new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 58 hits with Last Name = 'filippi' and Initial = 'i'   
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 ABL1


(Homo sapiens (Human))
BDBM50436581
PNG
(CHEMBL2397805)
Show SMILES ClC(Cn1ncc2c(NCc3ccccc3Cl)ncnc12)c1ccc(Br)cc1
Show InChI InChI=1S/C20H16BrCl2N5/c21-15-7-5-13(6-8-15)18(23)11-28-20-16(10-27-28)19(25-12-26-20)24-9-14-3-1-2-4-17(14)22/h1-8,10,12,18H,9,11H2,(H,24,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to recombinant wild type human Abl using abitide as substrate


J Med Chem 56: 5382-94 (2014)


Article DOI: 10.1021/jm400233w
BindingDB Entry DOI: 10.7270/Q29G5P63
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

DrugBank
PDB
Article
PubMed
13n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


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


J Med Chem 54: 2610-26 (2011)


Article DOI: 10.1021/jm1012819
BindingDB Entry DOI: 10.7270/Q28K79F5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50436582
PNG
(CHEMBL2397804)
Show SMILES ClC(Cn1ncc2c(NCc3cccc(Cl)c3)ncnc12)c1ccc(Br)cc1
Show InChI InChI=1S/C20H16BrCl2N5/c21-15-6-4-14(5-7-15)18(23)11-28-20-17(10-27-28)19(25-12-26-20)24-9-13-2-1-3-16(22)8-13/h1-8,10,12,18H,9,11H2,(H,24,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
21n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to recombinant wild type human Abl using abitide as substrate


J Med Chem 56: 5382-94 (2014)


Article DOI: 10.1021/jm400233w
BindingDB Entry DOI: 10.7270/Q29G5P63
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50354485
PNG
(CHEMBL412298)
Show SMILES Fc1cccc(CNc2ncnc3n(CC(Cl)c4ccccc4)ncc23)c1 |w:15.15|
Show InChI InChI=1S/C20H17ClFN5/c21-18(15-6-2-1-3-7-15)12-27-20-17(11-26-27)19(24-13-25-20)23-10-14-5-4-8-16(22)9-14/h1-9,11,13,18H,10,12H2,(H,23,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to recombinant wild type human Abl using abitide as substrate


J Med Chem 56: 5382-94 (2014)


Article DOI: 10.1021/jm400233w
BindingDB Entry DOI: 10.7270/Q29G5P63
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50436570
PNG
(CHEMBL2397818)
Show SMILES ClC(Cn1ncc2c(Nc3ccccc3)ncnc12)c1ccc(I)cc1
Show InChI InChI=1S/C19H15ClIN5/c20-17(13-6-8-14(21)9-7-13)11-26-19-16(10-24-26)18(22-12-23-19)25-15-4-2-1-3-5-15/h1-10,12,17H,11H2,(H,22,23,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
50n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to recombinant wild type human Abl using abitide as substrate


J Med Chem 56: 5382-94 (2014)


Article DOI: 10.1021/jm400233w
BindingDB Entry DOI: 10.7270/Q29G5P63
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50436590
PNG
(CHEMBL2397796)
Show SMILES Fc1cccc(CNc2ncnc3n(CC(Cl)c4ccc(Br)cc4)ncc23)c1
Show InChI InChI=1S/C20H16BrClFN5/c21-15-6-4-14(5-7-15)18(22)11-28-20-17(10-27-28)19(25-12-26-20)24-9-13-2-1-3-16(23)8-13/h1-8,10,12,18H,9,11H2,(H,24,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
55n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to recombinant wild type human Abl using abitide as substrate


J Med Chem 56: 5382-94 (2014)


Article DOI: 10.1021/jm400233w
BindingDB Entry DOI: 10.7270/Q29G5P63
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50436571
PNG
(CHEMBL2397817)
Show SMILES Cc1ccc(cc1)C(Cl)Cn1ncc2c(Nc3ccccc3)ncnc12
Show InChI InChI=1S/C20H18ClN5/c1-14-7-9-15(10-8-14)18(21)12-26-20-17(11-24-26)19(22-13-23-20)25-16-5-3-2-4-6-16/h2-11,13,18H,12H2,1H3,(H,22,23,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to recombinant wild type human Abl using abitide as substrate


J Med Chem 56: 5382-94 (2014)


