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BDBM50231461 CHEMBL4105118

SMILES: CCCOc1ccc(C[C@H](NC(=O)c2cn(Cc3ccc(cc3)-c3ccccc3)c3ccccc23)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1

InChI Key: InChIKey=AVBCTPBVIWXTJA-BHVANESWSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50231461   
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
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50231461
PNG
(CHEMBL4105118)
Show SMILES CCCOc1ccc(C[C@H](NC(=O)c2cn(Cc3ccc(cc3)-c3ccccc3)c3ccccc23)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 |r|
Show InChI InChI=1S/C40H35ClN4O7S/c1-2-22-52-31-18-14-27(15-19-31)23-36(40(47)43-53(50,51)32-20-21-35(41)38(24-32)45(48)49)42-39(46)34-26-44(37-11-7-6-10-33(34)37)25-28-12-16-30(17-13-28)29-8-4-3-5-9-29/h3-21,24,26,36H,2,22-23,25H2,1H3,(H,42,46)(H,43,47)/t36-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars
PubMed
 5.60E+3n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FAM-labeled Bid-BH3 peptide binding to Bcl2 (unknown origin) preincubated for 30 mins followed by N-terminal FAM-labeled Bid...

Bioorg Med Chem 25: 1939-1948 (2017)


BindingDB Entry DOI: 10.7270/Q2765HKK
More data for this
Ligand-Target Pair