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BDBM50392222 CHEMBL2153178

SMILES: CCCSc1ncccc1C(=O)N[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2

InChI Key: InChIKey=XZXNGXVYYURRHN-CMSQDFSHSA-N

Data: 2 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50392222   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50392222
PNG
(CHEMBL2153178)
Show SMILES CCCSc1ncccc1C(=O)N[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2 |r,TLB:23:20:14.13.15:17,21:20:14.13.15:17|
Show InChI InChI=1S/C19H26N2O2S/c1-2-6-24-18-15(4-3-5-20-18)17(22)21-16-13-7-12-8-14(16)11-19(23,9-12)10-13/h3-5,12-14,16,23H,2,6-11H2,1H3,(H,21,22)/t12?,13-,14+,16-,19-
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Similars

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged full length human 11betaHSD1 expressed in baculovirus infected cells using cortisone as substrate after 25 mins ...


J Med Chem 55: 5951-64 (2012)


Article DOI: 10.1021/jm300592r
BindingDB Entry DOI: 10.7270/Q24F1RTK
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50392222
PNG
(CHEMBL2153178)
Show SMILES CCCSc1ncccc1C(=O)N[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2 |r,TLB:23:20:14.13.15:17,21:20:14.13.15:17|
Show InChI InChI=1S/C19H26N2O2S/c1-2-6-24-18-15(4-3-5-20-18)17(22)21-16-13-7-12-8-14(16)11-19(23,9-12)10-13/h3-5,12-14,16,23H,2,6-11H2,1H3,(H,21,22)/t12?,13-,14+,16-,19-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 922n/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