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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 = 'BDBM50315670'   
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))		BDBM50315670
PNG
(CHEMBL4164915)
Show SMILES [H][C@]12C[C@H](CCn3cc(nn3)-c3ccccc3)C=C[C@]1([C@H](\C=C(/Cl)c1ccc(cc1)C(=O)OCOC(C)=O)C=C(C)C2)C(=O)OCOC(C)=O |r,c:19,t:42|
Show InChI InChI=1S/C37H38ClN3O8/c1-24-17-31-19-27(14-16-41-21-34(39-40-41)29-7-5-4-6-8-29)13-15-37(31,36(45)49-23-47-26(3)43)32(18-24)20-33(38)28-9-11-30(12-10-28)35(44)48-22-46-25(2)42/h4-13,15,18,20-21,27,31-32H,14,16-17,19,22-23H2,1-3H3/b33-20-/t27-,31-,32-,37-/m0/s1
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Similars
Article
PubMed
 2.58E+3n/an/an/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Antagonism of carbachol action on nAChR of isolated frog rectus abdominus.

Eur J Med Chem 148: 26-38 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.100
BindingDB Entry DOI: 10.7270/Q2DF6TRW
More data for this
Ligand-Target Pair