Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50038177 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)) | BDBM50372736
(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
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 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)) | 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 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)) | BDBM50372741
(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
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 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
(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 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)) | 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 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)) | BDBM50372735
(CHEMBL429600)Show SMILES Fc1ccc(cc1)C(Cl)Cn1ncc2c(NCc3cccc(Cl)c3)ncnc12 |w:7.8| Show InChI InChI=1S/C20H16Cl2FN5/c21-15-3-1-2-13(8-15)9-24-19-17-10-27-28(20(17)26-12-25-19)11-18(22)14-4-6-16(23)7-5-14/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
| 120 | 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 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)) | BDBM50372738
(CHEMBL270286)Show SMILES Fc1ccc(CNc2ncnc3n(CC(Cl)c4ccc(F)cc4)ncc23)cc1 |w:14.14| Show InChI InChI=1S/C20H16ClF2N5/c21-18(14-3-7-16(23)8-4-14)11-28-20-17(10-27-28)19(25-12-26-20)24-9-13-1-5-15(22)6-2-13/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
| 200 | 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 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)) | BDBM50372740
(CHEMBL273090)Show SMILES Fc1ccc(cc1)C(Cl)Cn1ncc2c(NCc3ccccc3Cl)ncnc12 |w:7.8| Show InChI InChI=1S/C20H16Cl2FN5/c21-17-4-2-1-3-14(17)9-24-19-16-10-27-28(20(16)26-12-25-19)11-18(22)13-5-7-15(23)8-6-13/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
| 200 | 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 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)) | BDBM50354486
(CHEMBL411043)Show InChI InChI=1S/C20H18ClN5/c21-18(16-9-5-2-6-10-16)13-26-20-17(12-25-26)19(23-14-24-20)22-11-15-7-3-1-4-8-15/h1-10,12,14,18H,11,13H2,(H,22,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 400 | 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 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)) | BDBM50372739
(CHEMBL410931)Show SMILES Fc1ccc(cc1)C(Cl)Cn1ncc2c(NCc3ccccc3)ncnc12 |w:7.8| Show InChI InChI=1S/C20H17ClFN5/c21-18(15-6-8-16(22)9-7-15)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
| 440 | 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 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)) | BDBM50142887
(1-(tert-butyl)-3-(4-chlorophenyl)-4-aminopyrazolo[...)Show InChI InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 500 | 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 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)) | BDBM50354487
(CHEMBL270958)Show SMILES Fc1ccccc1CNc1ncnc2n(CC(Cl)c3ccccc3)ncc12 |w:16.17| Show InChI InChI=1S/C20H17ClFN5/c21-17(14-6-2-1-3-7-14)12-27-20-16(11-26-27)19(24-13-25-20)23-10-15-8-4-5-9-18(15)22/h1-9,11,13,17H,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
| 730 | 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 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)) | BDBM50354488
(CHEMBL272169)Show SMILES Fc1ccc(CNc2ncnc3n(CC(Cl)c4ccccc4)ncc23)cc1 |w:14.14| Show InChI InChI=1S/C20H17ClFN5/c21-18(15-4-2-1-3-5-15)12-27-20-17(11-26-27)19(24-13-25-20)23-10-14-6-8-16(22)9-7-14/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
| 2.00E+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 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 | |