Article DOI: 10.1021/jm400233w
BindingDB Entry DOI: 10.7270/Q29G5P63
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50343424
PNG
(1-(2-chloro-2-(4-chlorophenyl)ethyl)-N-(4-fluorobe...)
Show SMILES Fc1ccc(CNc2ncnc3n(CC(Cl)c4ccc(Cl)cc4)ncc23)cc1 |w:14.14|
Show InChI InChI=1S/C20H16Cl2FN5/c21-15-5-3-14(4-6-15)18(22)11-28-20-17(10-27-28)19(25-12-26-20)24-9-13-1-7-16(23)8-2-13/h1-8,10,12,18H,9,11H2,(H,24,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to recombinant wild type human Abl using abitide as substrate


J Med Chem 56: 5382-94 (2014)


Article DOI: 10.1021/jm400233w
BindingDB Entry DOI: 10.7270/Q29G5P63
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50343424
PNG
(1-(2-chloro-2-(4-chlorophenyl)ethyl)-N-(4-fluorobe...)
Show SMILES Fc1ccc(CNc2ncnc3n(CC(Cl)c4ccc(Cl)cc4)ncc23)cc1 |w:14.14|
Show InChI InChI=1S/C20H16Cl2FN5/c21-15-5-3-14(4-6-15)18(22)11-28-20-17(10-27-28)19(25-12-26-20)24-9-13-1-7-16(23)8-2-13/h1-8,10,12,18H,9,11H2,(H,24,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
80n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


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


J Med Chem 54: 2610-26 (2011)


Article DOI: 10.1021/jm1012819
BindingDB Entry DOI: 10.7270/Q28K79F5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50343427
PNG
(CHEMBL1775039 | N-Benzyl-1-(2-chloro-2-phenylethyl...)
Show SMILES ClC(Cn1ncc2c(NCc3ccccc3)nc(SCCN3CCOCC3)nc12)c1ccccc1
Show InChI InChI=1S/C26H29ClN6OS/c27-23(21-9-5-2-6-10-21)19-33-25-22(18-29-33)24(28-17-20-7-3-1-4-8-20)30-26(31-25)35-16-13-32-11-14-34-15-12-32/h1-10,18,23H,11-17,19H2,(H,28,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
90n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


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


J Med Chem 54: 2610-26 (2011)


Article DOI: 10.1021/jm1012819
BindingDB Entry DOI: 10.7270/Q28K79F5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50372737
PNG
(CHEMBL261827)
Show SMILES Fc1ccc(cc1)C(Cl)Cn1ncc2c(NCc3cccc(F)c3)ncnc12 |w:7.8|
Show InChI InChI=1S/C20H16ClF2N5/c21-18(14-4-6-15(22)7-5-14)11-28-20-17(10-27-28)19(25-12-26-20)24-9-13-2-1-3-16(23)8-13/h1-8,10,12,18H,9,11H2,(H,24,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
100n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to recombinant wild type human Abl using abitide as substrate


J Med Chem 56: 5382-94 (2014)


Article DOI: 10.1021/jm400233w
BindingDB Entry DOI: 10.7270/Q29G5P63
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50343430
PNG
(CHEMBL1775036 | N-(3-Chlorophenyl)-1-(2-chloro-2-p...)
Show SMILES ClC(Cn1ncc2c(Nc3cccc(Cl)c3)nc(SCCN3CCOCC3)nc12)c1ccccc1
Show InChI InChI=1S/C25H26Cl2N6OS/c26-19-7-4-8-20(15-19)29-23-21-16-28-33(17-22(27)18-5-2-1-3-6-18)24(21)31-25(30-23)35-14-11-32-9-12-34-13-10-32/h1-8,15-16,22H,9-14,17H2,(H,29,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
120n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


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


J Med Chem 54: 2610-26 (2011)


Article DOI: 10.1021/jm1012819
BindingDB Entry DOI: 10.7270/Q28K79F5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50436580
PNG
(CHEMBL2397806)
Show SMILES ClC(Cn1ncc2c(NCc3ccc(Cl)cc3)ncnc12)c1ccc(Br)cc1
Show InChI InChI=1S/C20H16BrCl2N5/c21-15-5-3-14(4-6-15)18(23)11-28-20-17(10-27-28)19(25-12-26-20)24-9-13-1-7-16(22)8-2-13/h1-8,10,12,18H,9,11H2,(H,24,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
140n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to recombinant wild type human Abl using abitide as substrate


J Med Chem 56: 5382-94 (2014)


