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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 = 'BDBM50206568'   
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))		BDBM50206568
PNG
(CHEMBL3919776)
Show SMILES CCCCCCOc1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](CN2C(=O)OC(C)(C)C)Oc2ccc(cc2)-c2ccc(Cl)cc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 |r|
Show InChI InChI=1S/C43H48Cl2N4O10S/c1-5-6-7-8-23-57-32-17-9-28(10-18-32)24-37(40(50)47-60(55,56)35-21-22-36(45)38(26-35)49(53)54)46-41(51)39-25-34(27-48(39)42(52)59-43(2,3)4)58-33-19-13-30(14-20-33)29-11-15-31(44)16-12-29/h9-22,26,34,37,39H,5-8,23-25,27H2,1-4H3,(H,46,51)(H,47,50)/t34-,37-,39-/m0/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 430n/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