Found 483 hits with Last Name = 'dreassi' and Initial = 'e' Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Polyamine oxidase 1
(Zea mays) | BDBM50294105
(1-(Guanidino)-17-(N1-(methylcyclopropyl)guanidino)...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]=[#6](-[#7])-[#7]-[#6]-[#6]-1-[#6]-[#6]-1 |w:21.20| Show InChI InChI=1S/C22H47N7/c23-21(24)27-17-11-7-3-1-5-9-15-26-16-10-6-2-4-8-12-18-28-22(25)29-19-20-13-14-20/h20,26H,1-19H2,(H4,23,24,27)(H3,25,28,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | 6.5 | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method |
J Med Chem 52: 4774-85 (2009)
Article DOI: 10.1021/jm900371z BindingDB Entry DOI: 10.7270/Q2TB16W1 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Polyamine oxidase 1
(Zea mays) | BDBM50294107
(1-(Guanidino)-17-(N1-(beta-methylallyl)guanidino)-...)Show SMILES [#6]-[#6](=[#6])-[#6]-[#6]-[#7]-[#6](-[#7])=[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7] |w:8.8| Show InChI InChI=1S/C23H49N7/c1-21(2)15-20-30-23(26)29-19-14-10-6-4-8-12-17-27-16-11-7-3-5-9-13-18-28-22(24)25/h27H,1,3-20H2,2H3,(H4,24,25,28)(H3,26,29,30) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | 6.5 | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method |
J Med Chem 52: 4774-85 (2009)
Article DOI: 10.1021/jm900371z BindingDB Entry DOI: 10.7270/Q2TB16W1 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Polyamine oxidase 1
(Zea mays) | BDBM50294109
(1-(Guanidino)-17-(N1-(propargyl)guanidino)-9-azahe...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]=[#6](-[#7])-[#7]-[#6]C#C |w:21.20| Show InChI InChI=1S/C21H43N7/c1-2-15-27-21(24)28-19-14-10-6-4-8-12-17-25-16-11-7-3-5-9-13-18-26-20(22)23/h1,25H,3-19H2,(H4,22,23,26)(H3,24,27,28) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | 6.5 | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method |
J Med Chem 52: 4774-85 (2009)
Article DOI: 10.1021/jm900371z BindingDB Entry DOI: 10.7270/Q2TB16W1 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Polyamine oxidase 1
(Zea mays) | BDBM50294108
(1-(Guanidino)-17-(N1-(benzyl)guanidino)-9-azahepta...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]=[#6](-[#7])-[#7]-[#6]-c1ccccc1 |w:21.20| Show InChI InChI=1S/C25H47N7/c26-24(27)30-20-14-7-3-1-5-12-18-29-19-13-6-2-4-8-15-21-31-25(28)32-22-23-16-10-9-11-17-23/h9-11,16-17,29H,1-8,12-15,18-22H2,(H4,26,27,30)(H3,28,31,32) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | 6.5 | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method |
J Med Chem 52: 4774-85 (2009)
Article DOI: 10.1021/jm900371z BindingDB Entry DOI: 10.7270/Q2TB16W1 |
More data for this Ligand-Target Pair | |
Polyamine oxidase 1
(Zea mays) | BDBM50294106
(1-(Guanidino)-17-(N1-(gamma-methylallyl)guanidino)...)Show SMILES [#6]\[#6]=[#6]\[#6]-[#7]-[#6](-[#7])=[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7] |w:7.7| Show InChI InChI=1S/C22H47N7/c1-2-3-18-28-22(25)29-20-15-11-7-5-9-13-17-26-16-12-8-4-6-10-14-19-27-21(23)24/h2-3,26H,4-20H2,1H3,(H4,23,24,27)(H3,25,28,29)/b3-2+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | 6.5 | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method |
J Med Chem 52: 4774-85 (2009)
Article DOI: 10.1021/jm900371z BindingDB Entry DOI: 10.7270/Q2TB16W1 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Chitotriosidase-1
(Homo sapiens (Human)) | BDBM50541929
(CHEMBL1738785)Show SMILES Cn1cnc2n(C)c(=O)n(CCCn3c(=O)n(C)c4[nH]cnc4c3=O)c(=O)c12 Show InChI InChI=1S/C16H18N8O4/c1-20-8-19-12-10(20)14(26)24(16(28)22(12)3)6-4-5-23-13(25)9-11(18-7-17-9)21(2)15(23)27/h7-8H,4-6H2,1-3H3,(H,17,18) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Monoglyceride lipase
(Homo sapiens (Human)) | BDBM50605682
(CHEMBL5176915)Show SMILES Oc1ccc(F)c(c1)C(=O)N1CCC(Cc2cccc(Oc3cc(ccn3)C(F)(F)F)c2)CC1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01806 BindingDB Entry DOI: 10.7270/Q2Q81J4P |
More data for this Ligand-Target Pair | |
