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BDBM167446 US9073906, 175

SMILES: NC(=O)C12CC3CC(C1)C(NC(=O)CN1CC(=C)CN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2

InChI Key: InChIKey=WHPQORAGNCWNKF-UHFFFAOYNA-N

Data: 2 IC50

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

Found 2 hits for monomerid = 167446   
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))
BDBM167446
PNG
(US9073906, 175)
Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)CN1CC(=C)CN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2
Show InChI InChI=1/C23H27Cl3N4O4S/c1-12-9-29(35(33,34)30(10-12)21-17(25)4-16(24)5-18(21)26)11-19(31)28-20-14-2-13-3-15(20)8-23(6-13,7-14)22(27)32/h4-5,13-15,20H,1-3,6-11H2,(H2,27,32)(H,28,31)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
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))
BDBM167446
PNG
(US9073906, 175)
Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)CN1CC(=C)CN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2
Show InChI InChI=1/C23H27Cl3N4O4S/c1-12-9-29(35(33,34)30(10-12)21-17(25)4-16(24)5-18(21)26)11-19(31)28-20-14-2-13-3-15(20)8-23(6-13,7-14)22(27)32/h4-5,13-15,20H,1-3,6-11H2,(H2,27,32)(H,28,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 14n/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