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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 = 'BDBM178871'   
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))		BDBM178871
PNG
(US9125913, 443)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4(F)CCOCC4)c(Cl)c3)c(Oc3cccc4[nH]cnc34)c2)=C(C1)c1ccc(Cl)cc1 |c:56|
Show InChI InChI=1S/C44H47Cl2FN6O6S/c1-43(2)13-12-30(35(24-43)29-6-8-31(45)9-7-29)26-52-16-18-53(19-17-52)32-10-11-34(39(22-32)59-38-5-3-4-37-40(38)50-28-49-37)41(54)51-60(55,56)33-23-36(46)42(48-25-33)58-27-44(47)14-20-57-21-15-44/h3-11,22-23,25,28H,12-21,24,26-27H2,1-2H3,(H,49,50)(H,51,54)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
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