Article DOI: 10.1021/jm400233w
BindingDB Entry DOI: 10.7270/Q29G5P63
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50343431
PNG
(1-(2-Chloro-2-phenylethyl)-6-[(2-morpholin-4-yleth...)
Show SMILES ClC(Cn1ncc2c(Nc3ccccc3)nc(SCCN3CCOCC3)nc12)c1ccccc1
Show InChI InChI=1S/C25H27ClN6OS/c26-22(19-7-3-1-4-8-19)18-32-24-21(17-27-32)23(28-20-9-5-2-6-10-20)29-25(30-24)34-16-13-31-11-14-33-15-12-31/h1-10,17,22H,11-16,18H2,(H,28,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
150n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


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


J Med Chem 54: 2610-26 (2011)


Article DOI: 10.1021/jm1012819
BindingDB Entry DOI: 10.7270/Q28K79F5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50436589
PNG
(CHEMBL2397797)
Show SMILES Fc1ccc(cc1)C(Cl)Cn1ncc2c(Nc3cccc(Cl)c3)ncnc12
Show InChI InChI=1S/C19H14Cl2FN5/c20-13-2-1-3-15(8-13)26-18-16-9-25-27(19(16)24-11-23-18)10-17(21)12-4-6-14(22)7-5-12/h1-9,11,17H,10H2,(H,23,24,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
180n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to recombinant wild type human Abl using abitide as substrate


J Med Chem 56: 5382-94 (2014)


Article DOI: 10.1021/jm400233w
BindingDB Entry DOI: 10.7270/Q29G5P63
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50343430
PNG
(CHEMBL1775036 | N-(3-Chlorophenyl)-1-(2-chloro-2-p...)
Show SMILES ClC(Cn1ncc2c(Nc3cccc(Cl)c3)nc(SCCN3CCOCC3)nc12)c1ccccc1
Show InChI InChI=1S/C25H26Cl2N6OS/c26-19-7-4-8-20(15-19)29-23-21-16-28-33(17-22(27)18-5-2-1-3-6-18)24(21)31-25(30-23)35-14-11-32-9-12-34-13-10-32/h1-8,15-16,22H,9-14,17H2,(H,29,30,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
190n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


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


J Med Chem 54: 2610-26 (2011)


Article DOI: 10.1021/jm1012819
BindingDB Entry DOI: 10.7270/Q28K79F5
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50343431
PNG
(1-(2-Chloro-2-phenylethyl)-6-[(2-morpholin-4-yleth...)
Show SMILES ClC(Cn1ncc2c(Nc3ccccc3)nc(SCCN3CCOCC3)nc12)c1ccccc1
Show InChI InChI=1S/C25H27ClN6OS/c26-22(19-7-3-1-4-8-19)18-32-24-21(17-27-32)23(28-20-9-5-2-6-10-20)29-25(30-24)34-16-13-31-11-14-33-15-12-31/h1-10,17,22H,11-16,18H2,(H,28,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
210n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


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


J Med Chem 54: 2610-26 (2011)


Article DOI: 10.1021/jm1012819
BindingDB Entry DOI: 10.7270/Q28K79F5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50343421
PNG
(2-({4-[(2-Phenylethyl)amino]-1-(2-phenylvinyl)-1H-...)
Show SMILES OCCNc1nc(NCCc2ccccc2)c2cnn(\C=C/c3ccccc3)c2n1
Show InChI InChI=1S/C23H24N6O/c30-16-14-25-23-27-21(24-13-11-18-7-3-1-4-8-18)20-17-26-29(22(20)28-23)15-12-19-9-5-2-6-10-19/h1-10,12,15,17,30H,11,13-14,16H2,(H2,24,25,27,28)/b15-12-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
220n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


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


J Med Chem 54: 2610-26 (2011)


Article DOI: 10.1021/jm1012819
BindingDB Entry DOI: 10.7270/Q28K79F5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50436587
PNG
(CHEMBL2397799)
Show SMILES ClC(Cn1ncc2c(Nc3cccc(Br)c3)ncnc12)c1ccccc1
Show InChI InChI=1S/C19H15BrClN5/c20-14-7-4-8-15(9-14)25-18-16-10-24-26(19(16)23-12-22-18)11-17(21)13-5-2-1-3-6-13/h1-10,12,17H,11H2,(H,22,23,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
260n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to recombinant wild type human Abl using abitide as substrate


J Med Chem 56: 5382-94 (2014)


