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BDBM50356344 CHEMBL1911405

SMILES: OC(=O)CC1(C2CC3CC(C2)CC1C3)c1cccc(F)c1

InChI Key: InChIKey=WVDLXPCYCLQJDS-UHFFFAOYSA-N

Data: 2 IC50

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

Found 2 hits for monomerid = 50356344   
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))
BDBM50356344
PNG
(CHEMBL1911405)
Show SMILES OC(=O)CC1(C2CC3CC(C2)CC1C3)c1cccc(F)c1 |TLB:13:12:10:6.7.8,3:4:6.13.7:11.9.10,THB:13:7:4.12.11:10,8:7:4:11.9.10,8:9:4:6.13.7,3:4:10:6.7.8,14:4:6.13.7:11.9.10,(5.96,-24.19,;7.29,-24.96,;8.63,-24.19,;7.29,-26.5,;8.63,-27.28,;9.83,-26,;11.16,-26.49,;12.55,-26.15,;12.56,-24.62,;11.17,-24.04,;9.82,-24.52,;10.13,-25.28,;10.13,-26.86,;11.54,-27.43,;7.89,-28.63,;8.69,-29.94,;7.95,-31.29,;6.4,-31.33,;5.61,-30.01,;4.06,-30.04,;6.35,-28.66,)|
Show InChI InChI=1S/C18H21FO2/c19-16-3-1-2-13(9-16)18(10-17(20)21)14-5-11-4-12(7-14)8-15(18)6-11/h1-3,9,11-12,14-15H,4-8,10H2,(H,20,21)
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n/an/a 7n/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))
BDBM50356344
PNG
(CHEMBL1911405)
Show SMILES OC(=O)CC1(C2CC3CC(C2)CC1C3)c1cccc(F)c1 |TLB:13:12:10:6.7.8,3:4:6.13.7:11.9.10,THB:13:7:4.12.11:10,8:7:4:11.9.10,8:9:4:6.13.7,3:4:10:6.7.8,14:4:6.13.7:11.9.10,(5.96,-24.19,;7.29,-24.96,;8.63,-24.19,;7.29,-26.5,;8.63,-27.28,;9.83,-26,;11.16,-26.49,;12.55,-26.15,;12.56,-24.62,;11.17,-24.04,;9.82,-24.52,;10.13,-25.28,;10.13,-26.86,;11.54,-27.43,;7.89,-28.63,;8.69,-29.94,;7.95,-31.29,;6.4,-31.33,;5.61,-30.01,;4.06,-30.04,;6.35,-28.66,)|
Show InChI InChI=1S/C18H21FO2/c19-16-3-1-2-13(9-16)18(10-17(20)21)14-5-11-4-12(7-14)8-15(18)6-11/h1-3,9,11-12,14-15H,4-8,10H2,(H,20,21)
PDB
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PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 334n/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