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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Abelson tyrosine-kinase 1 SH2 domain (ABL SH2)' and Ligand = 'BDBM231649'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Abelson tyrosine-kinase 1 SH2 domain (ABL SH2)


(Homo sapiens (Human))
BDBM231649
PNG
(EDDTpYDGYE | pY482)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1/C46H60N9O26P/c1-20(56)38(55-44(74)31(18-37(67)68)53-43(73)30(17-36(65)66)51-39(69)25(47)10-12-33(59)60)45(75)54-28(15-22-4-8-24(9-5-22)81-82(78,79)80)42(72)52-29(16-35(63)64)40(70)48-19-32(58)49-27(14-21-2-6-23(57)7-3-21)41(71)50-26(46(76)77)11-13-34(61)62/h2-9,20,25-31,38,56-57H,10-19,47H2,1H3,(H,48,70)(H,49,58)(H,50,71)(H,51,69)(H,52,72)(H,53,73)(H,54,75)(H,55,74)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H,67,68)(H,76,77)(H2,78,79,80)/t20-,25+,26+,27+,28+,29+,30+,31+,38+/s2
PDB

GoogleScholar
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a>6.19E+4n/an/an/a7.25n/a



Yale University



Assay Description
SH2 domains were dialyzed into binding buffer (50 mM Hepes, pH 7.25, 150 mM NaCl, 0.01% Nonidet P-40, 5% glycerol) and a 30-μl volume serially d...


J Biol Chem 289: 19704-13 (2014)


Article DOI: 10.1074/jbc.M114.556480
BindingDB Entry DOI: 10.7270/Q2KW5DXT
More data for this
Ligand-Target Pair