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

Found 563 hits with Last Name = 'crespan' and Initial = 'e'   
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50102904
PNG
(CHEMBL3394091)
Show SMILES Oc1cccc(Nc2nc(SC3CCCC3)nc3n(CC(Cl)c4ccccc4)ncc23)c1
Show InChI InChI=1/C24H24ClN5OS/c25-21(16-7-2-1-3-8-16)15-30-23-20(14-26-30)22(27-17-9-6-10-18(31)13-17)28-24(29-23)32-19-11-4-5-12-19/h1-3,6-10,13-14,19,21,31H,4-5,11-12,15H2,(H,27,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
7n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena Via Aldo Moro 2

Curated by ChEMBL


Assay Description
Inhibition of human recombinant src kinase using KVEKIGEGTYGVVYK as substrate by filter binding assay in presence of [gamma-32P]ATP


J Med Chem 58: 347-61 (2015)


Article DOI: 10.1021/jm5013159
BindingDB Entry DOI: 10.7270/Q2416ZTT
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50102908
PNG
(CHEMBL3393071)
Show SMILES CC(C)Sc1nc(Nc2cccc(O)c2)c2cnn(CC(Cl)c3ccccc3)c2n1
Show InChI InChI=1/C22H22ClN5OS/c1-14(2)30-22-26-20(25-16-9-6-10-17(29)11-16)18-12-24-28(21(18)27-22)13-19(23)15-7-4-3-5-8-15/h3-12,14,19,29H,13H2,1-2H3,(H,25,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena Via Aldo Moro 2

Curated by ChEMBL


Assay Description
Inhibition of human recombinant src kinase using KVEKIGEGTYGVVYK as substrate by filter binding assay in presence of [gamma-32P]ATP


J Med Chem 58: 347-61 (2015)


Article DOI: 10.1021/jm5013159
BindingDB Entry DOI: 10.7270/Q2416ZTT
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



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
3D
3D Structure (crystal)
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



Universit&aagrov; degli Studi di Siena

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1207-11 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.112
BindingDB Entry DOI: 10.7270/Q23R0RF2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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))
BDBM50262718
PNG
(CHEMBL476304 | N-(5-(4-methoxybenzyl)thiazol-2-yl)...)
Show SMILES COc1ccc(Cc2cnc(NC(=O)c3cccs3)s2)cc1
Show InChI InChI=1S/C16H14N2O2S2/c1-20-12-6-4-11(5-7-12)9-13-10-17-16(22-13)18-15(19)14-3-2-8-21-14/h2-8,10H,9H2,1H3,(H,17,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
16n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of Abl kinase (unknown origin) by cell free assay


Bioorg Med Chem Lett 18: 4328-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.082
BindingDB Entry DOI: 10.7270/Q2M908GW
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50354489
PNG
(CHEMBL1836680)
Show SMILES CSc1nc(Nc2cccc(Br)c2)c2cnn(CC(C)c3ccccc3)c2n1
Show InChI InChI=1S/C21H20BrN5S/c1-14(15-7-4-3-5-8-15)13-27-20-18(12-23-27)19(25-21(26-20)28-2)24-17-10-6-9-16(22)11-17/h3-12,14H,13H2,1-2H3,(H,24,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
18n/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
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50372736
PNG
(CHEMBL270492)
Show SMILES Fc1ccc(cc1)C(Cl)Cn1ncc2c(NCc3ccccc3F)ncnc12 |w:7.8|
Show InChI InChI=1S/C20H16ClF2N5/c21-17(13-5-7-15(22)8-6-13)11-28-20-16(10-27-28)19(25-12-26-20)24-9-14-3-1-2-4-18(14)23/h1-8,10,12,17H,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
20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant Abl by cell free assay


J Med Chem 51: 1252-9 (2008)


