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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bcl-2-like protein 1' and Ligand = 'BDBM50244145'   
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
Bcl-2-like protein 1


(Homo sapiens (Human))		BDBM50244145
PNG
(CHEMBL4101866 | US10533010, Example I-108 | US1120...)
Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1ccc(C(O)=O)c2cccnc12 |(26.17,-23.93,;24.7,-23.46,;24.22,-22,;22.68,-22,;21.77,-20.76,;22.21,-23.47,;20.75,-23.95,;23.46,-24.37,;23.47,-25.91,;22.14,-26.69,;20.81,-25.92,;22.14,-28.23,;23.47,-29,;24.81,-28.23,;26.28,-28.71,;26.76,-30.17,;28.26,-30.49,;28.74,-31.96,;30.25,-32.28,;30.72,-33.74,;32.22,-34.05,;32.7,-35.51,;34.21,-35.83,;31.67,-36.67,;32.15,-38.13,;30.16,-36.35,;29.13,-37.49,;29.69,-34.88,;27.19,-27.45,;28.75,-27.51,;29.36,-28.93,;29.77,-26.34,;29.48,-24.81,;28.11,-24.07,;26.69,-24.69,;26.28,-26.2,;24.8,-26.68,;31.25,-26.74,;32.33,-25.65,;33.82,-26.04,;34.22,-27.54,;35.71,-27.94,;36.8,-26.85,;36.1,-29.43,;33.12,-28.62,;33.52,-30.1,;32.45,-31.18,;30.96,-30.79,;30.56,-29.31,;31.64,-28.22,)|
Show InChI InChI=1S/C39H37Cl2N5O4/c1-21-19-25(20-22(2)34(21)41)50-18-7-10-27-28-11-13-30(40)33(32-23(3)43-44(5)24(32)4)36(28)46-17-8-16-45(38(47)37(27)46)31-14-12-29(39(48)49)26-9-6-15-42-35(26)31/h6,9,11-15,19-20H,7-8,10,16-18H2,1-5H3,(H,48,49)
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Similars
Article
PubMed
>3.60E+4n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of FITC-Bak-BH3 binding to Bcl-XL (unknown origin) after 1.5 hrs by fluorescence polarization assay

J Med Chem 61: 2410-2421 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01155
BindingDB Entry DOI: 10.7270/Q2125W3M
More data for this
Ligand-Target Pair