Polyamine oxidase 1
(Zea mays) | BDBM50294110
(1,1'-(8,8'-azanediylbis(octane-8,1-diyl))bis(3-(3-...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-[#6](-[#7])=[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7]-[#6]\[#6]=[#6](\[#6])-[#6] |w:29.29,8.8| Show InChI InChI=1S/C28H57N7/c1-25(2)17-23-34-27(29)32-21-15-11-7-5-9-13-19-31-20-14-10-6-8-12-16-22-33-28(30)35-24-18-26(3)4/h17-18,31H,5-16,19-24H2,1-4H3,(H3,29,32,34)(H3,30,33,35) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | 6.5 | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method |
J Med Chem 52: 4774-85 (2009)
Article DOI: 10.1021/jm900371z BindingDB Entry DOI: 10.7270/Q2TB16W1 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Polyamine oxidase 1
(Zea mays) | BDBM50294104
(1-(Guanidino)-17-(N1-(gamma,gamma-dimethylallyl)gu...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-[#6](-[#7])=[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7] |w:8.8| Show InChI InChI=1S/C23H49N7/c1-21(2)15-20-30-23(26)29-19-14-10-6-4-8-12-17-27-16-11-7-3-5-9-13-18-28-22(24)25/h15,27H,3-14,16-20H2,1-2H3,(H4,24,25,28)(H3,26,29,30) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | 6.5 | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method |
J Med Chem 52: 4774-85 (2009)
Article DOI: 10.1021/jm900371z BindingDB Entry DOI: 10.7270/Q2TB16W1 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50436581
(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
Similars
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL3394091)Show SMILES Oc1cccc(Nc2nc(SC3CCCC3)nc3n(CC(Cl)c4ccccc4)ncc23)c1 Show InChI InChI=1S/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
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Polyamine oxidase 1
(Zea mays) | BDBM50032500
(1,1'-(8,8'-azanediylbis(octane-8,1-diyl))diguanidi...)Show InChI InChI=1S/C18H41N7/c19-17(20)24-15-11-7-3-1-5-9-13-23-14-10-6-2-4-8-12-16-25-18(21)22/h23H,1-16H2,(H4,19,20,24)(H4,21,22,25) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | 6.5 | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method |
J Med Chem 52: 4774-85 (2009)
Article DOI: 10.1021/jm900371z BindingDB Entry DOI: 10.7270/Q2TB16W1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50102908
(CHEMBL3393071)Show SMILES CC(C)Sc1nc(Nc2cccc(O)c2)c2cnn(CC(Cl)c3ccccc3)c2n1 Show InChI InChI=1S/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
Similars
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Polyamine oxidase 1
(Zea mays) | BDBM50294112
(1-(5-aminopentyl)-3-(3-methylbut-2-enyl)guanidine ...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-[#6](-[#7])=[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7] |w:8.8| Show InChI InChI=1S/C11H24N4/c1-10(2)6-9-15-11(13)14-8-5-3-4-7-12/h6H,3-5,7-9,12H2,1-2H3,(H3,13,14,15) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | 6.5 | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method |
J Med Chem 52: 4774-85 (2009)
Article DOI: 10.1021/jm900371z BindingDB Entry DOI: 10.7270/Q2TB16W1 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM13530
(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 MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Polyamine oxidase 1
(Zea mays) | BDBM50294111
(1-(4-aminobutyl)-3-(3-methylbut-2-enyl)guanidine |...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-[#6](-[#7])=[#7]-[#6]-[#6]-[#6]-[#6]-[#7] |w:8.8| Show InChI InChI=1S/C10H22N4/c1-9(2)5-8-14-10(12)13-7-4-3-6-11/h5H,3-4,6-8,11H2,1-2H3,(H3,12,13,14) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | 6.5 | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method |
J Med Chem 52: 4774-85 (2009)
Article DOI: 10.1021/jm900371z BindingDB Entry DOI: 10.7270/Q2TB16W1 |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50354489
(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
Similars
| Article PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50354489