Article DOI: 10.1021/jm701240c
BindingDB Entry DOI: 10.7270/Q2MW2J10
More data for this
Ligand-Target Pair
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50354481
PNG
(CHEMBL1836679)
Show SMILES CSc1nc(Nc2cccc(Cl)c2)c2cnn(CC(C)c3ccccc3)c2n1
Show InChI InChI=1S/C21H20ClN5S/c1-14(15-7-4-3-5-8-15)13-27-20-18(12-23-27)19(25-21(26-20)28-2)24-17-10-6-9-16(22)11-17/h3-12,14H,13H2,1-2H3,(H,24,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
25n/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))
BDBM50354480
PNG
(CHEMBL1836678)
Show SMILES CSc1nc(Nc2ccccc2)c2cnn(CC(C)c3ccccc3)c2n1
Show InChI InChI=1S/C21H21N5S/c1-15(16-9-5-3-6-10-16)14-26-20-18(13-22-26)19(24-21(25-20)27-2)23-17-11-7-4-8-12-17/h3-13,15H,14H2,1-2H3,(H,23,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
25n/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))
BDBM50102872
PNG
(CHEMBL3394083)
Show SMILES CSc1nc(Nc2cccc(O)c2)c2cnn(CC(Cl)c3ccccc3)c2n1
Show InChI InChI=1/C20H18ClN5OS/c1-28-20-24-18(23-14-8-5-9-15(27)10-14)16-11-22-26(19(16)25-20)12-17(21)13-6-3-2-4-7-13/h2-11,17,27H,12H2,1H3,(H,23,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena Via Aldo Moro 2

Curated by ChEMBL


Assay Description
Inhibition of human recombinant src kinase using KVEKIGEGTYGVVYK as substrate by filter binding assay in presence of [gamma-32P]ATP


J Med Chem 58: 347-61 (2015)


Article DOI: 10.1021/jm5013159
BindingDB Entry DOI: 10.7270/Q2416ZTT
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))
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



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of wild type Abl (unknown origin)


Eur J Med Chem 123: 1-13 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.034
BindingDB Entry DOI: 10.7270/Q2ZP484T
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



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))
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 human recombinant Abl by cell free assay


J Med Chem 51: 1252-9 (2008)


Article DOI: 10.1021/jm701240c
BindingDB Entry DOI: 10.7270/Q2MW2J10
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50101585
PNG
(CHEMBL3393986)
Show SMILES Cl.Oc1cccc(Nc2nc(SCCN3CCOCC3)nc3n(CCc4ccccc4)ncc23)c1
Show InChI InChI=1S/C25H28N6O2S.ClH/c32-21-8-4-7-20(17-21)27-23-22-18-26-31(10-9-19-5-2-1-3-6-19)24(22)29-25(28-23)34-16-13-30-11-14-33-15-12-30;/h1-8,17-18,32H,9-16H2,(H,27,28,29);1H
PDB
MMDB

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 Via Aldo Moro 2

Curated by ChEMBL


Assay Description
Inhibition of human recombinant src kinase using KVEKIGEGTYGVVYK as substrate by filter binding assay in presence of [gamma-32P]ATP


J Med Chem 58: 347-61 (2015)


Article DOI: 10.1021/jm5013159
BindingDB Entry DOI: 10.7270/Q2416ZTT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50230100
PNG
(4-fluoro-N-(5-(4-fluorobenzylthio)-1,3,4-thiadiazo...)
Show SMILES Fc1ccc(CSc2nnc(NC(=O)c3ccc(F)cc3)s2)cc1
Show InChI InChI=1S/C16H11F2N3OS2/c17-12-5-1-10(2-6-12)9-23-16-21-20-15(24-16)19-14(22)11-3-7-13(18)8-4-11/h1-8H,9H2,(H,19,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
44n/an/an/an/an/an/an/an/a



Universit&aagrov; degli Studi di Siena

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1207-11 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.112
BindingDB Entry DOI: 10.7270/Q23R0RF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM86859
PNG
(CAS_1327207 | N-(5-(4-bromobenzylthio)-1,3,4-thiad...)
Show SMILES Clc1ccc(cc1)C(=O)Nc1nnc(SCc2ccc(Br)cc2)s1
Show InChI InChI=1S/C16H11BrClN3OS2/c17-12-5-1-10(2-6-12)9-23-16-21-20-15(24-16)19-14(22)11-3-7-13(18)8-4-11/h1-8H,9H2,(H,19,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
47n/an/an/an/an/an/an/an/a



Universit&aagrov; degli Studi di Siena

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1207-11 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.112
BindingDB Entry DOI: 10.7270/Q23R0RF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50262723
PNG
(CHEMBL517822 | N-(5-(2,5-dichlorobenzyl)thiazol-2-...)
Show SMILES Clc1ccc(Cl)c(Cc2cnc(NC(=O)c3cccs3)s2)c1
Show InChI InChI=1S/C15H10Cl2N2OS2/c16-10-3-4-12(17)9(6-10)7-11-8-18-15(22-11)19-14(20)13-2-1-5-21-13/h1-6,8H,7H2,(H,18,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
50n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of Abl kinase (unknown origin) by cell free assay


