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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 = 'BDBM142751'   
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))
BDBM142751
PNG
(US8937193, 6c)
Show SMILES Cc1c(-c2c(C)c(=O)c3c(CC4CCCC4)c(O)c(O)cc3c2=O)c(=O)c2cc(O)c(O)c(CC3CCCC3)c2c1=O |(-.65,-2.45,;-1.98,-1.68,;-1.98,-.14,;-.65,.63,;-.65,2.17,;-1.98,2.94,;.69,2.94,;.69,4.48,;2.02,2.17,;3.36,2.94,;3.36,4.48,;4.69,5.25,;5.01,6.75,;6.54,6.91,;7.17,5.51,;6.02,4.48,;4.69,2.17,;6.02,2.94,;4.69,.63,;6.02,-.14,;3.36,-.14,;2.02,.63,;.69,-.2,;.69,-1.74,;-3.31,.68,;-3.31,2.22,;-4.65,-.14,;-5.98,.63,;-7.31,-.14,;-8.65,.63,;-7.31,-1.68,;-8.65,-2.45,;-5.98,-2.45,;-5.98,-3.99,;-7.31,-4.76,;-8.56,-3.86,;-9.81,-4.76,;-9.33,-6.23,;-7.79,-6.23,;-4.65,-1.68,;-3.31,-2.45,;-3.31,-3.99,)|
Show InChI InChI=1S/C34H34O8/c1-15-25(33(41)21-13-23(35)31(39)19(27(21)29(15)37)11-17-7-3-4-8-17)26-16(2)30(38)28-20(12-18-9-5-6-10-18)32(40)24(36)14-22(28)34(26)42/h13-14,17-18,35-36,39-40H,3-12H2,1-2H3
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.08E+3n/an/an/an/an/a25



Sanford-Burnham Medical Research Institute

US Patent


Assay Description
A Bak BH3 peptide (F-BakBH3) (GQVGRQLAIIGDDINR (SEQ ID NO:1)) was labeled at the N-terminus with fluorescein isothiocyanate (FITC) (Molecular Probes)...


US Patent US8937193 (2015)


BindingDB Entry DOI: 10.7270/Q20C4TG4
More data for this
Ligand-Target Pair