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BDBM50261530 CHEMBL4091513

SMILES: COc1ccc2n(c(C)c(CC(=O)N[C@@H](Cc3ccc(OCc4ccc(cc4)[N+]([O-])=O)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1)-c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=XRNWTBBKHCANMY-WBCKFURZSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50261530   
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))		BDBM50261530
PNG
(CHEMBL4091513)
Show SMILES COc1ccc2n(c(C)c(CC(=O)N[C@@H](Cc3ccc(OCc4ccc(cc4)[N+]([O-])=O)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1)-c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C46H38ClN5O10S/c1-29-39(40-25-37(61-2)20-23-43(40)50(29)34-16-12-33(13-17-34)32-6-4-3-5-7-32)27-45(53)48-42(46(54)49-63(59,60)38-21-22-41(47)44(26-38)52(57)58)24-30-10-18-36(19-11-30)62-28-31-8-14-35(15-9-31)51(55)56/h3-23,25-26,42H,24,27-28H2,1-2H3,(H,48,53)(H,49,54)/t42-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-Bid-BH3 peptide binding to Bcl2 (unknown origin) pre-incubated for 30 mins followed by further incubation with 5-FAM-Bid-BH3 pept...

Bioorg Med Chem 25: 5548-5556 (2017)


Article DOI: 10.1016/j.bmc.2017.08.024
BindingDB Entry DOI: 10.7270/Q2FX7CX8
More data for this
Ligand-Target Pair