Article DOI: 10.1021/jm400233w
BindingDB Entry DOI: 10.7270/Q29G5P63
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50142885
PNG
(Benzyl-[1-(2-chloro-2-phenyl-ethyl)-6-methylsulfan...)
Show SMILES CSc1nc(NCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1
Show InChI InChI=1S/C21H20ClN5S/c1-28-21-25-19(23-12-15-8-4-2-5-9-15)17-13-24-27(20(17)26-21)14-18(22)16-10-6-3-7-11-16/h2-11,13,18H,12,14H2,1H3,(H,23,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
260n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


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


J Med Chem 54: 2610-26 (2011)


Article DOI: 10.1021/jm1012819
BindingDB Entry DOI: 10.7270/Q28K79F5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50343429
PNG
(1-(2-Chloro-2-phenylethyl)-6-[(2-morpholin-4-yleth...)
Show SMILES ClC(Cn1ncc2c(NCCc3ccccc3)nc(SCCN3CCOCC3)nc12)c1ccccc1
Show InChI InChI=1S/C27H31ClN6OS/c28-24(22-9-5-2-6-10-22)20-34-26-23(19-30-34)25(29-12-11-21-7-3-1-4-8-21)31-27(32-26)36-18-15-33-13-16-35-17-14-33/h1-10,19,24H,11-18,20H2,(H,29,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
270n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


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


J Med Chem 54: 2610-26 (2011)


Article DOI: 10.1021/jm1012819
BindingDB Entry DOI: 10.7270/Q28K79F5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50343426
PNG
(1-(2-Chloro-2-phenylethyl)-6-[(2-morpholin-4-yleth...)
Show SMILES CCCNc1nc(SCCN2CCOCC2)nc2n(CC(Cl)c3ccccc3)ncc12
Show InChI InChI=1S/C22H29ClN6OS/c1-2-8-24-20-18-15-25-29(16-19(23)17-6-4-3-5-7-17)21(18)27-22(26-20)31-14-11-28-9-12-30-13-10-28/h3-7,15,19H,2,8-14,16H2,1H3,(H,24,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
340n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


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


J Med Chem 54: 2610-26 (2011)


Article DOI: 10.1021/jm1012819
BindingDB Entry DOI: 10.7270/Q28K79F5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50343425
PNG
(CHEMBL1775041 | N-(3-Chlorophenyl)-1-(2-chloro-2-p...)
Show SMILES ClC(Cn1ncc2c(Nc3cccc(Cl)c3)nc(nc12)N1CCOCC1)c1ccccc1
Show InChI InChI=1S/C23H22Cl2N6O/c24-17-7-4-8-18(13-17)27-21-19-14-26-31(15-20(25)16-5-2-1-3-6-16)22(19)29-23(28-21)30-9-11-32-12-10-30/h1-8,13-14,20H,9-12,15H2,(H,27,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
390n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


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


J Med Chem 54: 2610-26 (2011)


Article DOI: 10.1021/jm1012819
BindingDB Entry DOI: 10.7270/Q28K79F5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50343428
PNG
(1-(2-Chloro-2-phenylethyl)-N-(4-fluorobenzyl)-6-[(...)
Show SMILES Fc1ccc(CNc2nc(SCCN3CCOCC3)nc3n(CC(Cl)c4ccccc4)ncc23)cc1
Show InChI InChI=1S/C26H28ClFN6OS/c27-23(20-4-2-1-3-5-20)18-34-25-22(17-30-34)24(29-16-19-6-8-21(28)9-7-19)31-26(32-25)36-15-12-33-10-13-35-14-11-33/h1-9,17,23H,10-16,18H2,(H,29,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
580n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


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


J Med Chem 54: 2610-26 (2011)


Article DOI: 10.1021/jm1012819
BindingDB Entry DOI: 10.7270/Q28K79F5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50436584
PNG
(CHEMBL2397802)
Show SMILES ClC(Cn1ncc2c(Nc3ccccc3)ncnc12)c1ccc(Br)cc1
Show InChI InChI=1S/C19H15BrClN5/c20-14-8-6-13(7-9-14)17(21)11-26-19-16(10-24-26)18(22-12-23-19)25-15-4-2-1-3-5-15/h1-10,12,17H,11H2,(H,22,23,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
610n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to recombinant wild type human Abl using abitide as substrate


J Med Chem 56: 5382-94 (2014)


