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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 = 'BDBM178576'   
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


(Mus musculus (Mouse))		BDBM178576
PNG
(US9125913, 135)
Show SMILES CN(C)CCOc1ccc(c(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C49H55ClN8O7S/c1-54(2)28-29-64-40-11-15-43(35-6-8-38(50)9-7-35)37(31-40)34-56-24-26-57(27-25-56)39-10-14-44(48(32-39)65-41-12-16-45-36(30-41)18-20-52-45)49(59)53-66(62,63)42-13-17-46(47(33-42)58(60)61)51-19-5-23-55-21-3-4-22-55/h6-18,20,30-33,51-52H,3-5,19,21-29,34H2,1-2H3,(H,53,59)
PDB

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PC cid
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UniChem

Similars
US Patent
 0.00800n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...

US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair