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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protein Mdm4' and Ligand = 'BDBM50339170'   
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
Protein Mdm4


(Homo sapiens (Human))
BDBM50339170
PNG
(CHEMBL1689402)
Show SMILES COc1ccc(cc1)-n1nnc(n1)C(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCNC(=O)C(C)=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r,wU:52.66,32.39,20.22,118.128,103.116,78.90,wD:41.50,24.30,133.138,114.120,127.134,89.104,66.79,(48.94,2.99,;47.41,3.14,;46.51,1.9,;47.14,.51,;46.24,-.74,;44.71,-.58,;44.08,.81,;44.97,2.06,;43.81,-1.83,;42.27,-1.83,;41.8,-3.28,;43.05,-4.19,;44.29,-3.3,;43.05,-5.73,;44.38,-6.5,;41.72,-6.5,;41.72,-8.04,;40.39,-8.81,;40.39,-10.35,;39.06,-11.12,;39.06,-12.66,;37.72,-13.43,;36.39,-12.66,;36.39,-11.11,;35.06,-13.43,;35.06,-14.97,;36.39,-15.74,;36.39,-17.28,;37.73,-14.97,;33.72,-12.67,;32.38,-13.44,;32.38,-14.98,;31.05,-12.66,;31.05,-11.12,;32.38,-10.35,;32.38,-8.8,;31.04,-8.03,;33.72,-8.04,;29.71,-13.44,;28.38,-12.67,;28.38,-11.13,;27.04,-13.44,;27.04,-14.98,;28.37,-15.75,;28.37,-17.29,;29.7,-18.05,;29.7,-19.59,;31.03,-20.36,;28.37,-20.36,;25.71,-12.67,;24.37,-13.44,;24.37,-14.98,;23.03,-12.68,;23.03,-11.13,;24.37,-10.36,;25.77,-10.98,;26.81,-9.83,;26.03,-8.5,;26.51,-7.02,;25.47,-5.89,;23.97,-6.22,;23.49,-7.68,;24.52,-8.82,;21.69,-13.45,;20.37,-12.68,;20.37,-11.13,;19.03,-13.45,;19.03,-14.99,;20.37,-15.77,;21.7,-14.99,;23.04,-15.76,;23.04,-17.3,;24.37,-18.07,;21.71,-18.07,;20.37,-17.31,;17.69,-12.68,;16.36,-13.45,;16.36,-14.99,;15.02,-12.69,;15.02,-11.14,;16.35,-10.37,;16.35,-8.84,;17.68,-8.07,;17.68,-6.53,;19.02,-5.76,;16.35,-5.76,;13.68,-13.46,;12.35,-12.69,;12.35,-11.14,;11.02,-13.46,;11.02,-15,;9.69,-15.77,;9.69,-17.31,;8.36,-18.08,;8.36,-19.61,;7.03,-20.38,;5.7,-19.62,;7.03,-21.92,;5.7,-22.69,;8.37,-22.69,;9.68,-12.7,;8.34,-13.47,;8.34,-15.01,;7.01,-12.69,;7.01,-11.15,;8.34,-10.38,;9.67,-11.15,;11.01,-10.37,;11.01,-8.83,;9.67,-8.06,;8.33,-8.83,;5.67,-13.47,;4.34,-12.7,;4.34,-11.16,;3,-13.47,;1.67,-12.7,;.32,-13.47,;.32,-15.01,;-1.01,-12.7,;-1.01,-11.16,;.32,-10.39,;.32,-8.84,;1.66,-11.16,;-2.35,-13.47,;-3.68,-12.7,;-5.01,-13.47,;-3.67,-11.16,;3,-15.01,;1.67,-15.78,;4.34,-15.78,;40.4,-13.42,;40.4,-14.96,;41.74,-12.65,;43.07,-13.42,;43.07,-14.96,;44.41,-15.74,;44.41,-12.65,;45.74,-13.42,;44.41,-11.1,)|
Show InChI InChI=1S/C92H133N27O20/c1-50(2)43-68(104-54(8)122)88(136)115-75(53(7)121)89(137)113-71(45-55-21-11-10-12-22-55)85(133)107-63(25-15-17-39-99-78(126)52(5)6)79(127)105-66(28-20-42-102-92(97)98)81(129)111-70(46-56-29-33-59(123)34-30-56)86(134)112-72(47-57-48-103-62-24-14-13-23-61(57)62)87(135)108-65(27-19-41-101-91(95)96)80(128)109-67(37-38-74(93)124)83(131)110-69(44-51(3)4)84(132)106-64(82(130)114-73(49-120)76(94)125)26-16-18-40-100-90(138)77-116-118-119(117-77)58-31-35-60(139-9)36-32-58/h10-14,21-24,29-36,48,50-51,53,63-73,75,103,120-121,123H,5,15-20,25-28,37-47,49H2,1-4,6-9H3,(H2,93,124)(H2,94,125)(H,99,126)(H,100,138)(H,104,122)(H,105,127)(H,106,132)(H,107,133)(H,108,135)(H,109,128)(H,110,131)(H,111,129)(H,112,134)(H,113,137)(H,114,130)(H,115,136)(H4,95,96,101)(H4,97,98,102)/t53-,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,75+/m1/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 410n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged MDMX expressed in Escherichia coli harboring integrated p53-Hmd2 protein assessed as blockade of enzyme-p53 interactio...


Bioorg Med Chem Lett 21: 1472-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.004
BindingDB Entry DOI: 10.7270/Q2M32W33
More data for this
Ligand-Target Pair