Article DOI: 10.1021/jm400233w
BindingDB Entry DOI: 10.7270/Q29G5P63
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50436588
PNG
(CHEMBL2397798)
Show SMILES Fc1ccc(cc1)C(Cl)Cn1ncc2c(Nc3cccc(Br)c3)ncnc12
Show InChI InChI=1S/C19H14BrClFN5/c20-13-2-1-3-15(8-13)26-18-16-9-25-27(19(16)24-11-23-18)10-17(21)12-4-6-14(22)7-5-12/h1-9,11,17H,10H2,(H,23,24,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
656n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to recombinant wild type human Abl using abitide as substrate


J Med Chem 56: 5382-94 (2014)


Article DOI: 10.1021/jm400233w
BindingDB Entry DOI: 10.7270/Q29G5P63
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50343417
PNG
(1-[2-Chloro-2-(4-chlorophenyl)ethyl]-N-(pyridin-4-...)
Show SMILES ClC(Cn1ncc2c(NCc3ccncc3)ncnc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H16Cl2N6/c20-15-3-1-14(2-4-15)17(21)11-27-19-16(10-26-27)18(24-12-25-19)23-9-13-5-7-22-8-6-13/h1-8,10,12,17H,9,11H2,(H,23,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
660n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


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


J Med Chem 54: 2610-26 (2011)


Article DOI: 10.1021/jm1012819
BindingDB Entry DOI: 10.7270/Q28K79F5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50343420
PNG
(6-(Methylsulfonyl)-1-(2-phenylvinyl)-N-propyl-1H-p...)
Show SMILES CCCNc1nc(nc2n(\C=C/c3ccccc3)ncc12)S(C)(=O)=O
Show InChI InChI=1S/C17H19N5O2S/c1-3-10-18-15-14-12-19-22(11-9-13-7-5-4-6-8-13)16(14)21-17(20-15)25(2,23)24/h4-9,11-12H,3,10H2,1-2H3,(H,18,20,21)/b11-9-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
720n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


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


J Med Chem 54: 2610-26 (2011)


Article DOI: 10.1021/jm1012819
BindingDB Entry DOI: 10.7270/Q28K79F5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50320700
PNG
(1-[2-chloro-2-(4-fluorophenyl)ethyl]-N-(3-fluoroph...)
Show SMILES Fc1ccc(cc1)C(Cl)Cn1ncc2c(Nc3cccc(F)c3)ncnc12
Show InChI InChI=1S/C19H14ClF2N5/c20-17(12-4-6-13(21)7-5-12)10-27-19-16(9-25-27)18(23-11-24-19)26-15-3-1-2-14(22)8-15/h1-9,11,17H,10H2,(H,23,24,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
732n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to recombinant wild type human Abl using abitide as substrate


J Med Chem 56: 5382-94 (2014)


Article DOI: 10.1021/jm400233w
BindingDB Entry DOI: 10.7270/Q29G5P63
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50343419
PNG
(CHEMBL1775043 | N-Benzyl-1-(2-chloro-2-phenylethyl...)
Show SMILES CS(=O)(=O)c1nc(NCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1
Show InChI InChI=1S/C21H20ClN5O2S/c1-30(28,29)21-25-19(23-12-15-8-4-2-5-9-15)17-13-24-27(20(17)26-21)14-18(22)16-10-6-3-7-11-16/h2-11,13,18H,12,14H2,1H3,(H,23,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
740n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


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


J Med Chem 54: 2610-26 (2011)


Article DOI: 10.1021/jm1012819
BindingDB Entry DOI: 10.7270/Q28K79F5
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50343424
PNG
(1-(2-chloro-2-(4-chlorophenyl)ethyl)-N-(4-fluorobe...)
Show SMILES Fc1ccc(CNc2ncnc3n(CC(Cl)c4ccc(Cl)cc4)ncc23)cc1 |w:14.14|
Show InChI InChI=1S/C20H16Cl2FN5/c21-15-5-3-14(4-6-15)18(22)11-28-20-17(10-27-28)19(25-12-26-20)24-9-13-1-7-16(23)8-2-13/h1-8,10,12,18H,9,11H2,(H,24,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
800n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


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


J Med Chem 54: 2610-26 (2011)


Article DOI: 10.1021/jm1012819
BindingDB Entry DOI: 10.7270/Q28K79F5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50436585
PNG
(CHEMBL2397801)
Show SMILES ClC(Cn1ncc2c(Nc3ccccc3)ncnc12)c1ccccc1
Show InChI InChI=1S/C19H16ClN5/c20-17(14-7-3-1-4-8-14)12-25-19-16(11-23-25)18(21-13-22-19)24-15-9-5-2-6-10-15/h1-11,13,17H,12H2,(H,21,22,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
890n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to recombinant wild type human Abl using abitide as substrate


