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BDBM50400152 CHEMBL2179013

SMILES: CC(C)(CO)Nc1ncc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(OC2CCC2)n1

InChI Key: InChIKey=FVDARAUNAZZETI-LAUHKBAVSA-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 = 50400152   
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))
BDBM50400152
PNG
(CHEMBL2179013)
Show SMILES CC(C)(CO)Nc1ncc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(OC2CCC2)n1 |r,wU:13.12,wD:20.21,TLB:21:20:13:17.16.15,12:13:23.19.20:17.16.15,12:13:15:23.20.22,THB:21:20:13.18.17:15,22:20:13:17.16.15,22:16:13:23.19.20,19:18:15:23.20.22,19:20:13.18.17:15,(58.44,-7.18,;58.85,-8.68,;59.61,-7.34,;57.51,-9.44,;56.18,-8.67,;60.18,-9.45,;61.51,-8.68,;61.52,-7.13,;62.85,-6.36,;64.18,-7.13,;65.51,-6.35,;65.51,-4.81,;66.85,-7.12,;68.18,-6.34,;68.17,-4.6,;67.14,-3.52,;67.79,-2.25,;67.81,-3.69,;68.98,-5.01,;70.39,-4.45,;70.25,-2.82,;71.78,-2.84,;69.21,-1.7,;69.47,-4.04,;64.19,-8.68,;65.52,-9.44,;65.52,-10.98,;64.43,-12.07,;65.52,-13.16,;66.61,-12.07,;62.85,-9.45,)|
Show InChI InChI=1S/C23H34N4O4/c1-22(2,12-28)27-21-24-11-17(20(26-21)31-16-4-3-5-16)19(29)25-18-14-6-13-7-15(18)10-23(30,8-13)9-14/h11,13-16,18,28,30H,3-10,12H2,1-2H3,(H,25,29)(H,24,26,27)/t13?,14?,15?,18-,23-
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Article
PubMed
n/an/a 30n/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))
BDBM50400152
PNG
(CHEMBL2179013)
Show SMILES CC(C)(CO)Nc1ncc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(OC2CCC2)n1 |r,wU:13.12,wD:20.21,TLB:21:20:13:17.16.15,12:13:23.19.20:17.16.15,12:13:15:23.20.22,THB:21:20:13.18.17:15,22:20:13:17.16.15,22:16:13:23.19.20,19:18:15:23.20.22,19:20:13.18.17:15,(58.44,-7.18,;58.85,-8.68,;59.61,-7.34,;57.51,-9.44,;56.18,-8.67,;60.18,-9.45,;61.51,-8.68,;61.52,-7.13,;62.85,-6.36,;64.18,-7.13,;65.51,-6.35,;65.51,-4.81,;66.85,-7.12,;68.18,-6.34,;68.17,-4.6,;67.14,-3.52,;67.79,-2.25,;67.81,-3.69,;68.98,-5.01,;70.39,-4.45,;70.25,-2.82,;71.78,-2.84,;69.21,-1.7,;69.47,-4.04,;64.19,-8.68,;65.52,-9.44,;65.52,-10.98,;64.43,-12.07,;65.52,-13.16,;66.61,-12.07,;62.85,-9.45,)|
Show InChI InChI=1S/C23H34N4O4/c1-22(2,12-28)27-21-24-11-17(20(26-21)31-16-4-3-5-16)19(29)25-18-14-6-13-7-15(18)10-23(30,8-13)9-14/h11,13-16,18,28,30H,3-10,12H2,1-2H3,(H,25,29)(H,24,26,27)/t13?,14?,15?,18-,23-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 20n/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