Found 2 hits Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM3431' 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 |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3431
(3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[3-(diet...)Show SMILES CCN(CC)CCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1c(Cl)cccc1Cl |(-13.7,2.41,;-12.93,1.08,;-11.44,.68,;-11.24,-.85,;-9.82,-1.44,;-10.11,1.45,;-8.78,.68,;-7.44,1.45,;-6.11,.68,;-4.78,1.45,;-4.78,2.99,;-3.44,3.76,;-2.11,2.99,;-.77,3.76,;.56,2.99,;.56,1.45,;1.89,.68,;1.89,-.86,;.56,-1.63,;3.23,-1.63,;4.56,-.86,;5.89,-1.63,;4.56,.68,;5.89,-.09,;-.77,.68,;-2.11,1.45,;-3.44,.68,;1.89,3.76,;1.89,5.3,;.56,6.07,;3.23,6.07,;4.56,5.3,;4.56,3.76,;3.23,2.99,;3.23,1.45,)| Show InChI InChI=1S/C25H33Cl2N7O/c1-6-34(7-2)13-9-12-28-23-29-15-16-14-17(20-18(26)10-8-11-19(20)27)22(30-21(16)31-23)32-24(35)33-25(3,4)5/h8,10-11,14-15H,6-7,9,12-13H2,1-5H3,(H3,28,29,30,31,32,33,35) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Pharmaceutical Research
Curated by ChEMBL
| Assay Description Inhibition of C-src tyrosine kinase |
J Med Chem 40: 2296-303 (1997)
Article DOI: 10.1021/jm970367n BindingDB Entry DOI: 10.7270/Q2Z31XRR |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3431
(3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[3-(diet...)Show SMILES CCN(CC)CCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1c(Cl)cccc1Cl |(-13.7,2.41,;-12.93,1.08,;-11.44,.68,;-11.24,-.85,;-9.82,-1.44,;-10.11,1.45,;-8.78,.68,;-7.44,1.45,;-6.11,.68,;-4.78,1.45,;-4.78,2.99,;-3.44,3.76,;-2.11,2.99,;-.77,3.76,;.56,2.99,;.56,1.45,;1.89,.68,;1.89,-.86,;.56,-1.63,;3.23,-1.63,;4.56,-.86,;5.89,-1.63,;4.56,.68,;5.89,-.09,;-.77,.68,;-2.11,1.45,;-3.44,.68,;1.89,3.76,;1.89,5.3,;.56,6.07,;3.23,6.07,;4.56,5.3,;4.56,3.76,;3.23,2.99,;3.23,1.45,)| Show InChI InChI=1S/C25H33Cl2N7O/c1-6-34(7-2)13-9-12-28-23-29-15-16-14-17(20-18(26)10-8-11-19(20)27)22(30-21(16)31-23)32-24(35)33-25(3,4)5/h8,10-11,14-15H,6-7,9,12-13H2,1-5H3,(H3,28,29,30,31,32,33,35) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 73 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Pfizer
| Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291 BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this Ligand-Target Pair | |