J Med Chem 56: 5382-94 (2014)


Article DOI: 10.1021/jm400233w
BindingDB Entry DOI: 10.7270/Q29G5P63
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50436578
PNG
(CHEMBL2397808)
Show SMILES ClC(Cn1ncc2c(NCc3ccc(Cl)c(Cl)c3)ncnc12)c1ccc(Br)cc1
Show InChI InChI=1S/C20H15BrCl3N5/c21-14-4-2-13(3-5-14)18(24)10-29-20-15(9-28-29)19(26-11-27-20)25-8-12-1-6-16(22)17(23)7-12/h1-7,9,11,18H,8,10H2,(H,25,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.10E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to recombinant wild type human Abl using abitide as substrate


J Med Chem 56: 5382-94 (2014)


Article DOI: 10.1021/jm400233w
BindingDB Entry DOI: 10.7270/Q29G5P63
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50343428
PNG
(1-(2-Chloro-2-phenylethyl)-N-(4-fluorobenzyl)-6-[(...)
Show SMILES Fc1ccc(CNc2nc(SCCN3CCOCC3)nc3n(CC(Cl)c4ccccc4)ncc23)cc1
Show InChI InChI=1S/C26H28ClFN6OS/c27-23(20-4-2-1-3-5-20)18-34-25-22(17-30-34)24(29-16-19-6-8-21(28)9-7-19)31-26(32-25)36-15-12-33-10-13-35-14-11-33/h1-9,17,23H,10-16,18H2,(H,29,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.20E+3n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


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


J Med Chem 54: 2610-26 (2011)


Article DOI: 10.1021/jm1012819
BindingDB Entry DOI: 10.7270/Q28K79F5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50343418
PNG
(1-[2-Chloro-2-(4-chlorophenyl)ethyl]-N-(pyridin-2-...)
Show SMILES ClC(Cn1ncc2c(NCc3ccccn3)ncnc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H16Cl2N6/c20-14-6-4-13(5-7-14)17(21)11-27-19-16(10-26-27)18(24-12-25-19)23-9-15-3-1-2-8-22-15/h1-8,10,12,17H,9,11H2,(H,23,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.20E+3n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


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


J Med Chem 54: 2610-26 (2011)


Article DOI: 10.1021/jm1012819
BindingDB Entry DOI: 10.7270/Q28K79F5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50436574
PNG
(CHEMBL2397814)
Show SMILES ClC(Cn1ncc2c(NCc3cccc(Br)c3)ncnc12)c1ccc(Br)cc1
Show InChI InChI=1S/C20H16Br2ClN5/c21-15-6-4-14(5-7-15)18(23)11-28-20-17(10-27-28)19(25-12-26-20)24-9-13-2-1-3-16(22)8-13/h1-8,10,12,18H,9,11H2,(H,24,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.26E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to recombinant wild type human Abl using abitide as substrate


J Med Chem 56: 5382-94 (2014)


Article DOI: 10.1021/jm400233w
BindingDB Entry DOI: 10.7270/Q29G5P63
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50436583
PNG
(CHEMBL2397803)
Show SMILES ClC(Cn1ncc2c(NCc3ccccc3)ncnc12)c1ccc(Br)cc1
Show InChI InChI=1S/C20H17BrClN5/c21-16-8-6-15(7-9-16)18(22)12-27-20-17(11-26-27)19(24-13-25-20)23-10-14-4-2-1-3-5-14/h1-9,11,13,18H,10,12H2,(H,23,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.31E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to recombinant wild type human Abl using abitide as substrate


J Med Chem 56: 5382-94 (2014)


Article DOI: 10.1021/jm400233w
BindingDB Entry DOI: 10.7270/Q29G5P63
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50436586
PNG
(CHEMBL2397800)
Show SMILES Fc1cccc(Nc2ncnc3n(CC(Cl)c4ccccc4)ncc23)c1
Show InChI InChI=1S/C19H15ClFN5/c20-17(13-5-2-1-3-6-13)11-26-19-16(10-24-26)18(22-12-23-19)25-15-8-4-7-14(21)9-15/h1-10,12,17H,11H2,(H,22,23,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.44E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to recombinant wild type human Abl using abitide as substrate


