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BDBM50206567 CHEMBL3909769

SMILES: CC(C)Oc1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](CN2C(=O)OC(C)(C)C)Oc2ccc(cc2)-c2ccccc2)C(=O)NS(=O)(=O)c2ccccc2)cc1

InChI Key: InChIKey=OYXWIPRNZTVVLX-QBDOPFNQSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50206567   
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))		BDBM50206567
PNG
(CHEMBL3909769)
Show SMILES CC(C)Oc1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](CN2C(=O)OC(C)(C)C)Oc2ccc(cc2)-c2ccccc2)C(=O)NS(=O)(=O)c2ccccc2)cc1 |r|
Show InChI InChI=1S/C40H45N3O8S/c1-27(2)49-31-20-16-28(17-21-31)24-35(37(44)42-52(47,48)34-14-10-7-11-15-34)41-38(45)36-25-33(26-43(36)39(46)51-40(3,4)5)50-32-22-18-30(19-23-32)29-12-8-6-9-13-29/h6-23,27,33,35-36H,24-26H2,1-5H3,(H,41,45)(H,42,44)/t33-,35-,36-/m0/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 8.10E+3n/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