Bioorg Med Chem Lett 18: 4328-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.082
BindingDB Entry DOI: 10.7270/Q2M908GW
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))
BDBM50262722
PNG
(CHEMBL517047 | Thiophene-2-carboxylic acid [5-(3-m...)
Show SMILES Cc1cccc(Cc2cnc(NC(=O)c3cccs3)s2)c1
Show InChI InChI=1S/C16H14N2OS2/c1-11-4-2-5-12(8-11)9-13-10-17-16(21-13)18-15(19)14-6-3-7-20-14/h2-8,10H,9H2,1H3,(H,17,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
59n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of Abl kinase (unknown origin) by cell free assay


Bioorg Med Chem Lett 18: 4328-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.082
BindingDB Entry DOI: 10.7270/Q2M908GW
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM86863
PNG
(CAS_4390766 | N-(5-(3-fluorobenzylthio)-1,3,4-thia...)
Show SMILES Fc1cccc(CSc2nnc(NC(=O)c3ccc(Cl)cc3)s2)c1
Show InChI InChI=1S/C16H11ClFN3OS2/c17-12-6-4-11(5-7-12)14(22)19-15-20-21-16(24-15)23-9-10-2-1-3-13(18)8-10/h1-8H,9H2,(H,19,20,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
64n/an/an/an/an/an/an/an/a



Universit&aagrov; degli Studi di Siena

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1207-11 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.112
BindingDB Entry DOI: 10.7270/Q23R0RF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50354484
PNG
(CHEMBL1629808)
Show SMILES CSc1nc(NCc2cccc(Br)c2)c2cnn(CC(Cl)c3ccccc3)c2n1
Show InChI InChI=1S/C21H19BrClN5S/c1-29-21-26-19(24-11-14-6-5-9-16(22)10-14)17-12-25-28(20(17)27-21)13-18(23)15-7-3-2-4-8-15/h2-10,12,18H,11,13H2,1H3,(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
64n/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))
BDBM50262667
PNG
(CHEMBL477139 | N-(6-methoxy-8H-indeno[1,2-d]thiazo...)
Show SMILES COc1ccc-2c(Cc3sc(NC(=O)c4cccs4)nc-23)c1
Show InChI InChI=1S/C16H12N2O2S2/c1-20-10-4-5-11-9(7-10)8-13-14(11)17-16(22-13)18-15(19)12-3-2-6-21-12/h2-7H,8H2,1H3,(H,17,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
68n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of Abl kinase (unknown origin) by cell free assay


Bioorg Med Chem Lett 18: 4328-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.082
BindingDB Entry DOI: 10.7270/Q2M908GW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM86875
PNG
(CAS_685639 | N-(5-(benzylthio)-1,3,4-thiadiazol-2-...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1nnc(SCc2ccccc2)s1
Show InChI InChI=1S/C16H12FN3OS2/c17-13-8-6-12(7-9-13)14(21)18-15-19-20-16(23-15)22-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,18,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
70n/an/an/an/an/an/an/an/a



Universit&aagrov; degli Studi di Siena

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1207-11 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.112
BindingDB Entry DOI: 10.7270/Q23R0RF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50089575
PNG
(CHEMBL3578214)
Show SMILES Nc1ncnc2n(CC(Cl)c3ccccc3)nc(-c3ccc(Cl)cc3)c12
Show InChI InChI=1/C19H15Cl2N5/c20-14-8-6-13(7-9-14)17-16-18(22)23-11-24-19(16)26(25-17)10-15(21)12-4-2-1-3-5-12/h1-9,11,15H,10H2,(H2,22,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length Fyn using Src substrate peptide after 15 mins incubation by MicroBeta liquid scintillation counting analy...