J Med Chem 56: 5382-94 (2014)


Article DOI: 10.1021/jm400233w
BindingDB Entry DOI: 10.7270/Q29G5P63
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50343422
PNG
(1-[2-Chloro-2-(4-fluorophenyl)ethyl]-N-(pyridin-4-...)
Show SMILES Fc1ccc(cc1)C(Cl)Cn1ncc2c(NCc3ccncc3)ncnc12
Show InChI InChI=1S/C19H16ClFN6/c20-17(14-1-3-15(21)4-2-14)11-27-19-16(10-26-27)18(24-12-25-19)23-9-13-5-7-22-8-6-13/h1-8,10,12,17H,9,11H2,(H,23,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.60E+3n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


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


J Med Chem 54: 2610-26 (2011)


Article DOI: 10.1021/jm1012819
BindingDB Entry DOI: 10.7270/Q28K79F5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50436572
PNG
(CHEMBL2397816)
Show SMILES FC(F)(F)c1cc(CNc2ncnc3n(CC(Cl)c4ccc(Br)cc4)ncc23)cc(c1)C(F)(F)F
Show InChI InChI=1S/C22H15BrClF6N5/c23-16-3-1-13(2-4-16)18(24)10-35-20-17(9-34-35)19(32-11-33-20)31-8-12-5-14(21(25,26)27)7-15(6-12)22(28,29)30/h1-7,9,11,18H,8,10H2,(H,31,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.81E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to recombinant wild type human Abl using abitide as substrate


J Med Chem 56: 5382-94 (2014)


Article DOI: 10.1021/jm400233w
BindingDB Entry DOI: 10.7270/Q29G5P63
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50343419
PNG
(CHEMBL1775043 | N-Benzyl-1-(2-chloro-2-phenylethyl...)
Show SMILES CS(=O)(=O)c1nc(NCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1
Show InChI InChI=1S/C21H20ClN5O2S/c1-30(28,29)21-25-19(23-12-15-8-4-2-5-9-15)17-13-24-27(20(17)26-21)14-18(22)16-10-6-3-7-11-16/h2-11,13,18H,12,14H2,1H3,(H,23,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.00E+3n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


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


J Med Chem 54: 2610-26 (2011)


Article DOI: 10.1021/jm1012819
BindingDB Entry DOI: 10.7270/Q28K79F5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50343423
PNG
(1-[2-Chloro-2-(4-fluorophenyl)ethyl]-N-(pyridin-2-...)
Show SMILES Fc1ccc(cc1)C(Cl)Cn1ncc2c(NCc3ccccn3)ncnc12
Show InChI InChI=1S/C19H16ClFN6/c20-17(13-4-6-14(21)7-5-13)11-27-19-16(10-26-27)18(24-12-25-19)23-9-15-3-1-2-8-22-15/h1-8,10,12,17H,9,11H2,(H,23,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.10E+3n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


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


J Med Chem 54: 2610-26 (2011)


Article DOI: 10.1021/jm1012819
BindingDB Entry DOI: 10.7270/Q28K79F5
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50343421
PNG
(2-({4-[(2-Phenylethyl)amino]-1-(2-phenylvinyl)-1H-...)
Show SMILES OCCNc1nc(NCCc2ccccc2)c2cnn(\C=C/c3ccccc3)c2n1
Show InChI InChI=1S/C23H24N6O/c30-16-14-25-23-27-21(24-13-11-18-7-3-1-4-8-18)20-17-26-29(22(20)28-23)15-12-19-9-5-2-6-10-19/h1-10,12,15,17,30H,11,13-14,16H2,(H2,24,25,27,28)/b15-12-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.40E+3n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


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


J Med Chem 54: 2610-26 (2011)


Article DOI: 10.1021/jm1012819
BindingDB Entry DOI: 10.7270/Q28K79F5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50436577
PNG
(CHEMBL2397809)
Show SMILES Fc1ccc(CNc2ncnc3n(CC(Cl)c4ccc(Br)cc4)ncc23)cc1
Show InChI InChI=1S/C20H16BrClFN5/c21-15-5-3-14(4-6-15)18(22)11-28-20-17(10-27-28)19(25-12-26-20)24-9-13-1-7-16(23)8-2-13/h1-8,10,12,18H,9,11H2,(H,24,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.53E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to recombinant wild type human Abl using abitide as substrate


J Med Chem 56: 5382-94 (2014)


