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BDBM50206526 CHEMBL3956472

SMILES: CC(C)COc1ccc(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

InChI Key: InChIKey=ZKNAHYKQJAJEGN-MPRBNCHYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50206526   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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))		BDBM50206526
PNG
(CHEMBL3956472)
Show SMILES CC(C)COc1ccc(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/C41H44Cl2N4O10S/c1-25(2)24-55-30-14-6-26(7-15-30)20-35(38(48)45-58(53,54)33-18-19-34(43)36(22-33)47(51)52)44-39(49)37-21-32(23-46(37)40(50)57-41(3,4)5)56-31-16-10-28(11-17-31)27-8-12-29(42)13-9-27/h6-19,22,25,32,35,37H,20-21,23-24H2,1-5H3,(H,44,49)(H,45,48)/t32-,35-,37-/m0/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 500n/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