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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 = 'BDBM50206521'   
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))		BDBM50206521
PNG
(CHEMBL3892614)
Show SMILES Cc1ccc(cc1)-c1ccc(O[C@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2ccc(OCc3ccc(Br)cc3)cc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 |r|
Show InChI InChI=1S/C45H44BrClN4O10S/c1-28-5-11-31(12-6-28)32-13-19-35(20-14-32)60-36-24-41(50(26-36)44(54)61-45(2,3)4)43(53)48-39(42(52)49-62(57,58)37-21-22-38(47)40(25-37)51(55)56)23-29-9-17-34(18-10-29)59-27-30-7-15-33(46)16-8-30/h5-22,25,36,39,41H,23-24,26-27H2,1-4H3,(H,48,53)(H,49,52)/t36-,39-,41-/m0/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 460n/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