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BDBM167440 US9073906, 122

SMILES: NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCCCN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2

InChI Key: InChIKey=HUZDSKQBMBUYIL-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 167440   
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 2


(Homo sapiens (human))
BDBM167440
PNG
(US9073906, 122)
Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCCCN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2
Show InChI InChI=1S/C23H29Cl3N4O4S/c24-16-7-17(25)21(18(26)8-16)30-4-2-1-3-29(35(30,33)34)12-19(31)28-20-14-5-13-6-15(20)11-23(9-13,10-14)22(27)32/h7-8,13-15,20H,1-6,9-12H2,(H2,27,32)(H,28,31)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce...


US Patent US9073906 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MFB
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM167440
PNG
(US9073906, 122)
Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCCCN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2
Show InChI InChI=1S/C23H29Cl3N4O4S/c24-16-7-17(25)21(18(26)8-16)30-4-2-1-3-29(35(30,33)34)12-19(31)28-20-14-5-13-6-15(20)11-23(9-13,10-14)22(27)32/h7-8,13-15,20H,1-6,9-12H2,(H2,27,32)(H,28,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.400n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce...


US Patent US9073906 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MFB
More data for this
Ligand-Target Pair