J Med Chem 58: 4590-609 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00140
BindingDB Entry DOI: 10.7270/Q29025HZ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50102878
PNG
(CHEMBL3394082)
Show SMILES Cl.CC(Cn1ncc2c(Nc3cccc(O)c3)nc(SCCN3CCOCC3)nc12)c1ccccc1
Show InChI InChI=1/C26H30N6O2S.ClH/c1-19(20-6-3-2-4-7-20)18-32-25-23(17-27-32)24(28-21-8-5-9-22(33)16-21)29-26(30-25)35-15-12-31-10-13-34-14-11-31;/h2-9,16-17,19,33H,10-15,18H2,1H3,(H,28,29,30);1H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena Via Aldo Moro 2

Curated by ChEMBL


Assay Description
Inhibition of human recombinant src kinase using KVEKIGEGTYGVVYK as substrate by filter binding assay in presence of [gamma-32P]ATP


J Med Chem 58: 347-61 (2015)


Article DOI: 10.1021/jm5013159
BindingDB Entry DOI: 10.7270/Q2416ZTT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM86874
PNG
(CAS_44454498 | N-(5-(3-chlorobenzylthio)-1,3,4-thi...)
Show SMILES Clc1ccc(cc1)C(=O)Nc1nnc(SCc2cccc(Cl)c2)s1
Show InChI InChI=1S/C16H11Cl2N3OS2/c17-12-6-4-11(5-7-12)14(22)19-15-20-21-16(24-15)23-9-10-2-1-3-13(18)8-10/h1-8H,9H2,(H,19,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
73n/an/an/an/an/an/an/an/a



Universit&aagrov; degli Studi di Siena

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1207-11 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.112
BindingDB Entry DOI: 10.7270/Q23R0RF2
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))
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))
BDBM50372741
PNG
(CHEMBL408966)
Show SMILES ClC(Cn1ncc2c(NCc3cccc(Cl)c3)ncnc12)c1ccc(Cl)cc1 |w:1.0|
Show InChI InChI=1S/C20H16Cl3N5/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
80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant Abl by cell free assay


J Med Chem 51: 1252-9 (2008)


Article DOI: 10.1021/jm701240c
BindingDB Entry DOI: 10.7270/Q2MW2J10
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 human recombinant Abl by cell free assay


J Med Chem 51: 1252-9 (2008)


Article DOI: 10.1021/jm701240c
BindingDB Entry DOI: 10.7270/Q2MW2J10
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50224377
PNG
(1-(2-chloro-2-phenylethyl)-N-(2-fluorobenzyl)-6-(m...)
Show SMILES CSc1nc(NCc2ccccc2F)c2cnn(CC(Cl)c3ccccc3)c2n1 |w:19.20|
Show InChI InChI=1S/C21H19ClFN5S/c1-29-21-26-19(24-11-15-9-5-6-10-18(15)23)16-12-25-28(20(16)27-21)13-17(22)14-7-3-2-4-8-14/h2-10,12,17H,11,13H2,1H3,(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
80n/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
Proto-oncogene tyrosine-protein kinase Src


(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

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
81n/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
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM86857
PNG
(CAS_44454939 | N-(5-(4-nitrobenzylthio)-1,3,4-thia...)
Show SMILES [O-][N+](=O)c1ccc(CSc2nnc(NC(=O)c3ccccc3Cl)s2)cc1
Show InChI InChI=1S/C16H11ClN4O3S2/c17-13-4-2-1-3-12(13)14(22)18-15-19-20-16(26-15)25-9-10-5-7-11(8-6-10)21(23)24/h1-8H,9H2,(H,18,19,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
83n/an/an/an/an/an/an/an/a



Universit&aagrov; degli Studi di Siena

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1207-11 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.112
BindingDB Entry DOI: 10.7270/Q23R0RF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50224387
PNG
(1-(2-chloro-2-phenylethyl)-N-(2-chlorobenzyl)-6-(m...)
Show SMILES CSc1nc(NCc2ccccc2Cl)c2cnn(CC(Cl)c3ccccc3)c2n1 |w:19.20|
Show InChI InChI=1S/C21H19Cl2N5S/c1-29-21-26-19(24-11-15-9-5-6-10-17(15)22)16-12-25-28(20(16)27-21)13-18(23)14-7-3-2-4-8-14/h2-10,12,18H,11,13H2,1H3,(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
89n/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))
BDBM86868
PNG
(CAS_3643794 | N-(5-(4-bromobenzylthio)-1,3,4-thiad...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1nnc(SCc2ccc(Br)cc2)s1
Show InChI InChI=1S/C16H11BrFN3OS2/c17-12-5-1-10(2-6-12)9-23-16-21-20-15(24-16)19-14(22)11-3-7-13(18)8-4-11/h1-8H,9H2,(H,19,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
89n/an/an/an/an/an/an/an/a



