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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM142001'   
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
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM142001
PNG
(US8927536, 26)
Show SMILES CC1(CO)Cc2nnc(n2CCS1)C1(CC1)c1ccc(c(F)c1)-c1cccnc1
Show InChI InChI=1S/C22H23FN4OS/c1-21(14-28)12-19-25-26-20(27(19)9-10-29-21)22(6-7-22)16-4-5-17(18(23)11-16)15-3-2-8-24-13-15/h2-5,8,11,13,28H,6-7,9-10,12,14H2,1H3
PDB
MMDB

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PC sid
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Similars

US Patent
n/an/a 0.300n/an/an/an/a7.425



Daiichi Sankyo Company, Limited

US Patent


Assay Description
A reaction was performed on a 384-well plate (Greiner Bio One) using a reaction volume of 24 ÁL, and all the samples were diluted with an assay buffe...


US Patent US8927536 (2015)


BindingDB Entry DOI: 10.7270/Q2Q23XZP
More data for this
Ligand-Target Pair