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BDBM50356341 CHEMBL1911408

SMILES: OC(=O)CC1(C2CC3CC(C2)CC1C3)c1ccc(Cl)cc1

InChI Key: InChIKey=LZKWXNMCVNQXEH-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 = 50356341   
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))
BDBM50356341
PNG
(CHEMBL1911408)
Show SMILES OC(=O)CC1(C2CC3CC(C2)CC1C3)c1ccc(Cl)cc1 |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,(6.49,-37.27,;7.83,-38.04,;9.16,-37.27,;7.82,-39.58,;9.17,-40.36,;10.36,-39.08,;11.69,-39.57,;13.09,-39.23,;13.1,-37.7,;11.7,-37.12,;10.36,-37.6,;10.66,-38.35,;10.67,-39.94,;12.08,-40.51,;8.42,-41.71,;6.88,-41.74,;6.14,-43.09,;6.94,-44.41,;6.2,-45.76,;8.49,-44.37,;9.23,-43.02,)|
Show InChI InChI=1S/C18H21ClO2/c19-16-3-1-13(2-4-16)18(10-17(20)21)14-6-11-5-12(8-14)9-15(18)7-11/h1-4,11-12,14-15H,5-10H2,(H,20,21)
PDB
MMDB

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Article
PubMed
n/an/a 4n/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))
BDBM50356341
PNG
(CHEMBL1911408)
Show SMILES OC(=O)CC1(C2CC3CC(C2)CC1C3)c1ccc(Cl)cc1 |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,(6.49,-37.27,;7.83,-38.04,;9.16,-37.27,;7.82,-39.58,;9.17,-40.36,;10.36,-39.08,;11.69,-39.57,;13.09,-39.23,;13.1,-37.7,;11.7,-37.12,;10.36,-37.6,;10.66,-38.35,;10.67,-39.94,;12.08,-40.51,;8.42,-41.71,;6.88,-41.74,;6.14,-43.09,;6.94,-44.41,;6.2,-45.76,;8.49,-44.37,;9.23,-43.02,)|
Show InChI InChI=1S/C18H21ClO2/c19-16-3-1-13(2-4-16)18(10-17(20)21)14-6-11-5-12(8-14)9-15(18)7-11/h1-4,11-12,14-15H,5-10H2,(H,20,21)
PDB
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CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 105n/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