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BDBM50356336 CHEMBL1911413

SMILES: OC(=O)CC1(Cc2ccccc2Cl)C2CC3CC(C2)CC1C3

InChI Key: InChIKey=KPTQADNKXRYGNW-UHFFFAOYSA-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 = 50356336   
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))
BDBM50356336
PNG
(CHEMBL1911413)
Show SMILES OC(=O)CC1(Cc2ccccc2Cl)C2CC3CC(C2)CC1C3 |TLB:21:20:18:14.15.16,3:4:14.21.15:19.17.18,THB:21:15:4.20.19:18,16:15:4:19.17.18,16:17:4:14.21.15,3:4:18:14.15.16,5:4:14.21.15:19.17.18,(-6.8,-7.84,;-5.47,-8.62,;-4.13,-7.85,;-5.47,-10.16,;-4.13,-10.94,;-4.87,-12.29,;-6.41,-12.32,;-7.2,-10.99,;-8.74,-11.02,;-9.48,-12.37,;-8.68,-13.69,;-7.15,-13.66,;-6.35,-14.97,;-2.93,-9.66,;-1.6,-10.15,;-.21,-9.8,;-.2,-8.27,;-1.59,-7.69,;-2.94,-8.17,;-2.63,-8.93,;-2.63,-10.52,;-1.22,-11.08,)|
Show InChI InChI=1S/C19H23ClO2/c20-17-4-2-1-3-14(17)10-19(11-18(21)22)15-6-12-5-13(8-15)9-16(19)7-12/h1-4,12-13,15-16H,5-11H2,(H,21,22)
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Article
PubMed
n/an/a 4.90n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD-1


Bioorg Med Chem Lett 21: 6699-704 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.055
BindingDB Entry DOI: 10.7270/Q2Q240NV
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50356336
PNG
(CHEMBL1911413)
Show SMILES OC(=O)CC1(Cc2ccccc2Cl)C2CC3CC(C2)CC1C3 |TLB:21:20:18:14.15.16,3:4:14.21.15:19.17.18,THB:21:15:4.20.19:18,16:15:4:19.17.18,16:17:4:14.21.15,3:4:18:14.15.16,5:4:14.21.15:19.17.18,(-6.8,-7.84,;-5.47,-8.62,;-4.13,-7.85,;-5.47,-10.16,;-4.13,-10.94,;-4.87,-12.29,;-6.41,-12.32,;-7.2,-10.99,;-8.74,-11.02,;-9.48,-12.37,;-8.68,-13.69,;-7.15,-13.66,;-6.35,-14.97,;-2.93,-9.66,;-1.6,-10.15,;-.21,-9.8,;-.2,-8.27,;-1.59,-7.69,;-2.94,-8.17,;-2.63,-8.93,;-2.63,-10.52,;-1.22,-11.08,)|
Show InChI InChI=1S/C19H23ClO2/c20-17-4-2-1-3-14(17)10-19(11-18(21)22)15-6-12-5-13(8-15)9-16(19)7-12/h1-4,12-13,15-16H,5-11H2,(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Patents


Similars

Article
PubMed
n/an/a 155n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD-1


Bioorg Med Chem Lett 21: 6699-704 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.055
BindingDB Entry DOI: 10.7270/Q2Q240NV
More data for this
Ligand-Target Pair