Found 15 hits of Enzyme Inhibition Constant Data 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)) | BDBM50105859
(CHEMBL3597605)Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-n1cc(cn1)-c1cccnc1 Show InChI InChI=1S/C23H17F3N4O/c1-15-7-8-20(29-22(31)16-4-2-6-19(10-16)23(24,25)26)11-21(15)30-14-18(13-28-30)17-5-3-9-27-12-17/h2-14H,1H3,(H,29,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing University of Technology
Curated by ChEMBL
| Assay Description Inhibition of BCR-ABL1 (unknown origin) assessed as ATP remaining by Kinase-Glo luminescent kinase assay |
Bioorg Med Chem 23: 3147-52 (2015)
Article DOI: 10.1016/j.bmc.2015.04.083 BindingDB Entry DOI: 10.7270/Q2JS9S64 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50105858
(CHEMBL3597606)Show SMILES Cc1ccc(NC(=O)c2cccc(Cl)c2)cc1-n1cc(cn1)-c1cccnc1 Show InChI InChI=1S/C22H17ClN4O/c1-15-7-8-20(26-22(28)16-4-2-6-19(23)10-16)11-21(15)27-14-18(13-25-27)17-5-3-9-24-12-17/h2-14H,1H3,(H,26,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing University of Technology
Curated by ChEMBL
| Assay Description Inhibition of BCR-ABL1 (unknown origin) assessed as ATP remaining by Kinase-Glo luminescent kinase assay |
Bioorg Med Chem 23: 3147-52 (2015)
Article DOI: 10.1016/j.bmc.2015.04.083 BindingDB Entry DOI: 10.7270/Q2JS9S64 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50105847
(CHEMBL3597701)Show SMILES CCN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(c2)-n2cc(cn2)-c2cccnc2)CC1 Show InChI InChI=1S/C29H32N6O/c1-3-33-13-15-34(16-14-33)20-23-7-9-24(10-8-23)29(36)32-27-11-6-22(2)28(17-27)35-21-26(19-31-35)25-5-4-12-30-18-25/h4-12,17-19,21H,3,13-16,20H2,1-2H3,(H,32,36) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing University of Technology
Curated by ChEMBL
| Assay Description Inhibition of BCR-ABL1 (unknown origin) assessed as ATP remaining by Kinase-Glo luminescent kinase assay |
Bioorg Med Chem 23: 3147-52 (2015)
Article DOI: 10.1016/j.bmc.2015.04.083 BindingDB Entry DOI: 10.7270/Q2JS9S64 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50105849
(CHEMBL3597615)Show SMILES CN1CCCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(c2)-n2cc(cn2)-c2cccnc2)CC1 Show InChI InChI=1S/C29H32N6O/c1-22-6-11-27(17-28(22)35-21-26(19-31-35)25-5-3-12-30-18-25)32-29(36)24-9-7-23(8-10-24)20-34-14-4-13-33(2)15-16-34/h3,5-12,17-19,21H,4,13-16,20H2,1-2H3,(H,32,36) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing University of Technology
Curated by ChEMBL
| Assay Description Inhibition of BCR-ABL1 (unknown origin) assessed as ATP remaining by Kinase-Glo luminescent kinase assay |
Bioorg Med Chem 23: 3147-52 (2015)
Article DOI: 10.1016/j.bmc.2015.04.083 BindingDB Entry DOI: 10.7270/Q2JS9S64 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50105856
(CHEMBL3597608)Show SMILES CCc1ccc(cc1)C(=O)Nc1ccc(C)c(c1)-n1cc(cn1)-c1cccnc1 Show InChI InChI=1S/C24H22N4O/c1-3-18-7-9-19(10-8-18)24(29)27-22-11-6-17(2)23(13-22)28-16-21(15-26-28)20-5-4-12-25-14-20/h4-16H,3H2,1-2H3,(H,27,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing University of Technology
Curated by ChEMBL
| Assay Description Inhibition of BCR-ABL1 (unknown origin) assessed as ATP remaining by Kinase-Glo luminescent kinase assay |
Bioorg Med Chem 23: 3147-52 (2015)
Article DOI: 10.1016/j.bmc.2015.04.083 BindingDB Entry DOI: 10.7270/Q2JS9S64 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50105855
