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BDBM50195497 (4-amino-3,5-dichlorophenyl)((2R,6S)-4-(3-aminopyridin-2-yl)-2,6-dimethylpiperazin-1-yl)methanone::CHEMBL441553

SMILES: C[C@H]1CN(C[C@@H](C)N1C(=O)c1cc(Cl)c(N)c(Cl)c1)c1ncccc1N

InChI Key: InChIKey=IQEKKNIHTWIEQT-PHIMTYICSA-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 = 50195497   
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))
BDBM50195497
PNG
((4-amino-3,5-dichlorophenyl)((2R,6S)-4-(3-aminopyr...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C(=O)c1cc(Cl)c(N)c(Cl)c1)c1ncccc1N
Show InChI InChI=1S/C18H21Cl2N5O/c1-10-8-24(17-15(21)4-3-5-23-17)9-11(2)25(10)18(26)12-6-13(19)16(22)14(20)7-12/h3-7,10-11H,8-9,21-22H2,1-2H3/t10-,11+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
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Article
PubMed
5n/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))
BDBM50195497
PNG
((4-amino-3,5-dichlorophenyl)((2R,6S)-4-(3-aminopyr...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C(=O)c1cc(Cl)c(N)c(Cl)c1)c1ncccc1N
Show InChI InChI=1S/C18H21Cl2N5O/c1-10-8-24(17-15(21)4-3-5-23-17)9-11(2)25(10)18(26)12-6-13(19)16(22)14(20)7-12/h3-7,10-11H,8-9,21-22H2,1-2H3/t10-,11+
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15n/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))
BDBM50195497
PNG
((4-amino-3,5-dichlorophenyl)((2R,6S)-4-(3-aminopyr...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C(=O)c1cc(Cl)c(N)c(Cl)c1)c1ncccc1N
Show InChI InChI=1S/C18H21Cl2N5O/c1-10-8-24(17-15(21)4-3-5-23-17)9-11(2)25(10)18(26)12-6-13(19)16(22)14(20)7-12/h3-7,10-11H,8-9,21-22H2,1-2H3/t10-,11+
KEGG

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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)
BDBM50195497
PNG
((4-amino-3,5-dichlorophenyl)((2R,6S)-4-(3-aminopyr...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C(=O)c1cc(Cl)c(N)c(Cl)c1)c1ncccc1N
Show InChI InChI=1S/C18H21Cl2N5O/c1-10-8-24(17-15(21)4-3-5-23-17)9-11(2)25(10)18(26)12-6-13(19)16(22)14(20)7-12/h3-7,10-11H,8-9,21-22H2,1-2H3/t10-,11+
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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))
BDBM50195497
PNG
((4-amino-3,5-dichlorophenyl)((2R,6S)-4-(3-aminopyr...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C(=O)c1cc(Cl)c(N)c(Cl)c1)c1ncccc1N
Show InChI InChI=1S/C18H21Cl2N5O/c1-10-8-24(17-15(21)4-3-5-23-17)9-11(2)25(10)18(26)12-6-13(19)16(22)14(20)7-12/h3-7,10-11H,8-9,21-22H2,1-2H3/t10-,11+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 370n/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