(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
Similars
| Article PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Inhibition of human wild type full length N-terminal GST/6His-tagged SRC (M1 to L536 residues) expressed in baculovirus infected Sf9 cells using src ... |
J Med Chem 60: 6305-6320 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00637 BindingDB Entry DOI: 10.7270/Q2HT2RMG |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50436582
(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
Similars
| Article PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Polyamine oxidase 1
(Zea mays) | BDBM50294113
(1-(6-aminohexyl)-3-(3-methylbut-2-enyl)guanidine |...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-[#6](-[#7])=[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7] |w:8.8| Show InChI InChI=1S/C12H26N4/c1-11(2)7-10-16-12(14)15-9-6-4-3-5-8-13/h7H,3-6,8-10,13H2,1-2H3,(H3,14,15,16) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | 6.5 | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method |
J Med Chem 52: 4774-85 (2009)
Article DOI: 10.1021/jm900371z BindingDB Entry DOI: 10.7270/Q2TB16W1 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50354480
(CHEMBL1836678)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
Similars
| Article PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50354481
(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
Similars
| Article PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL3394083)Show SMILES CSc1nc(Nc2cccc(O)c2)c2cnn(CC(Cl)c3ccccc3)c2n1 Show InChI InChI=1S/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
Similars
| Article PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50101585
(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
Similars
| Article PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50224371
(1-(2-chloro-2-phenylethyl)-N-(3-chlorophenyl)-6-(e...)Show SMILES CCSc1nc(Nc2cccc(Cl)c2)c2cnn(CC(Cl)c3ccccc3)c2n1 |w:19.20| Show InChI InChI=1S/C21H19Cl2N5S/c1-2-29-21-26-19(25-16-10-6-9-15(22)11-16)17-12-24-28(20(17)27-21)13-18(23)14-7-4-3-5-8-14/h3-12,18H,2,13H2,1H3,(H,25,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Inhibition of human recombinant Abl |
Eur J Med Chem 44: 3712-7 (2009)
Article DOI: 10.1016/j.ejmech.2009.03.039 BindingDB Entry DOI: 10.7270/Q2SF2W6F |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50436570
(CHEMBL2397818)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
Similars
| Article PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article PubMed
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50224388
(CHEMBL238561 | N-(3-bromophenyl)-1-(2-chloro-2-phe...)Show SMILES CSc1nc(Nc2cccc(Br)c2)c2cnn(CC(Cl)c3ccccc3)c2n1 |w:18.19| Show InChI InChI=1S/C20H17BrClN5S/c1-28-20-25-18(24-15-9-5-8-14(21)10-15)16-11-23-27(19(16)26-20)12-17(22)13-6-3-2-4-7-13/h2-11,17H,12H2,1H3,(H,24,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Inhibition of human recombinant Abl |
Eur J Med Chem 44: 3712-7 (2009)
Article DOI: 10.1016/j.ejmech.2009.03.039 BindingDB Entry DOI: 10.7270/Q2SF2W6F |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50436571
(CHEMBL2397817)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
Similars
| Article PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50436584
(CHEMBL2397802)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
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Inhibition of human wild type full length N-terminal GST/6His-tagged SRC (M1 to L536 residues) expressed in baculovirus infected Sf9 cells using src ... |
J Med Chem 60: 6305-6320 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00637 BindingDB Entry DOI: 10.7270/Q2HT2RMG |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50354484
(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
Similars
| Article PubMed
| 64 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50102878
