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BDBM50400165 CHEMBL2179028

SMILES: C[C@@H](O)CNc1ncc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(n1)C1CCCC1

InChI Key: InChIKey=AMSDAXGEMBQOCX-PNMSOENNSA-N

Data: 2 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 2 hits for monomerid = 50400165   
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))
BDBM50400165
PNG
(CHEMBL2179028)
Show SMILES C[C@@H](O)CNc1ncc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(n1)C1CCCC1 |r,wU:12.11,1.1,wD:19.20,TLB:20:19:12:16.15.14,11:12:22.18.19:16.15.14,11:12:14:22.19.21,THB:20:19:12.17.16:14,21:19:12:16.15.14,21:15:12:22.18.19,18:17:14:22.19.21,18:19:12.17.16:14,(60.94,-27.35,;60.94,-25.81,;59.6,-25.04,;62.27,-25.04,;63.61,-25.81,;64.94,-25.04,;64.94,-23.5,;66.27,-22.73,;67.61,-23.49,;68.94,-22.71,;68.93,-21.17,;70.27,-23.48,;71.6,-22.7,;71.6,-20.96,;70.56,-19.88,;71.21,-18.61,;71.24,-20.05,;72.4,-21.38,;73.82,-20.81,;73.67,-19.19,;75.21,-19.2,;72.63,-18.07,;72.89,-20.4,;67.61,-25.04,;66.27,-25.81,;68.95,-25.81,;69.11,-27.33,;70.62,-27.65,;71.39,-26.32,;70.35,-25.17,)|
Show InChI InChI=1S/C23H34N4O3/c1-13(28)11-24-22-25-12-18(20(27-22)15-4-2-3-5-15)21(29)26-19-16-6-14-7-17(19)10-23(30,8-14)9-16/h12-17,19,28,30H,2-11H2,1H3,(H,26,29)(H,24,25,27)/t13-,14?,16?,17?,19-,23-/m1/s1
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Article
PubMed
n/an/a 26n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by HTRF assay


J Med Chem 55: 10652-61 (2012)


Article DOI: 10.1021/jm3013163
BindingDB Entry DOI: 10.7270/Q2BG2Q4S
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50400165
PNG
(CHEMBL2179028)
Show SMILES C[C@@H](O)CNc1ncc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(n1)C1CCCC1 |r,wU:12.11,1.1,wD:19.20,TLB:20:19:12:16.15.14,11:12:22.18.19:16.15.14,11:12:14:22.19.21,THB:20:19:12.17.16:14,21:19:12:16.15.14,21:15:12:22.18.19,18:17:14:22.19.21,18:19:12.17.16:14,(60.94,-27.35,;60.94,-25.81,;59.6,-25.04,;62.27,-25.04,;63.61,-25.81,;64.94,-25.04,;64.94,-23.5,;66.27,-22.73,;67.61,-23.49,;68.94,-22.71,;68.93,-21.17,;70.27,-23.48,;71.6,-22.7,;71.6,-20.96,;70.56,-19.88,;71.21,-18.61,;71.24,-20.05,;72.4,-21.38,;73.82,-20.81,;73.67,-19.19,;75.21,-19.2,;72.63,-18.07,;72.89,-20.4,;67.61,-25.04,;66.27,-25.81,;68.95,-25.81,;69.11,-27.33,;70.62,-27.65,;71.39,-26.32,;70.35,-25.17,)|
Show InChI InChI=1S/C23H34N4O3/c1-13(28)11-24-22-25-12-18(20(27-22)15-4-2-3-5-15)21(29)26-19-16-6-14-7-17(19)10-23(30,8-14)9-16/h12-17,19,28,30H,2-11H2,1H3,(H,26,29)(H,24,25,27)/t13-,14?,16?,17?,19-,23-/m1/s1
PDB
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Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 67n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 by HTRF assay


J Med Chem 55: 10652-61 (2012)


Article DOI: 10.1021/jm3013163
BindingDB Entry DOI: 10.7270/Q2BG2Q4S
More data for this
Ligand-Target Pair