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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 = 'BDBM60537'   
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))		BDBM60537
PNG
(US9115061, XVII)
Show SMILES Cc1cc2c(C(=O)c3nc4ccccc4s3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)c3nc4ccccc4s3)c(O)c(O)cc2c1O |(4,-5.39,;5.33,-4.62,;6.67,-5.39,;8,-4.62,;9.34,-5.39,;9.34,-6.93,;8,-7.7,;10.67,-7.7,;10.91,-9.22,;12.43,-9.46,;13.2,-10.8,;14.74,-10.8,;15.51,-9.46,;14.74,-8.13,;13.2,-8.13,;12.04,-7,;10.67,-4.62,;12,-5.39,;10.67,-3.08,;12,-2.31,;9.34,-2.31,;8,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,-3.08,;4,-2.31,;4,-.77,;5.33,,;2.67,,;1.33,-.77,;;,1.54,;-1.33,2.31,;1.09,2.63,;2.62,2.47,;3.25,3.87,;4.73,4.27,;5.13,5.76,;4.04,6.85,;2.56,6.45,;2.16,4.96,;.77,4.14,;-1.33,-.77,;-2.67,,;-1.33,-2.31,;-2.67,-3.08,;,-3.08,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,)|
Show InChI InChI=1S/C38H24N2O8S2/c1-15-11-17-19(13-23(41)33(45)29(17)35(47)37-39-21-7-3-5-9-25(21)49-37)31(43)27(15)28-16(2)12-18-20(32(28)44)14-24(42)34(46)30(18)36(48)38-40-22-8-4-6-10-26(22)50-38/h3-14,41-46H,1-2H3
PDB
MMDB

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Similars
Article
PubMed
n/an/a 390n/an/an/an/an/an/a



University of Mississippi



Assay Description
LDH was assayed spectrophotometrically for reduction of pyruvate using NADH by recording the changed in absorbance at 340 nm. The reaction was initia...

J Med Chem 50: 3841-50 (2007)


Article DOI: 10.1021/jm070336k
BindingDB Entry DOI: 10.7270/Q2HH6HCV
More data for this
Ligand-Target Pair