C19H19N5O/c1-11(2)24-19-16(18(20)21-10-22-19)17(23-24)14-5-4-13-9-15(25-3)7-6-12(13)8-14/h4-11H,1-3H3,(H2,20,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
770n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human SRC by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50383382
PNG
(CHEMBL2030556 | CHEMBL2069948 | US10172858, Table ...)
Show SMILES CC(C)n1nc(-c2cc3c(Cl)cccc3[nH]2)c2c(N)ncnc12
Show InChI InChI=1S/C16H15ClN6/c1-8(2)23-16-13(15(18)19-7-20-16)14(22-23)12-6-9-10(17)4-3-5-11(9)21-12/h3-8,21H,1-2H3,(H2,18,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.24E+3n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human SRC by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50345740
PNG
(3-(6-ethoxynaphthalen-2-yl)-1-isopropyl-1H-pyrazol...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C20H21N5O/c1-4-26-16-8-7-13-9-15(6-5-14(13)10-16)18-17-19(21)22-11-23-20(17)25(24-18)12(2)3/h5-12H,4H2,1-3H3,(H2,21,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
1.60E+3n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human ABL by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50345742
PNG
(1-isopropyl-3-(quinolin-3-yl)-1H-pyrazolo[3,4-d]py...)
Show SMILES CC(C)n1nc(-c2cnc3ccccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C17H16N6/c1-10(2)23-17-14(16(18)20-9-21-17)15(22-23)12-7-11-5-3-4-6-13(11)19-8-12/h3-10H,1-2H3,(H2,18,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.60E+3n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human ABL by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50180753
PNG
((5-benzoyl-1H-benzimidazol-2-yl)-carbamic acid met...)
Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1
Show InChI InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents

Article
PubMed
4.60E+3n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human ABL by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50383376
PNG
(CHEMBL2030558 | CHEMBL2069945 | US9765037, Compoun...)
Show SMILES COc1ccc(cc1C)-c1nn(CC2CCNCC2)c2ncnc(N)c12
Show InChI InChI=1S/C19H24N6O/c1-12-9-14(3-4-15(12)26-2)17-16-18(20)22-11-23-19(16)25(24-17)10-13-5-7-21-8-6-13/h3-4,9,11,13,21H,5-8,10H2,1-2H3,(H2,20,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
5.50E+3n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human ABL by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50383379
PNG
(CHEMBL2030552 | CHEMBL2069958 | US9518026, Example...)
Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4ccccc4c3)c12
Show InChI InChI=1S/C21H22N6/c22-20-18-19(17-6-5-15-3-1-2-4-16(15)11-17)26-27(21(18)25-13-24-20)12-14-7-9-23-10-8-14/h1-6,11,13-14,23H,7-10,12H2,(H2,22,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human SRC by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50383375
PNG
(CHEMBL2030559 | CHEMBL2069937 | US9765037, Compoun...)
Show SMILES Nc1ncnc2n(CC3CCNCC3)ncc12
Show InChI InChI=1S/C11H16N6/c12-10-9-5-16-17(11(9)15-7-14-10)6-8-1-3-13-4-2-8/h5,7-8,13H,1-4,6H2,(H2,12,14,15)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human SRC by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50383378
PNG
(CHEMBL2030561)
Show SMILES Nc1nc2ccc(cc2n1CC1CCNCC1)C(=O)c1ccccc1
Show InChI InChI=1S/C20H22N4O/c21-20-23-17-7-6-16(19(25)15-4-2-1-3-5-15)12-18(17)24(20)13-14-8-10-22-11-9-14/h1-7,12,14,22H,8-11,13H2,(H2,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human ABL by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50383378
PNG
(CHEMBL2030561)
Show SMILES Nc1nc2ccc(cc2n1CC1CCNCC1)C(=O)c1ccccc1
Show InChI InChI=1S/C20H22N4O/c21-20-23-17-7-6-16(19(25)15-4-2-1-3-5-15)12-18(17)24(20)13-14-8-10-22-11-9-14/h1-7,12,14,22H,8-11,13H2,(H2,21,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human SRC by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50383377
PNG
(CHEMBL2030560 | US9765037, Compound 92)
Show SMILES Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1
Show InChI InChI=1S/C14H11N3O/c15-14-16-11-7-6-10(8-12(11)17-14)13(18)9-4-2-1-3-5-9/h1-8H,(H3,15,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.00E+4n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human ABL by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50383377
PNG
(CHEMBL2030560 | US9765037, Compound 92)
Show SMILES Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1
Show InChI InChI=1S/C14H11N3O/c15-14-16-11-7-6-10(8-12(11)17-14)13(18)9-4-2-1-3-5-9/h1-8H,(H3,15,16,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human SRC by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50180753
PNG
((5-benzoyl-1H-benzimidazol-2-yl)-carbamic acid met...)
Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1
Show InChI InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human SRC by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50383376
PNG
(CHEMBL2030558 | CHEMBL2069945 | US9765037, Compoun...)
Show SMILES COc1ccc(cc1C)-c1nn(CC2CCNCC2)c2ncnc(N)c12
Show InChI InChI=1S/C19H24N6O/c1-12-9-14(3-4-15(12)26-2)17-16-18(20)22-11-23-19(16)25(24-17)10-13-5-7-21-8-6-13/h3-4,9,11,13,21H,5-8,10H2,1-2H3,(H2,20,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human SRC by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50383375
PNG
(CHEMBL2030559 | CHEMBL2069937 | US9765037, Compoun...)
Show SMILES Nc1ncnc2n(CC3CCNCC3)ncc12
Show InChI InChI=1S/C11H16N6/c12-10-9-5-16-17(11(9)15-7-14-10)6-8-1-3-13-4-2-8/h5,7-8,13H,1-4,6H2,(H2,12,14,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human ABL by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50383383
PNG
(CHEMBL2030557 | CHEMBL2069949)
Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(-c3cc4c(Cl)cccc4[nH]3)c12
Show InChI InChI=1S/C19H20ClN7/c20-13-2-1-3-14-12(13)8-15(25-14)17-16-18(21)23-10-24-19(16)27(26-17)9-11-4-6-22-7-5-11/h1-3,8,10-11,22,25H,4-7,9H2,(H2,21,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human SRC by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50383380
PNG
(CHEMBL2030553 | CHEMBL2070047 | US9765037, Compoun...)
Show SMILES COc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
Show InChI InChI=1S/C22H24N6O/c1-29-18-5-4-15-10-17(3-2-16(15)11-18)20-19-21(23)25-13-26-22(19)28(27-20)12-14-6-8-24-9-7-14/h2-5,10-11,13-14,24H,6-9,12H2,1H3,(H2,23,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
>1.50E+4n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human ABL by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50383374
PNG
(CHEMBL2030555 | CHEMBL2069960 | US9765037, Compoun...)
Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(-c3cnc4ccccc4c3)c12
Show InChI InChI=1S/C20H21N7/c21-19-17-18(15-9-14-3-1-2-4-16(14)23-10-15)26-27(20(17)25-12-24-19)11-13-5-7-22-8-6-13/h1-4,9-10,12-13,22H,5-8,11H2,(H2,21,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.50E+4n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human ABL by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50383381
PNG
(CHEMBL2030554 | CHEMBL2070050 | US9765037, Compoun...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
Show InChI InChI=1S/C23H26N6O/c1-2-30-19-6-5-16-11-18(4-3-17(16)12-19)21-20-22(24)26-14-27-23(20)29(28-21)13-15-7-9-25-10-8-15/h3-6,11-12,14-15,25H,2,7-10,13H2,1H3,(H2,24,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
>1.50E+4n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human ABL by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50383374
PNG
(CHEMBL2030555 | CHEMBL2069960 | US9765037, Compoun...)
Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(-c3cnc4ccccc4c3)c12
Show InChI InChI=1S/C20H21N7/c21-19-17-18(15-9-14-3-1-2-4-16(14)23-10-15)26-27(20(17)25-12-24-19)11-13-5-7-22-8-6-13/h1-4,9-10,12-13,22H,5-8,11H2,(H2,21,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>2.00E+4n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human SRC by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50383380
PNG
(CHEMBL2030553 | CHEMBL2070047 | US9765037, Compoun...)
Show SMILES COc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
Show InChI InChI=1S/C22H24N6O/c1-29-18-5-4-15-10-17(3-2-16(15)11-18)20-19-21(23)25-13-26-22(19)28(27-20)12-14-6-8-24-9-7-14/h2-5,10-11,13-14,24H,6-9,12H2,1H3,(H2,23,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
>2.00E+4n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human SRC by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50383381
PNG
(CHEMBL2030554 | CHEMBL2070050 | US9765037, Compoun...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
Show InChI InChI=1S/C23H26N6O/c1-2-30-19-6-5-16-11-18(4-3-17(16)12-19)21-20-22(24)26-14-27-23(20)29(28-21)13-15-7-9-25-10-8-15/h3-6,11-12,14-15,25H,2,7-10,13H2,1H3,(H2,24,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
>2.00E+4n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human SRC by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair