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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 = 'BDBM50399351'   
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))		BDBM50399351
PNG
(CHEMBL2177617)
Show SMILES CCCSc1c(cnn1-c1ccc(cc1)C(O)=O)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)OC |r,wU:21.22,wD:28.35,TLB:20:21:30.27.28:25.24.23,20:21:23:30.28.29,31:28:21.26.25:23,THB:27:26:23:30.28.29,27:28:21.26.25:23,29:28:21:25.24.23,29:24:21:30.27.28,31:28:21:25.24.23,(6.35,-29.86,;4.82,-30.02,;3.92,-28.78,;4.54,-27.37,;3.64,-26.12,;4.12,-24.66,;2.87,-23.75,;1.63,-24.66,;2.1,-26.12,;1.19,-27.37,;-.35,-27.2,;-1.26,-28.44,;-.62,-29.85,;.92,-30.01,;1.82,-28.76,;-1.54,-31.1,;-3.07,-30.94,;-.9,-32.51,;5.58,-24.19,;5.91,-22.68,;6.73,-25.22,;8.19,-24.75,;9.39,-23.47,;9.38,-21.98,;10.73,-21.51,;9.69,-22.73,;9.69,-24.32,;11.1,-24.89,;12.11,-23.61,;12.12,-22.08,;10.72,-23.96,;13.65,-23.55,;14.47,-24.85,)|
Show InChI InChI=1S/C25H31N3O4S/c1-3-8-33-23-20(14-26-28(23)19-6-4-16(5-7-19)24(30)31)22(29)27-21-17-9-15-10-18(21)13-25(11-15,12-17)32-2/h4-7,14-15,17-18,21H,3,8-13H2,1-2H3,(H,27,29)(H,30,31)/t15?,17?,18?,21-,25-
PDB
MMDB

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Article
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6-His tagged full length human 11betaHSD1 incubated for 25 mins by HTRF assay

J Med Chem 55: 10136-47 (2012)


Article DOI: 10.1021/jm301252n
BindingDB Entry DOI: 10.7270/Q2WM1FJT
More data for this
Ligand-Target Pair