Article DOI: 10.1021/jm400233w
BindingDB Entry DOI: 10.7270/Q29G5P63
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50436576
PNG
(CHEMBL2397810)
Show SMILES Fc1ccc(F)c(CNc2ncnc3n(CC(Cl)c4ccc(Br)cc4)ncc23)c1
Show InChI InChI=1S/C20H15BrClF2N5/c21-14-3-1-12(2-4-14)17(22)10-29-20-16(9-28-29)19(26-11-27-20)25-8-13-7-15(23)5-6-18(13)24/h1-7,9,11,17H,8,10H2,(H,25,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.72E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to recombinant wild type human Abl using abitide as substrate


J Med Chem 56: 5382-94 (2014)


Article DOI: 10.1021/jm400233w
BindingDB Entry DOI: 10.7270/Q29G5P63
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50343427
PNG
(CHEMBL1775039 | N-Benzyl-1-(2-chloro-2-phenylethyl...)
Show SMILES ClC(Cn1ncc2c(NCc3ccccc3)nc(SCCN3CCOCC3)nc12)c1ccccc1
Show InChI InChI=1S/C26H29ClN6OS/c27-23(21-9-5-2-6-10-21)19-33-25-22(18-29-33)24(28-17-20-7-3-1-4-8-20)30-26(31-25)35-16-13-32-11-14-34-15-12-32/h1-10,18,23H,11-17,19H2,(H,28,30,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.90E+3n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


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


J Med Chem 54: 2610-26 (2011)


Article DOI: 10.1021/jm1012819
BindingDB Entry DOI: 10.7270/Q28K79F5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50436575
PNG
(CHEMBL2397812)
Show SMILES ClC(Cn1ncc2c(NCc3ccc(Br)cc3)ncnc12)c1ccc(Br)cc1
Show InChI InChI=1S/C20H16Br2ClN5/c21-15-5-1-13(2-6-15)9-24-19-17-10-27-28(20(17)26-12-25-19)11-18(23)14-3-7-16(22)8-4-14/h1-8,10,12,18H,9,11H2,(H,24,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to recombinant wild type human Abl using abitide as substrate


J Med Chem 56: 5382-94 (2014)


Article DOI: 10.1021/jm400233w
BindingDB Entry DOI: 10.7270/Q29G5P63
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50343420
PNG
(6-(Methylsulfonyl)-1-(2-phenylvinyl)-N-propyl-1H-p...)
Show SMILES CCCNc1nc(nc2n(\C=C/c3ccccc3)ncc12)S(C)(=O)=O
Show InChI InChI=1S/C17H19N5O2S/c1-3-10-18-15-14-12-19-22(11-9-13-7-5-4-6-8-13)16(14)21-17(20-15)25(2,23)24/h4-9,11-12H,3,10H2,1-2H3,(H,18,20,21)/b11-9-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.00E+3n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


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


J Med Chem 54: 2610-26 (2011)


Article DOI: 10.1021/jm1012819
BindingDB Entry DOI: 10.7270/Q28K79F5
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50343422
PNG
(1-[2-Chloro-2-(4-fluorophenyl)ethyl]-N-(pyridin-4-...)
Show SMILES Fc1ccc(cc1)C(Cl)Cn1ncc2c(NCc3ccncc3)ncnc12
Show InChI InChI=1S/C19H16ClFN6/c20-17(14-1-3-15(21)4-2-14)11-27-19-16(10-26-27)18(24-12-25-19)23-9-13-5-7-22-8-6-13/h1-8,10,12,17H,9,11H2,(H,23,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.00E+3n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


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


J Med Chem 54: 2610-26 (2011)


Article DOI: 10.1021/jm1012819
BindingDB Entry DOI: 10.7270/Q28K79F5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50436579
PNG
(CHEMBL2397807)
Show SMILES ClC(Cn1ncc2c(NCc3cc(Cl)ccc3Cl)ncnc12)c1ccc(Br)cc1
Show InChI InChI=1S/C20H15BrCl3N5/c21-14-3-1-12(2-4-14)18(24)10-29-20-16(9-28-29)19(26-11-27-20)25-8-13-7-15(22)5-6-17(13)23/h1-7,9,11,18H,8,10H2,(H,25,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.34E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to recombinant wild type human Abl using abitide as substrate


J Med Chem 56: 5382-94 (2014)


Article DOI: 10.1021/jm400233w
BindingDB Entry DOI: 10.7270/Q29G5P63
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 58 total )  |  Next  |  Last  >>
Jump to: