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BDBM50392924 CHEMBL2152223

SMILES: Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@]1(C)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2

InChI Key: InChIKey=IDOZZJFHEYUHMV-FCNBXJQRSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50392924   
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))
BDBM50392924
PNG
(CHEMBL2152223)
Show SMILES Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@]1(C)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
Show InChI InChI=1S/C23H31ClN2O4S/c1-14-18(24)5-3-6-19(14)31(29,30)26-8-4-7-22(26,2)21(27)25-20-16-9-15-10-17(20)13-23(28,11-15)12-16/h3,5-6,15-17,20,28H,4,7-13H2,1-2H3,(H,25,27)/t15?,16?,17?,20-,22-,23-/m1/s1
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PC sid
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Article
PubMed
n/an/a 0.100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human 11betaHSD1 by scintillation proximity assay


ACS Med Chem Lett 3: 793-798 (2012)


Article DOI: 10.1021/ml300144n
BindingDB Entry DOI: 10.7270/Q2K938NZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50392924
PNG
(CHEMBL2152223)
Show SMILES Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@]1(C)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
Show InChI InChI=1S/C23H31ClN2O4S/c1-14-18(24)5-3-6-19(14)31(29,30)26-8-4-7-22(26,2)21(27)25-20-16-9-15-10-17(20)13-23(28,11-15)12-16/h3,5-6,15-17,20,28H,4,7-13H2,1-2H3,(H,25,27)/t15?,16?,17?,20-,22-,23-/m1/s1
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Article
PubMed
n/an/a 121n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of mouse 11betaHSD1 in 3T3L1 cells assessed as conversion of [1,2-(N)3H]-cortisone to cortisol after 1 hr by liquid scintillation counter


ACS Med Chem Lett 3: 793-798 (2012)


Article DOI: 10.1021/ml300144n
BindingDB Entry DOI: 10.7270/Q2K938NZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (human))
BDBM50392924
PNG
(CHEMBL2152223)
Show SMILES Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@]1(C)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
Show InChI InChI=1S/C23H31ClN2O4S/c1-14-18(24)5-3-6-19(14)31(29,30)26-8-4-7-22(26,2)21(27)25-20-16-9-15-10-17(20)13-23(28,11-15)12-16/h3,5-6,15-17,20,28H,4,7-13H2,1-2H3,(H,25,27)/t15?,16?,17?,20-,22-,23-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human 11betaHSD2


ACS Med Chem Lett 3: 793-798 (2012)


Article DOI: 10.1021/ml300144n
BindingDB Entry DOI: 10.7270/Q2K938NZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50392924
PNG
(CHEMBL2152223)
Show SMILES Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@]1(C)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
Show InChI InChI=1S/C23H31ClN2O4S/c1-14-18(24)5-3-6-19(14)31(29,30)26-8-4-7-22(26,2)21(27)25-20-16-9-15-10-17(20)13-23(28,11-15)12-16/h3,5-6,15-17,20,28H,4,7-13H2,1-2H3,(H,25,27)/t15?,16?,17?,20-,22-,23-/m1/s1
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PC sid
UniChem

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Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of mouse 11betaHSD1 by scintillation proximity assay


ACS Med Chem Lett 3: 793-798 (2012)


Article DOI: 10.1021/ml300144n
BindingDB Entry DOI: 10.7270/Q2K938NZ
More data for this
Ligand-Target Pair