Found 5 hits for monomerid = 50224372 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)) | BDBM50224372
(1-(2-chloro-2-phenylethyl)-N-(4-fluorobenzyl)-6-(m...)Show SMILES CSc1nc(NCc2ccc(F)cc2)c2cnn(CC(Cl)c3ccccc3)c2n1 |w:19.20| Show InChI InChI=1S/C21H19ClFN5S/c1-29-21-26-19(24-11-14-7-9-16(23)10-8-14)17-12-25-28(20(17)27-21)13-18(22)15-5-3-2-4-6-15/h2-10,12,18H,11,13H2,1H3,(H,24,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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 Inhibition of human recombinant Abl |
Eur J Med Chem 44: 3712-7 (2009)
Article DOI: 10.1016/j.ejmech.2009.03.039 BindingDB Entry DOI: 10.7270/Q2SF2W6F |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50224372
(1-(2-chloro-2-phenylethyl)-N-(4-fluorobenzyl)-6-(m...)Show SMILES CSc1nc(NCc2ccc(F)cc2)c2cnn(CC(Cl)c3ccccc3)c2n1 |w:19.20| Show InChI InChI=1S/C21H19ClFN5S/c1-29-21-26-19(24-11-14-7-9-16(23)10-8-14)17-12-25-28(20(17)27-21)13-18(22)15-5-3-2-4-6-15/h2-10,12,18H,11,13H2,1H3,(H,24,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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 |
University of Siena
Curated by ChEMBL
| Assay Description Inhibition human recombinant Abl using Abtide peptide substrate in presence of [gamma-32P]-ATP |
Bioorg Med Chem Lett 21: 5928-33 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.079 BindingDB Entry DOI: 10.7270/Q29G5N6P |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50224372
(1-(2-chloro-2-phenylethyl)-N-(4-fluorobenzyl)-6-(m...)Show SMILES CSc1nc(NCc2ccc(F)cc2)c2cnn(CC(Cl)c3ccccc3)c2n1 |w:19.20| Show InChI InChI=1S/C21H19ClFN5S/c1-29-21-26-19(24-11-14-7-9-16(23)10-8-14)17-12-25-28(20(17)27-21)13-18(22)15-5-3-2-4-6-15/h2-10,12,18H,11,13H2,1H3,(H,24,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.60E+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 human recombinant cSRC using KVEKIGEGTYGVVYK peptide substrate in presence of [gamma-32P]-ATP |
Bioorg Med Chem Lett 21: 5928-33 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.079 BindingDB Entry DOI: 10.7270/Q29G5N6P |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50224372
(1-(2-chloro-2-phenylethyl)-N-(4-fluorobenzyl)-6-(m...)Show SMILES CSc1nc(NCc2ccc(F)cc2)c2cnn(CC(Cl)c3ccccc3)c2n1 |w:19.20| Show InChI InChI=1S/C21H19ClFN5S/c1-29-21-26-19(24-11-14-7-9-16(23)10-8-14)17-12-25-28(20(17)27-21)13-18(22)15-5-3-2-4-6-15/h2-10,12,18H,11,13H2,1H3,(H,24,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Siena
Curated by ChEMBL
| Assay Description Inhibition of human recombinant Src |
J Med Chem 50: 5579-88 (2007)
Article DOI: 10.1021/jm061449r BindingDB Entry DOI: 10.7270/Q2HX1CDW |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50224372
(1-(2-chloro-2-phenylethyl)-N-(4-fluorobenzyl)-6-(m...)Show SMILES CSc1nc(NCc2ccc(F)cc2)c2cnn(CC(Cl)c3ccccc3)c2n1 |w:19.20| Show InChI InChI=1S/C21H19ClFN5S/c1-29-21-26-19(24-11-14-7-9-16(23)10-8-14)17-12-25-28(20(17)27-21)13-18(22)15-5-3-2-4-6-15/h2-10,12,18H,11,13H2,1H3,(H,24,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.60E+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 Inhibition of human recombinant Src |
Eur J Med Chem 44: 3712-7 (2009)
Article DOI: 10.1016/j.ejmech.2009.03.039 BindingDB Entry DOI: 10.7270/Q2SF2W6F |
More data for this Ligand-Target Pair | |