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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM218789'   
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
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM218789
PNG
(Ac-hCATQLRRFGDKLNFRQKLLN-NH2 | homo_hNOXA)
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@H](CCS)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/C109H182N36O28S/c1-55(2)45-73(140-98(165)70(35-37-82(113)149)136-106(173)87(60(10)146)145-89(156)59(9)127-91(158)71(38-44-174)128-61(11)147)99(166)133-66(31-22-41-123-107(117)118)92(159)131-68(33-24-43-125-109(121)122)96(163)142-77(49-62-25-14-12-15-26-62)90(157)126-54-85(152)129-80(53-86(153)154)105(172)132-65(30-19-21-40-111)95(162)139-76(48-58(7)8)102(169)144-79(52-84(115)151)104(171)143-78(50-63-27-16-13-17-28-63)103(170)134-67(32-23-42-124-108(119)120)93(160)135-69(34-36-81(112)148)97(164)130-64(29-18-20-39-110)94(161)138-75(47-57(5)6)101(168)141-74(46-56(3)4)100(167)137-72(88(116)155)51-83(114)150/h12-17,25-28,55-60,64-80,87,146,174H,18-24,29-54,110-111H2,1-11H3,(H2,112,148)(H2,113,149)(H2,114,150)(H2,115,151)(H2,116,155)(H,126,157)(H,127,158)(H,128,147)(H,129,152)(H,130,164)(H,131,159)(H,132,172)(H,133,166)(H,134,170)(H,135,160)(H,136,173)(H,137,167)(H,138,161)(H,139,162)(H,140,165)(H,141,168)(H,142,163)(H,143,171)(H,144,169)(H,145,156)(H,153,154)(H4,117,118,123)(H4,119,120,124)(H4,121,122,125)/t59-,60+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,87-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+3n/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