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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 = 'BDBM178647'   
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))		BDBM178647
PNG
(US9125913, 213)
Show SMILES OCCOc1ccc(c(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C46H47ClN6O9S/c47-34-6-4-32(5-7-34)38-12-9-36(61-25-22-54)26-33(38)30-51-18-20-52(21-19-51)35-8-11-40(45(27-35)62-44-3-1-2-41-39(44)14-17-48-41)46(55)50-63(58,59)37-10-13-42(43(28-37)53(56)57)49-29-31-15-23-60-24-16-31/h1-14,17,26-28,31,48-49,54H,15-16,18-25,29-30H2,(H,50,55)
PDB

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PC cid
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UniChem

Similars
US Patent
<0.0100n/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