Found 25 hits Enz. Inhib. hit(s) with all data for entry = 50043140 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 |
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 | |
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 | |
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 | |
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)) | 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 | |
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)) | BDBM50372737
(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
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
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)) | BDBM50436580
(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
Similars
| Article PubMed
| 140 | 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)) | BDBM50436589
(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
Similars
| Article PubMed
| 180 | 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)) | BDBM50436587
(CHEMBL2397799)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
Similars
| Article PubMed
| 260 | 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)) | 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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 610 | 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)) | BDBM50436588
(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
Similars
| Article PubMed
| 656 | 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)) | BDBM50320700
(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
Similars
| Article PubMed
| 732 | 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)) | BDBM50436585
(CHEMBL2397801)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
Similars
| Article PubMed
| 890 | 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)) | BDBM50436578
(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
Similars
| Article PubMed
| 1.10E+3 | 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)) | BDBM50436574
(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
Similars
| Article PubMed
| 1.26E+3 | 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)) | BDBM50436583
(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
Similars
| Article PubMed
| 1.31E+3 | 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)) | BDBM50436586
(CHEMBL2397800)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
Similars
| Article PubMed
| 1.44E+3 | 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)) | BDBM50436572
(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
Similars
| Article PubMed
| 1.81E+3 | 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)) | BDBM50436577
(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
Similars
| Article PubMed
| 2.53E+3 | 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)) | BDBM50436576
(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
Similars
| Article PubMed
| 2.72E+3 | 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)) | BDBM50436575
(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
Similars
| Article PubMed
| 3.00E+3 | 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)) | BDBM50436579
(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
Similars
| Article PubMed
| 3.34E+3 | 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)) | BDBM50436573
(CHEMBL2397815)Show SMILES COc1cccc(CNc2ncnc3n(CC(Cl)c4ccc(Br)cc4)ncc23)c1 Show InChI InChI=1S/C21H19BrClN5O/c1-29-17-4-2-3-14(9-17)10-24-20-18-11-27-28(21(18)26-13-25-20)12-19(23)15-5-7-16(22)8-6-15/h2-9,11,13,19H,10,12H2,1H3,(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
| 4.75E+3 | 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 | |