Found 12 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)) | 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 |
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)) | BDBM13216
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27) | 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
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cairo University
Curated by ChEMBL
| Assay Description Inhibition of wild type recombinant human Abl using abtide as substrate by [gamma-32P]ATP based assay |
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 | 3D Structure (crystal) |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50206297
(CHEMBL3911525)Show SMILES O=C(NNc1nc2n(ncc2c(=O)n1-c1ccccc1)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H18N6O2/c31-22(17-10-4-1-5-11-17)27-28-24-26-21-20(16-25-30(21)19-14-8-3-9-15-19)23(32)29(24)18-12-6-2-7-13-18/h1-16H,(H,26,28)(H,27,31) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cairo University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human Src using KVEKIGEGTYGVVYK as substrate by [gamma-32P]ATP based assay |
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)) | BDBM50206301
(CHEMBL3954137)Show SMILES COc1ccc(cc1)-c1nnc2n(-c3ccccc3)c(=O)c3cnn(-c4ccccc4)c3n12 Show InChI InChI=1S/C25H18N6O2/c1-33-20-14-12-17(13-15-20)22-27-28-25-29(18-8-4-2-5-9-18)24(32)21-16-26-31(23(21)30(22)25)19-10-6-3-7-11-19/h2-16H,1H3 | 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 | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cairo University
Curated by ChEMBL
| Assay Description Inhibition of wild type recombinant human Abl using abtide as substrate by [gamma-32P]ATP based assay |
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)) | BDBM50206297
(CHEMBL3911525)Show SMILES O=C(NNc1nc2n(ncc2c(=O)n1-c1ccccc1)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H18N6O2/c31-22(17-10-4-1-5-11-17)27-28-24-26-21-20(16-25-30(21)19-14-8-3-9-15-19)23(32)29(24)18-12-6-2-7-13-18/h1-16H,(H,26,28)(H,27,31) | 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 | 2.09E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cairo University
Curated by ChEMBL
| Assay Description Inhibition of wild type recombinant human Abl using abtide as substrate by [gamma-32P]ATP based assay |
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 | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50206296
(CHEMBL3904850)Show SMILES COc1ccc(cc1)C(=O)NNc1nc2n(ncc2c(=O)n1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C25H20N6O3/c1-34-20-14-12-17(13-15-20)23(32)28-29-25-27-22-21(16-26-31(22)19-10-6-3-7-11-19)24(33)30(25)18-8-4-2-5-9-18/h2-16H,1H3,(H,27,29)(H,28,32) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cairo University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human Src using KVEKIGEGTYGVVYK as substrate by [gamma-32P]ATP based assay |
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)) | BDBM50206296
(CHEMBL3904850)Show SMILES COc1ccc(cc1)C(=O)NNc1nc2n(ncc2c(=O)n1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C25H20N6O3/c1-34-20-14-12-17(13-15-20)23(32)28-29-25-27-22-21(16-26-31(22)19-10-6-3-7-11-19)24(33)30(25)18-8-4-2-5-9-18/h2-16H,1H3,(H,27,29)(H,28,32) | 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 | 2.61E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cairo University
Curated by ChEMBL
| Assay Description Inhibition of wild type recombinant human Abl using abtide as substrate by [gamma-32P]ATP based assay |
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)) | BDBM50206298
(CHEMBL3917521)Show SMILES O=c1n(-c2ccccc2)c2nnc(-c3ccccc3)n2c2n(ncc12)-c1ccccc1 Show InChI InChI=1S/C24H16N6O/c31-23-20-16-25-30(19-14-8-3-9-15-19)22(20)29-21(17-10-4-1-5-11-17)26-27-24(29)28(23)18-12-6-2-7-13-18/h1-16H | 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 | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cairo University
Curated by ChEMBL
| Assay Description Inhibition of wild type recombinant human Abl using abtide as substrate by [gamma-32P]ATP based assay |
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)) | BDBM50206300
(CHEMBL3967164)Show SMILES Clc1ccc(cc1)C(=O)NNc1nc2n(ncc2c(=O)n1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C24H17ClN6O2/c25-17-13-11-16(12-14-17)22(32)28-29-24-27-21-20(15-26-31(21)19-9-5-2-6-10-19)23(33)30(24)18-7-3-1-4-8-18/h1-15H,(H,27,29)(H,28,32) | 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 | 6.56E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cairo University
Curated by ChEMBL
| Assay Description Inhibition of wild type recombinant human Abl using abtide as substrate by [gamma-32P]ATP based assay |
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 | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50206301
(CHEMBL3954137)Show SMILES COc1ccc(cc1)-c1nnc2n(-c3ccccc3)c(=O)c3cnn(-c4ccccc4)c3n12 Show InChI InChI=1S/C25H18N6O2/c1-33-20-14-12-17(13-15-20)22-27-28-25-29(18-8-4-2-5-9-18)24(32)21-16-26-31(23(21)30(22)25)19-10-6-3-7-11-19/h2-16H,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cairo University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human Src using KVEKIGEGTYGVVYK as substrate by [gamma-32P]ATP based assay |
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)) | BDBM50206302
(CHEMBL3983676)Show SMILES Fc1ccc(\C=N\Nc2nc3n(ncc3c(=O)n2-c2ccccc2)-c2ccccc2)cc1 Show InChI InChI=1S/C24H17FN6O/c25-18-13-11-17(12-14-18)15-26-29-24-28-22-21(16-27-31(22)20-9-5-2-6-10-20)23(32)30(24)19-7-3-1-4-8-19/h1-16H,(H,28,29)/b26-15+ | 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 | 1.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Cairo University
Curated by ChEMBL
| Assay Description Inhibition of wild type recombinant human Abl using abtide as substrate by [gamma-32P]ATP based assay |
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)) | BDBM50206299
(CHEMBL3908573)Show SMILES O=c1n(-c2ccccc2)c2nnc(Nc3ccccc3)n2c2n(ncc12)-c1ccccc1 Show InChI InChI=1S/C24H17N7O/c32-22-20-16-25-31(19-14-8-3-9-15-19)21(20)30-23(26-17-10-4-1-5-11-17)27-28-24(30)29(22)18-12-6-2-7-13-18/h1-16H,(H,26,27) | 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 | 1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Cairo University
Curated by ChEMBL
| Assay Description Inhibition of wild type recombinant human Abl using abtide as substrate by [gamma-32P]ATP based assay |
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 | |