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BDBM50206535 CHEMBL3980896

SMILES: CCCCCCOc1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](CN2C(=O)OC(C)(C)C)Oc2ccc(cc2)-c2ccc(C)cc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1

InChI Key: InChIKey=SFDBKIOHMOCAFD-UAAFXDKHNA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50206535   
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))
BDBM50206535
PNG
(CHEMBL3980896)
Show SMILES CCCCCCOc1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](CN2C(=O)OC(C)(C)C)Oc2ccc(cc2)-c2ccc(C)cc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1
Show InChI InChI=1/C44H51ClN4O10S/c1-6-7-8-9-24-57-33-18-12-30(13-19-33)25-38(41(50)47-60(55,56)36-22-23-37(45)39(27-36)49(53)54)46-42(51)40-26-35(28-48(40)43(52)59-44(3,4)5)58-34-20-16-32(17-21-34)31-14-10-29(2)11-15-31/h10-23,27,35,38,40H,6-9,24-26,28H2,1-5H3,(H,46,51)(H,47,50)/t35-,38-,40-/s2
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
780n/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