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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50394015   
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))
BDBM50394015
PNG
(CHEMBL2158468)
Show SMILES CCCSc1nc(ccc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2)N(C)C |r,wU:13.13,wD:20.22,TLB:17:18:23:15.16.22,17:16:13.18.19:23,21:20:13:15.17.16,THB:12:13:23:15.16.22,22:16:13:19.20.23,22:20:13:15.17.16,(1.9,-44.89,;.56,-45.66,;-.77,-44.89,;-.77,-43.35,;-2.11,-42.59,;-3.45,-43.36,;-4.78,-42.59,;-4.78,-41.04,;-3.45,-40.27,;-2.11,-41.04,;-.78,-40.26,;-.79,-38.72,;.55,-41.03,;1.88,-40.25,;3.05,-38.95,;4.39,-39.41,;5.78,-39.04,;4.79,-40.33,;3.37,-39.8,;3.34,-38.2,;4.35,-36.96,;4.34,-35.41,;5.76,-37.51,;3.01,-37.46,;-6.11,-43.36,;-7.45,-42.59,;-6.12,-44.9,)|
Show InChI InChI=1S/C21H31N3O2S/c1-4-7-27-20-16(5-6-17(22-20)24(2)3)19(25)23-18-14-8-13-9-15(18)12-21(26,10-13)11-14/h5-6,13-15,18,26H,4,7-12H2,1-3H3,(H,23,25)/t13?,14?,15?,18-,21-
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human 11betaHSD1 by HTRF assay


Bioorg Med Chem Lett 22: 6756-61 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50394015
PNG
(CHEMBL2158468)
Show SMILES CCCSc1nc(ccc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2)N(C)C |r,wU:13.13,wD:20.22,TLB:17:18:23:15.16.22,17:16:13.18.19:23,21:20:13:15.17.16,THB:12:13:23:15.16.22,22:16:13:19.20.23,22:20:13:15.17.16,(1.9,-44.89,;.56,-45.66,;-.77,-44.89,;-.77,-43.35,;-2.11,-42.59,;-3.45,-43.36,;-4.78,-42.59,;-4.78,-41.04,;-3.45,-40.27,;-2.11,-41.04,;-.78,-40.26,;-.79,-38.72,;.55,-41.03,;1.88,-40.25,;3.05,-38.95,;4.39,-39.41,;5.78,-39.04,;4.79,-40.33,;3.37,-39.8,;3.34,-38.2,;4.35,-36.96,;4.34,-35.41,;5.76,-37.51,;3.01,-37.46,;-6.11,-43.36,;-7.45,-42.59,;-6.12,-44.9,)|
Show InChI InChI=1S/C21H31N3O2S/c1-4-7-27-20-16(5-6-17(22-20)24(2)3)19(25)23-18-14-8-13-9-15(18)12-21(26,10-13)11-14/h5-6,13-15,18,26H,4,7-12H2,1-3H3,(H,23,25)/t13?,14?,15?,18-,21-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 26n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of mouse 11betaHSD1 by HTRF assay


Bioorg Med Chem Lett 22: 6756-61 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.070
BindingDB Entry DOI: 10.7270/Q23R0V0G
More data for this
Ligand-Target Pair