(CHEMBL3597609)Show SMILES Cc1ccc(NC(=O)c2ccc(cc2)C(F)(F)F)cc1-n1cc(cn1)-c1cccnc1 Show InChI InChI=1S/C23H17F3N4O/c1-15-4-9-20(29-22(31)16-5-7-19(8-6-16)23(24,25)26)11-21(15)30-14-18(13-28-30)17-3-2-10-27-12-17/h2-14H,1H3,(H,29,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing University of Technology
Curated by ChEMBL
| Assay Description Inhibition of BCR-ABL1 (unknown origin) assessed as ATP remaining by Kinase-Glo luminescent kinase assay |
Bioorg Med Chem 23: 3147-52 (2015)
Article DOI: 10.1016/j.bmc.2015.04.083 BindingDB Entry DOI: 10.7270/Q2JS9S64 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50105854
(CHEMBL3597610)Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(C)c(c1)-n1cc(cn1)-c1cccnc1 Show InChI InChI=1S/C23H20N4O2/c1-16-5-8-20(26-23(28)17-6-9-21(29-2)10-7-17)12-22(16)27-15-19(14-25-27)18-4-3-11-24-13-18/h3-15H,1-2H3,(H,26,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing University of Technology
Curated by ChEMBL
| Assay Description Inhibition of BCR-ABL1 (unknown origin) assessed as ATP remaining by Kinase-Glo luminescent kinase assay |
Bioorg Med Chem 23: 3147-52 (2015)
Article DOI: 10.1016/j.bmc.2015.04.083 BindingDB Entry DOI: 10.7270/Q2JS9S64 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50105853
(CHEMBL3597611)Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(c2)-n2cc(cn2)-c2cccnc2)CC1 Show InChI InChI=1S/C28H30N6O/c1-21-5-10-26(16-27(21)34-20-25(18-30-34)24-4-3-11-29-17-24)31-28(35)23-8-6-22(7-9-23)19-33-14-12-32(2)13-15-33/h3-11,16-18,20H,12-15,19H2,1-2H3,(H,31,35) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing University of Technology
Curated by ChEMBL
| Assay Description Inhibition of BCR-ABL1 (unknown origin) assessed as ATP remaining by Kinase-Glo luminescent kinase assay |
Bioorg Med Chem 23: 3147-52 (2015)
Article DOI: 10.1016/j.bmc.2015.04.083 BindingDB Entry DOI: 10.7270/Q2JS9S64 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50105848
(CHEMBL3597700)Show SMILES Cc1ccc(NC(=O)c2ccc(CN3CCCC3)cc2)cc1-n1cc(cn1)-c1cccnc1 Show InChI InChI=1S/C27H27N5O/c1-20-6-11-25(15-26(20)32-19-24(17-29-32)23-5-4-12-28-16-23)30-27(33)22-9-7-21(8-10-22)18-31-13-2-3-14-31/h4-12,15-17,19H,2-3,13-14,18H2,1H3,(H,30,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 117 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing University of Technology
Curated by ChEMBL
| Assay Description Inhibition of BCR-ABL1 (unknown origin) assessed as ATP remaining by Kinase-Glo luminescent kinase assay |
Bioorg Med Chem 23: 3147-52 (2015)
Article DOI: 10.1016/j.bmc.2015.04.083 BindingDB Entry DOI: 10.7270/Q2JS9S64 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 122 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing University of Technology
Curated by ChEMBL
| Assay Description Inhibition of BCR-ABL1 (unknown origin) assessed as ATP remaining by Kinase-Glo luminescent kinase assay |
Bioorg Med Chem 23: 3147-52 (2015)
Article DOI: 10.1016/j.bmc.2015.04.083 BindingDB Entry DOI: 10.7270/Q2JS9S64 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50105850
(CHEMBL3597614)Show SMILES CCN(CC)Cc1ccc(cc1)C(=O)Nc1ccc(C)c(c1)-n1cc(cn1)-c1cccnc1 Show InChI InChI=1S/C27H29N5O/c1-4-31(5-2)18-21-9-11-22(12-10-21)27(33)30-25-13-8-20(3)26(15-25)32-19-24(17-29-32)23-7-6-14-28-16-23/h6-17,19H,4-5,18H2,1-3H3,(H,30,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 129 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing University of Technology
Curated by ChEMBL
| Assay Description Inhibition of BCR-ABL1 (unknown origin) assessed as ATP remaining by Kinase-Glo luminescent kinase assay |
Bioorg Med Chem 23: 3147-52 (2015)
Article DOI: 10.1016/j.bmc.2015.04.083 BindingDB Entry DOI: 10.7270/Q2JS9S64 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50105846
(CHEMBL3597702)Show SMILES Cc1ccc(NC(=O)c2ccc(CN3CCN(CCO)CC3)cc2)cc1-n1cc(cn1)-c1cccnc1 Show InChI InChI=1S/C29H32N6O2/c1-22-4-9-27(17-28(22)35-21-26(19-31-35)25-3-2-10-30-18-25)32-29(37)24-7-5-23(6-8-24)20-34-13-11-33(12-14-34)15-16-36/h2-10,17-19,21,36H,11-16,20H2,1H3,(H,32,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 175 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing University of Technology
Curated by ChEMBL
| Assay Description Inhibition of BCR-ABL1 (unknown origin) assessed as ATP remaining by Kinase-Glo luminescent kinase assay |
Bioorg Med Chem 23: 3147-52 (2015)
Article DOI: 10.1016/j.bmc.2015.04.083 BindingDB Entry DOI: 10.7270/Q2JS9S64 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50105852
(CHEMBL3597612)Show SMILES Cc1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1-n1cc(cn1)-c1cccnc1 Show InChI InChI=1S/C27H27N5O2/c1-20-4-9-25(15-26(20)32-19-24(17-29-32)23-3-2-10-28-16-23)30-27(33)22-7-5-21(6-8-22)18-31-11-13-34-14-12-31/h2-10,15-17,19H,11-14,18H2,1H3,(H,30,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 178 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing University of Technology
Curated by ChEMBL
| Assay Description Inhibition of BCR-ABL1 (unknown origin) assessed as ATP remaining by Kinase-Glo luminescent kinase assay |
Bioorg Med Chem 23: 3147-52 (2015)
Article DOI: 10.1016/j.bmc.2015.04.083 BindingDB Entry DOI: 10.7270/Q2JS9S64 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50105857
(CHEMBL3597607)Show SMILES Cc1ccc(NC(=O)c2ccc(F)cc2)cc1-n1cc(cn1)-c1cccnc1 Show InChI InChI=1S/C22H17FN4O/c1-15-4-9-20(26-22(28)16-5-7-19(23)8-6-16)11-21(15)27-14-18(13-25-27)17-3-2-10-24-12-17/h2-14H,1H3,(H,26,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 214 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing University of Technology
Curated by ChEMBL
| Assay Description Inhibition of BCR-ABL1 (unknown origin) assessed as ATP remaining by Kinase-Glo luminescent kinase assay |
Bioorg Med Chem 23: 3147-52 (2015)
Article DOI: 10.1016/j.bmc.2015.04.083 BindingDB Entry DOI: 10.7270/Q2JS9S64 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50105851
(CHEMBL3597613)Show SMILES Cc1ccc(NC(=O)c2ccc(Cn3ccnc3)cc2)cc1-n1cc(cn1)-c1cccnc1 Show InChI InChI=1S/C26H22N6O/c1-19-4-9-24(13-25(19)32-17-23(15-29-32)22-3-2-10-27-14-22)30-26(33)21-7-5-20(6-8-21)16-31-12-11-28-18-31/h2-15,17-18H,16H2,1H3,(H,30,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 326 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing University of Technology
Curated by ChEMBL
| Assay Description Inhibition of BCR-ABL1 (unknown origin) assessed as ATP remaining by Kinase-Glo luminescent kinase assay |
Bioorg Med Chem 23: 3147-52 (2015)
Article DOI: 10.1016/j.bmc.2015.04.083 BindingDB Entry DOI: 10.7270/Q2JS9S64 |
More data for this Ligand-Target Pair | |