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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 = 'BDBM156382'   
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))		BDBM156382
PNG
(US9018381, 5 | US9248140, 5)
Show SMILES OCCN(CCO)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C46H50ClF3N4O8S3/c47-35-14-10-32(11-15-35)40-8-4-5-9-41(40)44(57)33-20-24-54(25-21-33)37-16-12-34(13-17-37)45(58)52-65(61,62)39-18-19-42(43(30-39)64(59,60)46(48,49)50)51-36(22-23-53(26-28-55)27-29-56)31-63-38-6-2-1-3-7-38/h1-19,30,33,36,44,51,55-57H,20-29,31H2,(H,52,58)/t36-,44-/m1/s1
PDB

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Similars
US Patent
n/an/a 0.800n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...

US Patent US9018381 (2015)


BindingDB Entry DOI: 10.7270/Q2BC3X8D
More data for this
Ligand-Target Pair