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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 = 'BDBM50206479'   
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))		BDBM50206479
PNG
(CHEMBL3901796)
Show SMILES CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccc3ccccc3c2)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C48H45ClN4O10S/c1-48(2,3)63-47(56)52-29-39(62-38-21-17-35(18-22-38)33-9-5-4-6-10-33)27-44(52)46(55)50-42(45(54)51-64(59,60)40-23-24-41(49)43(28-40)53(57)58)26-31-14-19-37(20-15-31)61-30-32-13-16-34-11-7-8-12-36(34)25-32/h4-25,28,39,42,44H,26-27,29-30H2,1-3H3,(H,50,55)(H,51,54)/t39-,42-,44-/m0/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 340n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me...

Bioorg Med Chem 25: 138-152 (2017)


Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ
More data for this
Ligand-Target Pair