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BDBM50195507 (4-amino-3,5-dichlorophenyl)((2R,6S)-2,6-dimethyl-4-(5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)methanone::CHEMBL223507

SMILES: C[C@H]1CN(C[C@@H](C)N1C(=O)c1cc(Cl)c(N)c(Cl)c1)c1ccc(cn1)C(F)(F)F

InChI Key: InChIKey=WXTCOPGFTLXKPA-PHIMTYICSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50195507   
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


(Rattus norvegicus)
BDBM50195507
PNG
((4-amino-3,5-dichlorophenyl)((2R,6S)-2,6-dimethyl-...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C(=O)c1cc(Cl)c(N)c(Cl)c1)c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C19H19Cl2F3N4O/c1-10-8-27(16-4-3-13(7-26-16)19(22,23)24)9-11(2)28(10)18(29)12-5-14(20)17(25)15(21)6-12/h3-7,10-11H,8-9,25H2,1-2H3/t10-,11+
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PC cid
PC sid
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat 11beta-HSD2


Bioorg Med Chem Lett 16: 6241-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.035
BindingDB Entry DOI: 10.7270/Q2B857R4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50195507
PNG
((4-amino-3,5-dichlorophenyl)((2R,6S)-2,6-dimethyl-...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C(=O)c1cc(Cl)c(N)c(Cl)c1)c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C19H19Cl2F3N4O/c1-10-8-27(16-4-3-13(7-26-16)19(22,23)24)9-11(2)28(10)18(29)12-5-14(20)17(25)15(21)6-12/h3-7,10-11H,8-9,25H2,1-2H3/t10-,11+
PDB
MMDB

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 550n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in Escherichia coli by SPA


Bioorg Med Chem Lett 16: 6241-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.035
BindingDB Entry DOI: 10.7270/Q2B857R4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (Human))
BDBM50195507
PNG
((4-amino-3,5-dichlorophenyl)((2R,6S)-2,6-dimethyl-...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C(=O)c1cc(Cl)c(N)c(Cl)c1)c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C19H19Cl2F3N4O/c1-10-8-27(16-4-3-13(7-26-16)19(22,23)24)9-11(2)28(10)18(29)12-5-14(20)17(25)15(21)6-12/h3-7,10-11H,8-9,25H2,1-2H3/t10-,11+
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD2 by SPA


Bioorg Med Chem Lett 16: 6241-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.035
BindingDB Entry DOI: 10.7270/Q2B857R4
More data for this
Ligand-Target Pair