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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 = 'BDBM218790'   
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))
BDBM218790
PNG
(λ_hNOXA | Ac-λATQLRRFGDKLNFRQKLLN-NH2)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)C(CNC(=O)CCl)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(N)=O |r|
Show InChI InChI=1S/C110H182ClN37O29/c1-55(2)43-72(143-98(168)70(35-37-82(115)152)139-107(177)88(60(10)149)148-90(160)59(9)130-106(176)80(131-61(11)150)53-128-85(155)52-111)99(169)136-66(31-22-40-125-108(119)120)92(162)134-68(33-24-42-127-110(123)124)96(166)145-76(47-62-25-14-12-15-26-62)91(161)129-54-86(156)132-79(51-87(157)158)105(175)135-65(30-19-21-39-113)95(165)142-75(46-58(7)8)102(172)147-78(50-84(117)154)104(174)146-77(48-63-27-16-13-17-28-63)103(173)137-67(32-23-41-126-109(121)122)93(163)138-69(34-36-81(114)151)97(167)133-64(29-18-20-38-112)94(164)141-74(45-57(5)6)101(171)144-73(44-56(3)4)100(170)140-71(89(118)159)49-83(116)153/h12-17,25-28,55-60,64-80,88,149H,18-24,29-54,112-113H2,1-11H3,(H2,114,151)(H2,115,152)(H2,116,153)(H2,117,154)(H2,118,159)(H,128,155)(H,129,161)(H,130,176)(H,131,150)(H,132,156)(H,133,167)(H,134,162)(H,135,175)(H,136,169)(H,137,173)(H,138,163)(H,139,177)(H,140,170)(H,141,164)(H,142,165)(H,143,168)(H,144,171)(H,145,166)(H,146,174)(H,147,172)(H,148,160)(H,157,158)(H4,119,120,125)(H4,121,122,126)(H4,123,124,127)/t59-,60+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80?,88-/m0/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 233n/an/an/an/an/an/a



University of California, Riverside



Assay Description
One hundred microliters of a 600 ng/mL solution of biotin-BID (Biotin-lc-EDIIRNIARHLAQVGDSMDR-NH2, where lc indicates a hydrocarbon chain of six meth...


ACS Chem Biol 12: 444-455 (2017)


Article DOI: 10.1021/acschembio.6b00962
BindingDB Entry DOI: 10.7270/Q2P26WZ3
More data for this
Ligand-Target Pair