BindingDB logo
myBDB logout

BDBM186151 US9163012, 68

SMILES: NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)n1c4c(Cl)cccc4[nH]c1=O)C(C3)C2

InChI Key: InChIKey=NFFUSCKIHWUKOT-FMAZUFGJSA-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 = 186151   
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))
BDBM186151
PNG
(US9163012, 68)
Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)n1c4c(Cl)cccc4[nH]c1=O)C(C3)C2
Show InChI InChI=1S/C23H27ClN4O4/c24-16-2-1-3-17-18(16)28(21(30)26-17)15-4-5-27(11-15)22(31)32-19-13-6-12-7-14(19)10-23(8-12,9-13)20(25)29/h1-3,12-15,19H,4-11H2,(H2,25,29)(H,26,30)/t12?,13?,14?,15-,19-,23-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 0.460n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt...


US Patent US9163012 (2015)


BindingDB Entry DOI: 10.7270/Q2TD9W45
More data for this
Ligand-Target Pair