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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for UniProtKB: P42566   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Epidermal growth factor receptor substrate 15


(Homo sapiens)
BDBM50453870
PNG
(CHEMBL4215523)
Show SMILES CC(=O)N(CCCC[C@@H]1NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)c1ccccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12 |r,wU:60.62,52.54,45.45,25.25,16.16,8.7,wD:34.34,(19.21,-22.95,;17.92,-23.89,;18.09,-25.48,;16.46,-23.24,;16.29,-21.65,;17.58,-20.7,;17.4,-19.11,;18.69,-18.17,;18.52,-16.58,;19.84,-15.8,;19.83,-14.27,;18.48,-13.52,;21.14,-13.49,;21.13,-11.96,;22.45,-11.18,;23.77,-11.93,;22.43,-9.65,;23.75,-8.87,;25.08,-9.62,;26.4,-8.85,;26.4,-7.31,;27.74,-9.6,;21.1,-8.89,;21.08,-7.35,;22.41,-6.58,;19.76,-6.6,;19.76,-5.05,;21.07,-4.29,;21.06,-2.75,;19.73,-2,;22.39,-1.98,;18.44,-7.37,;17.1,-6.62,;17.1,-5.09,;15.79,-7.39,;15.8,-8.93,;17.13,-9.67,;17.14,-11.21,;18.48,-11.96,;19.79,-11.18,;19.78,-9.66,;18.45,-8.9,;14.45,-6.63,;13.13,-7.41,;13.14,-8.94,;11.77,-6.73,;11.3,-5.3,;9.8,-5.31,;9.34,-6.74,;10.56,-7.61,;10.46,-9.14,;11.74,-9.99,;9.67,-10.45,;8.14,-10.42,;7.4,-9.08,;5.87,-9.06,;8.19,-7.77,;10.41,-11.79,;9.62,-13.11,;8.1,-13.08,;10.37,-14.43,;9.59,-15.75,;8.05,-15.73,;7.28,-17.05,;5.74,-17.03,;4.98,-15.68,;3.45,-15.66,;5.78,-14.36,;7.31,-14.39,;13.19,-16.24,;16.27,-15.85,;16.39,-13.81,;15.38,-25.19,;16.52,-26.64,;13.7,-24.73,;13.67,-23.14,;12.27,-22.36,;10.9,-23.19,;10.93,-24.79,;12.33,-25.56,;12.35,-27.15,;10.99,-27.98,;9.6,-27.21,;8.23,-28.02,;8.26,-29.62,;6.89,-30.45,;9.65,-30.39,;11.01,-29.58,;12.4,-30.34,;13.76,-29.53,;15.15,-30.31,;16.52,-29.5,;17.92,-30.28,;16.5,-27.9,;15.11,-27.11,;13.74,-27.93,)|
Show InChI InChI=1S/C67H72N10O19/c1-36(78)76(66(94)43-13-6-5-12-42(43)59-44-22-20-40(80)32-53(44)96-54-33-41(81)21-23-45(54)59)28-8-7-14-46-61(89)73-49(31-38-16-18-39(79)19-17-38)64(92)75-51(34-55(68)82)67(95)77-29-9-15-52(77)65(93)74-50(30-37-10-3-2-4-11-37)63(91)72-48(25-27-58(86)87)62(90)71-47(24-26-57(84)85)60(88)69-35-56(83)70-46/h2-6,10-13,16-23,32-33,46-52,79-80H,7-9,14-15,24-31,34-35H2,1H3,(H2,68,82)(H,69,88)(H,70,83)(H,71,90)(H,72,91)(H,73,89)(H,74,93)(H,75,92)(H,84,85)(H,86,87)/t46-,47-,48-,49-,50-,51-,52-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Binding affinity to GST-fused Eps15 EH2 domain (unknown origin) expressed in Escherichia coli BL21 cells under high salt condition by fluorescence po...


Bioorg Med Chem 26: 1206-1211 (2018)


Article DOI: 10.1016/j.bmc.2017.09.007
BindingDB Entry DOI: 10.7270/Q2CN76G0
More data for this
Ligand-Target Pair