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BDBM50510566 CHEMBL4457071

SMILES: COc1ccc2n(C(=O)c3ccc(Cl)cc3)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

InChI Key: InChIKey=QLDSXGINUKGBMF-BHVANESWSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50510566   
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))		BDBM50510566
PNG
(CHEMBL4457071)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)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 |r|
Show InChI InChI=1S/C41H33Cl2N5O11S/c1-24-33(34-20-31(58-2)15-18-37(34)46(24)41(51)27-7-9-28(42)10-8-27)22-39(49)44-36(40(50)45-60(56,57)32-16-17-35(43)38(21-32)48(54)55)19-25-5-13-30(14-6-25)59-23-26-3-11-29(12-4-26)47(52)53/h3-18,20-21,36H,19,22-23H2,1-2H3,(H,44,49)(H,45,50)/t36-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 510n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Bcl2 (unknown origin) by fluorescence polarization assay

Bioorg Med Chem 27: 2771-2783 (2019)


Article DOI: 10.1016/j.bmc.2019.05.003
More data for this
Ligand-Target Pair