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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Induced myeloid leukemia cell differentiation protein Mcl-1' and Ligand = 'BDBM50393839'   
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
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50393839
PNG
(CHEMBL2159744)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C116H190N36O35S/c1-57(2)48-75(144-94(167)65(119)33-40-87(158)159)104(177)140-73(37-42-89(162)163)103(176)151-91(60(7)8)111(184)141-72(36-41-88(160)161)102(175)150-82(56-188)110(183)133-61(9)93(166)152-92(62(10)153)112(185)142-71(35-39-84(121)155)101(174)146-76(49-58(3)4)105(178)137-67(30-21-45-129-114(123)124)96(169)135-69(32-23-47-131-116(127)128)99(172)147-78(51-63-24-13-11-14-25-63)95(168)132-55-86(157)134-81(54-90(164)165)109(182)136-66(28-17-19-43-117)98(171)145-77(50-59(5)6)106(179)149-80(53-85(122)156)108(181)148-79(52-64-26-15-12-16-27-64)107(180)138-68(31-22-46-130-115(125)126)97(170)139-70(34-38-83(120)154)100(173)143-74(113(186)187)29-18-20-44-118/h11-16,24-27,57-62,65-82,91-92,153,188H,17-23,28-56,117-119H2,1-10H3,(H2,120,154)(H2,121,155)(H2,122,156)(H,132,168)(H,133,183)(H,134,157)(H,135,169)(H,136,182)(H,137,178)(H,138,180)(H,139,170)(H,140,177)(H,141,184)(H,142,185)(H,143,173)(H,144,167)(H,145,171)(H,146,174)(H,147,172)(H,148,181)(H,149,179)(H,150,175)(H,151,176)(H,152,166)(H,158,159)(H,160,161)(H,162,163)(H,164,165)(H,186,187)(H4,123,124,129)(H4,125,126,130)(H4,127,128,131)/t61-,62+,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,91-,92-/m0/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 37n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His8-tagged Mcl1 expressed in Escherichia coli BL21(DE3) assessed as inhibition of Fluorescein-labeled BID binding aft...


J Med Chem 55: 6149-61 (2012)


Article DOI: 10.1021/jm300608w
BindingDB Entry DOI: 10.7270/Q2J10485
More data for this
Ligand-Target Pair