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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 = 'BDBM218792'   
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))		BDBM218792
PNG
(Ac-AELPPEFAAQLRKIGDKVYC-NH2 | NOXA A)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(C)=O)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(N)=O |r|
Show InChI InChI=1S/C104H165N27O29S/c1-13-56(8)84(100(157)112-51-79(135)116-73(50-82(140)141)98(155)120-64(26-17-19-41-105)93(150)128-83(55(6)7)101(158)125-72(49-62-31-33-63(133)34-32-62)97(154)127-75(52-161)85(108)142)129-94(151)65(27-18-20-42-106)119-89(146)66(28-21-43-111-104(109)110)121-96(153)70(46-53(2)3)123-90(147)67(35-38-78(107)134)117-88(145)59(11)114-86(143)58(10)115-95(152)71(48-61-24-15-14-16-25-61)124-91(148)69(37-40-81(138)139)122-99(156)76-29-22-44-130(76)103(160)77-30-23-45-131(77)102(159)74(47-54(4)5)126-92(149)68(36-39-80(136)137)118-87(144)57(9)113-60(12)132/h14-16,24-25,31-34,53-59,64-77,83-84,133,161H,13,17-23,26-30,35-52,105-106H2,1-12H3,(H2,107,134)(H2,108,142)(H,112,157)(H,113,132)(H,114,143)(H,115,152)(H,116,135)(H,117,145)(H,118,144)(H,119,146)(H,120,155)(H,121,153)(H,122,156)(H,123,147)(H,124,148)(H,125,158)(H,126,149)(H,127,154)(H,128,150)(H,129,151)(H,136,137)(H,138,139)(H,140,141)(H4,109,110,111)/t56-,57-,58-,59-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,83-,84-/m0/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 450n/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