BindingDB logo
myBDB logout

BDBM119227 US8673938, 162

SMILES: CCCCc1nc(ccc1C(=O)NC1C2CC3CC(C2)CC1C3)N1CCC[C@@H](CC(O)=O)C1

InChI Key: InChIKey=UHCBVICNHRMFMX-DCFCRPKGSA-N

Data: 1 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 1 hit for monomerid = 119227   
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))
BDBM119227
PNG
(US8673938, 162)
Show SMILES CCCCc1nc(ccc1C(=O)NC1C2CC3CC(C2)CC1C3)N1CCC[C@@H](CC(O)=O)C1 |r,wU:27.31,TLB:12:13:20:17.16.22,15:16:20:14.19.13,THB:15:14:20:17.16.22,13:14:17:20.21.22,13:21:17:14.15.19,(3.45,-4.93,;3.45,-3.39,;2.11,-2.62,;2.11,-1.08,;.78,-.31,;-.56,-1.08,;-1.89,-.31,;-1.89,1.23,;-.56,2,;.78,1.23,;2.11,2,;2.11,3.54,;3.45,1.23,;4.78,2,;5.66,3.93,;6.82,4.93,;8.27,4.43,;8.56,2.92,;7.39,1.91,;5.94,2.42,;6.49,.04,;6.07,1.52,;7.88,3.1,;-3.22,-1.08,;-3.22,-2.62,;-4.56,-3.39,;-5.89,-2.62,;-5.89,-1.08,;-7.22,-.31,;-7.22,1.23,;-5.89,2,;-8.56,2,;-4.56,-.31,)|
Show InChI InChI=1S/C27H39N3O3/c1-2-3-6-23-22(7-8-24(28-23)30-9-4-5-17(16-30)15-25(31)32)27(33)29-26-20-11-18-10-19(13-20)14-21(26)12-18/h7-8,17-21,26H,2-6,9-16H2,1H3,(H,29,33)(H,31,32)/t17-,18?,19?,20?,21?,26?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

US Patent
n/an/a 6n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The conversion of cortisone to the active steroid cortisol by 11βHSD1 oxo-reductase activity, can be measured using a competitive homogeneous ti...


US Patent US8673938 (2014)


BindingDB Entry DOI: 10.7270/Q2610Z0D
More data for this
Ligand-Target Pair