(CHEMBL3394082)Show SMILES Cl.CC(Cn1ncc2c(Nc3cccc(O)c3)nc(SCCN3CCOCC3)nc12)c1ccccc1 Show InChI InChI=1S/C26H30N6O2S/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) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Fyn
(Homo sapiens (Human)) | BDBM50089575
(CHEMBL3578214)Show SMILES Nc1ncnc2n(CC(Cl)c3ccccc3)nc(-c3ccc(Cl)cc3)c12 Show InChI InChI=1S/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
Similars
| Article PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50343424
(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
Similars
| Article PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50224377
(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
Similars
| Article PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Inhibition of human recombinant Abl |
Eur J Med Chem 44: 3712-7 (2009)
Article DOI: 10.1016/j.ejmech.2009.03.039 BindingDB Entry DOI: 10.7270/Q2SF2W6F |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50343424
(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
Similars
| Article PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50224377
(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
Similars
| Article PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article PubMed
| 81 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50224387
(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
Similars
| Article PubMed
| 89 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50343427
(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
Similars
| Article PubMed
| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article PubMed
| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Siena
Curated by ChEMBL
| Assay Description Inhibition of Abl |
Bioorg Med Chem Lett 22: 5579-83 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.014 BindingDB Entry DOI: 10.7270/Q29P32P7 |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50354476
(CHEMBL1836673)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
Similars
| Article PubMed
| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50224387
(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
Similars
| Article PubMed
| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Inhibition of human recombinant Abl |
Eur J Med Chem 44: 3712-7 (2009)
Article DOI: 10.1016/j.ejmech.2009.03.039 BindingDB Entry DOI: 10.7270/Q2SF2W6F |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Fyn
(Homo sapiens (Human)) | BDBM50089569
(CHEMBL3578215)Show SMILES Cc1ccc(cc1)-c1nn(CC(Cl)c2ccccc2)c2ncnc(N)c12 Show InChI InChI=1S/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
Similars
| Article PubMed
| 95 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
ATP-dependent RNA helicase DDX3X
(Homo sapiens (Human)) | BDBM50606859
(CHEMBL5219128)Show SMILES COc1cc(\C=C2/SC(=S)N(CCC(=O)Nc3ccccc3Cl)C2=O)cc(OC)c1OC | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00755 BindingDB Entry DOI: 10.7270/Q29S1W5Q |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50224372
(1-(2-chloro-2-phenylethyl)-N-(4-fluorobenzyl)-6-(m...)Show SMILES CSc1nc(NCc2ccc(F)cc2)c2cnn(CC(Cl)c3ccccc3)c2n1 |w:19.20| Show InChI InChI=1S/C21H19ClFN5S/c1-29-21-26-19(24-11-14-7-9-16(23)10-8-14)17-12-25-28(20(17)27-21)13-18(22)15-5-3-2-4-6-15/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
Similars
| Article PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50102909
(CHEMBL3394077)Show SMILES CCSc1nc(Nc2cccc(Br)c2)c2cnn(CC(C)c3ccccc3)c2n1 Show InChI InChI=1S/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
Similars
| Article PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
ATP-dependent RNA helicase DDX3X
(Homo sapiens (Human)) | BDBM50606879
(CHEMBL5220346)Show SMILES CCN(CC)Nc1nc(N\N=C\c2ccccc2O)nc(Nc2ccccc2)n1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00755 BindingDB Entry DOI: 10.7270/Q29S1W5Q |
More data for this Ligand-Target Pair | |