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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM50510565'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50510565
PNG
(CHEMBL4441493)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](Cc3ccc(OCc4ccc(C)cc4)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1 |r|
Show InChI InChI=1S/C42H36Cl2N4O9S/c1-25-4-6-28(7-5-25)24-57-31-14-8-27(9-15-31)20-37(41(50)46-58(54,55)33-17-18-36(44)39(22-33)48(52)53)45-40(49)23-34-26(2)47(38-19-16-32(56-3)21-35(34)38)42(51)29-10-12-30(43)13-11-29/h4-19,21-22,37H,20,23-24H2,1-3H3,(H,45,49)(H,46,50)/t37-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
 560n/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
BindingDB Entry DOI: 10.7270/Q2765JNW
More data for this
Ligand-Target Pair