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BDBM50195482 (4-amino-3,5-dichlorophenyl)((2R,6S)-2,6-dimethyl-4-(pyridin-2-yl)piperazin-1-yl)methanone::CHEMBL223373

SMILES: C[C@H]1CN(C[C@@H](C)N1C(=O)c1cc(Cl)c(N)c(Cl)c1)c1ccccn1

InChI Key: InChIKey=REVBKPSDCXGBNR-TXEJJXNPSA-N

Data: 2 KI  3 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 5 hits for monomerid = 50195482   
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 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50195482
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)c1ccccn1
Show InChI InChI=1S/C18H20Cl2N4O/c1-11-9-23(16-5-3-4-6-22-16)10-12(2)24(11)18(25)13-7-14(19)17(21)15(20)8-13/h3-8,11-12H,9-10,21H2,1-2H3/t11-,12+
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat 11beta-HSD1


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))
BDBM50195482
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)c1ccccn1
Show InChI InChI=1S/C18H20Cl2N4O/c1-11-9-23(16-5-3-4-6-22-16)10-12(2)24(11)18(25)13-7-14(19)17(21)15(20)8-13/h3-8,11-12H,9-10,21H2,1-2H3/t11-,12+
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Article
PubMed
100n/an/an/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))
BDBM50195482
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)c1ccccn1
Show InChI InChI=1S/C18H20Cl2N4O/c1-11-9-23(16-5-3-4-6-22-16)10-12(2)24(11)18(25)13-7-14(19)17(21)15(20)8-13/h3-8,11-12H,9-10,21H2,1-2H3/t11-,12+
KEGG

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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
11-beta-hydroxysteroid dehydrogenase 2


(Rattus norvegicus)
BDBM50195482
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)c1ccccn1
Show InChI InChI=1S/C18H20Cl2N4O/c1-11-9-23(16-5-3-4-6-22-16)10-12(2)24(11)18(25)13-7-14(19)17(21)15(20)8-13/h3-8,11-12H,9-10,21H2,1-2H3/t11-,12+
KEGG

UniProtKB/SwissProt

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 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))
BDBM50195482
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)c1ccccn1
Show InChI InChI=1S/C18H20Cl2N4O/c1-11-9-23(16-5-3-4-6-22-16)10-12(2)24(11)18(25)13-7-14(19)17(21)15(20)8-13/h3-8,11-12H,9-10,21H2,1-2H3/t11-,12+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
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-HSD1 expressed in HEK293 cells by fluorescence polarization immuno-assay


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