Universit&aagrov; degli Studi di Siena

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1207-11 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.112
BindingDB Entry DOI: 10.7270/Q23R0RF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50262664
PNG
(CHEMBL504598 | N-(5-benzylthiazol-2-yl)thiophene-2...)
Show SMILES O=C(Nc1ncc(Cc2ccccc2)s1)c1cccs1
Show InChI InChI=1S/C15H12N2OS2/c18-14(13-7-4-8-19-13)17-15-16-10-12(20-15)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,16,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
90n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of Abl kinase (unknown origin) by cell free assay


Bioorg Med Chem Lett 18: 4328-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.082
BindingDB Entry DOI: 10.7270/Q2M908GW
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50354476
PNG
(CHEMBL1836673)
Show SMILES CSc1nc(Nc2cccc(Cl)c2)c2cnn(CCc3ccccc3)c2n1
Show InChI InChI=1S/C20H18ClN5S/c1-27-20-24-18(23-16-9-5-8-15(21)12-16)17-13-22-26(19(17)25-20)11-10-14-6-3-2-4-7-14/h2-9,12-13H,10-11H2,1H3,(H,23,24,25)
PDB
MMDB

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 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
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM86856
PNG
(CAS_44454904 | N-(5-(4-nitrobenzylthio)-1,3,4-thia...)
Show SMILES [O-][N+](=O)c1ccc(CSc2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1
Show InChI InChI=1S/C16H11ClN4O3S2/c17-12-5-3-11(4-6-12)14(22)18-15-19-20-16(26-15)25-9-10-1-7-13(8-2-10)21(23)24/h1-8H,9H2,(H,18,19,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
92n/an/an/an/an/an/an/an/a



Universit&aagrov; degli Studi di Siena

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1207-11 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.112
BindingDB Entry DOI: 10.7270/Q23R0RF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50089569
PNG
(CHEMBL3578215)
Show SMILES Cc1ccc(cc1)-c1nn(CC(Cl)c2ccccc2)c2ncnc(N)c12
Show InChI InChI=1/C20H18ClN5/c1-13-7-9-15(10-8-13)18-17-19(22)23-12-24-20(17)26(25-18)11-16(21)14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3,(H2,22,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
95n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length Fyn using Src substrate peptide after 15 mins incubation by MicroBeta liquid scintillation counting analy...


J Med Chem 58: 4590-609 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00140
BindingDB Entry DOI: 10.7270/Q29025HZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50262715
PNG
(CHEMBL518430 | N-(5-(3-chlorobenzyl)thiazol-2-yl)t...)
Show SMILES Clc1cccc(Cc2cnc(NC(=O)c3cccs3)s2)c1
Show InChI InChI=1S/C15H11ClN2OS2/c16-11-4-1-3-10(7-11)8-12-9-17-15(21-12)18-14(19)13-5-2-6-20-13/h1-7,9H,8H2,(H,17,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
97n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of Abl kinase (unknown origin) by cell free assay


Bioorg Med Chem Lett 18: 4328-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.082
BindingDB Entry DOI: 10.7270/Q2M908GW
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50102909
PNG
(CHEMBL3394077)
Show SMILES CCSc1nc(Nc2cccc(Br)c2)c2cnn(CC(C)c3ccccc3)c2n1
Show InChI InChI=1/C22H22BrN5S/c1-3-29-22-26-20(25-18-11-7-10-17(23)12-18)19-13-24-28(21(19)27-22)14-15(2)16-8-5-4-6-9-16/h4-13,15H,3,14H2,1-2H3,(H,25,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
100n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena Via Aldo Moro 2

Curated by ChEMBL


Assay Description
Inhibition of human recombinant src kinase using KVEKIGEGTYGVVYK as substrate by filter binding assay in presence of [gamma-32P]ATP


J Med Chem 58: 347-61 (2015)


Article DOI: 10.1021/jm5013159
BindingDB Entry DOI: 10.7270/Q2416ZTT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50247371
PNG
(CHEMBL454923 | N-benzyl-1-(2-chloro-2-phenylethyl)...)
Show SMILES CCCSc1nc(NCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1
Show InChI InChI=1S/C23H24ClN5S/c1-2-13-30-23-27-21(25-14-17-9-5-3-6-10-17)19-15-26-29(22(19)28-23)16-20(24)18-11-7-4-8-12-18/h3-12,15,20H,2,13-14,16H2,1H3,(H,25,27,28)
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



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
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
Displayed 1 to 50 (of 563 total )  |  Next  |  Last  >>
Jump to: