Found 5 hits for monomerid = 50343428 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/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)) | BDBM50343428
(1-(2-Chloro-2-phenylethyl)-N-(4-fluorobenzyl)-6-[(...)Show SMILES Fc1ccc(CNc2nc(SCCN3CCOCC3)nc3n(CC(Cl)c4ccccc4)ncc23)cc1 Show InChI InChI=1S/C26H28ClFN6OS/c27-23(20-4-2-1-3-5-20)18-34-25-22(17-30-34)24(29-16-19-6-8-21(28)9-7-19)31-26(32-25)36-15-12-33-10-13-35-14-11-33/h1-9,17,23H,10-16,18H2,(H,29,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 580 | 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)) | BDBM50343428
(1-(2-Chloro-2-phenylethyl)-N-(4-fluorobenzyl)-6-[(...)Show SMILES Fc1ccc(CNc2nc(SCCN3CCOCC3)nc3n(CC(Cl)c4ccccc4)ncc23)cc1 Show InChI InChI=1S/C26H28ClFN6OS/c27-23(20-4-2-1-3-5-20)18-34-25-22(17-30-34)24(29-16-19-6-8-21(28)9-7-19)31-26(32-25)36-15-12-33-10-13-35-14-11-33/h1-9,17,23H,10-16,18H2,(H,29,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 580 | 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)) | BDBM50343428
(1-(2-Chloro-2-phenylethyl)-N-(4-fluorobenzyl)-6-[(...)Show SMILES Fc1ccc(CNc2nc(SCCN3CCOCC3)nc3n(CC(Cl)c4ccccc4)ncc23)cc1 Show InChI InChI=1S/C26H28ClFN6OS/c27-23(20-4-2-1-3-5-20)18-34-25-22(17-30-34)24(29-16-19-6-8-21(28)9-7-19)31-26(32-25)36-15-12-33-10-13-35-14-11-33/h1-9,17,23H,10-16,18H2,(H,29,31,32) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.20E+3 | 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 c-Src |
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)) | BDBM50343428
(1-(2-Chloro-2-phenylethyl)-N-(4-fluorobenzyl)-6-[(...)Show SMILES Fc1ccc(CNc2nc(SCCN3CCOCC3)nc3n(CC(Cl)c4ccccc4)ncc23)cc1 Show InChI InChI=1S/C26H28ClFN6OS/c27-23(20-4-2-1-3-5-20)18-34-25-22(17-30-34)24(29-16-19-6-8-21(28)9-7-19)31-26(32-25)36-15-12-33-10-13-35-14-11-33/h1-9,17,23H,10-16,18H2,(H,29,31,32) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.20E+3 | 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-Src 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 Fyn
(Homo sapiens (Human)) | BDBM50343428
(1-(2-Chloro-2-phenylethyl)-N-(4-fluorobenzyl)-6-[(...)Show SMILES Fc1ccc(CNc2nc(SCCN3CCOCC3)nc3n(CC(Cl)c4ccccc4)ncc23)cc1 Show InChI InChI=1S/C26H28ClFN6OS/c27-23(20-4-2-1-3-5-20)18-34-25-22(17-30-34)24(29-16-19-6-8-21(28)9-7-19)31-26(32-25)36-15-12-33-10-13-35-14-11-33/h1-9,17,23H,10-16,18H2,(H,29,31,32) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.55E+4 | 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 | |