BindingDB logo
myBDB logout

BDBM50195488 CHEMBL374487::N-((1s,4s)-4-((2-(dimethylamino)ethyl)carbamoyl)cyclohexyl)-4-amino-3,5-dichloro-N-cyclopropylbenzamide

SMILES: CN(C)CCNC(=O)[C@@H]1CC[C@@H](CC1)N(C1CC1)C(=O)c1cc(Cl)c(N)c(Cl)c1

InChI Key: InChIKey=GFVRTRFRYFWAIJ-OTVXOJSOSA-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 = 50195488   
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))
BDBM50195488
PNG
(CHEMBL374487 | N-((1s,4s)-4-((2-(dimethylamino)eth...)
Show SMILES CN(C)CCNC(=O)[C@@H]1CC[C@@H](CC1)N(C1CC1)C(=O)c1cc(Cl)c(N)c(Cl)c1 |wU:8.7,11.14,(26.28,-50.13,;24.95,-49.36,;23.61,-50.12,;24.96,-47.82,;23.62,-47.04,;23.63,-45.5,;22.3,-44.73,;20.96,-45.5,;22.3,-43.19,;23.64,-42.42,;23.65,-40.88,;22.31,-40.11,;20.98,-40.88,;20.97,-42.41,;22.31,-38.57,;20.98,-37.8,;20.21,-36.47,;19.44,-37.8,;23.65,-37.8,;23.65,-36.26,;24.98,-38.57,;26.31,-37.8,;27.64,-38.56,;28.97,-37.79,;27.65,-40.11,;28.98,-40.88,;26.31,-40.89,;26.31,-42.43,;24.98,-40.11,)|
Show InChI InChI=1S/C21H30Cl2N4O2/c1-26(2)10-9-25-20(28)13-3-5-15(6-4-13)27(16-7-8-16)21(29)14-11-17(22)19(24)18(23)12-14/h11-13,15-16H,3-10,24H2,1-2H3,(H,25,28)/t13-,15+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
17n/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))
BDBM50195488
PNG
(CHEMBL374487 | N-((1s,4s)-4-((2-(dimethylamino)eth...)
Show SMILES CN(C)CCNC(=O)[C@@H]1CC[C@@H](CC1)N(C1CC1)C(=O)c1cc(Cl)c(N)c(Cl)c1 |wU:8.7,11.14,(26.28,-50.13,;24.95,-49.36,;23.61,-50.12,;24.96,-47.82,;23.62,-47.04,;23.63,-45.5,;22.3,-44.73,;20.96,-45.5,;22.3,-43.19,;23.64,-42.42,;23.65,-40.88,;22.31,-40.11,;20.98,-40.88,;20.97,-42.41,;22.31,-38.57,;20.98,-37.8,;20.21,-36.47,;19.44,-37.8,;23.65,-37.8,;23.65,-36.26,;24.98,-38.57,;26.31,-37.8,;27.64,-38.56,;28.97,-37.79,;27.65,-40.11,;28.98,-40.88,;26.31,-40.89,;26.31,-42.43,;24.98,-40.11,)|
Show InChI InChI=1S/C21H30Cl2N4O2/c1-26(2)10-9-25-20(28)13-3-5-15(6-4-13)27(16-7-8-16)21(29)14-11-17(22)19(24)18(23)12-14/h11-13,15-16H,3-10,24H2,1-2H3,(H,25,28)/t13-,15+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.10E+3n/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 1


(Homo sapiens (Human))
BDBM50195488
PNG
(CHEMBL374487 | N-((1s,4s)-4-((2-(dimethylamino)eth...)
Show SMILES CN(C)CCNC(=O)[C@@H]1CC[C@@H](CC1)N(C1CC1)C(=O)c1cc(Cl)c(N)c(Cl)c1 |wU:8.7,11.14,(26.28,-50.13,;24.95,-49.36,;23.61,-50.12,;24.96,-47.82,;23.62,-47.04,;23.63,-45.5,;22.3,-44.73,;20.96,-45.5,;22.3,-43.19,;23.64,-42.42,;23.65,-40.88,;22.31,-40.11,;20.98,-40.88,;20.97,-42.41,;22.31,-38.57,;20.98,-37.8,;20.21,-36.47,;19.44,-37.8,;23.65,-37.8,;23.65,-36.26,;24.98,-38.57,;26.31,-37.8,;27.64,-38.56,;28.97,-37.79,;27.65,-40.11,;28.98,-40.88,;26.31,-40.89,;26.31,-42.43,;24.98,-40.11,)|
Show InChI InChI=1S/C21H30Cl2N4O2/c1-26(2)10-9-25-20(28)13-3-5-15(6-4-13)27(16-7-8-16)21(29)14-11-17(22)19(24)18(23)12-14/h11-13,15-16H,3-10,24H2,1-2H3,(H,25,28)/t13-,15+
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>3.00E+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
11-beta-hydroxysteroid dehydrogenase 2


(Rattus norvegicus)
BDBM50195488
PNG
(CHEMBL374487 | N-((1s,4s)-4-((2-(dimethylamino)eth...)
Show SMILES CN(C)CCNC(=O)[C@@H]1CC[C@@H](CC1)N(C1CC1)C(=O)c1cc(Cl)c(N)c(Cl)c1 |wU:8.7,11.14,(26.28,-50.13,;24.95,-49.36,;23.61,-50.12,;24.96,-47.82,;23.62,-47.04,;23.63,-45.5,;22.3,-44.73,;20.96,-45.5,;22.3,-43.19,;23.64,-42.42,;23.65,-40.88,;22.31,-40.11,;20.98,-40.88,;20.97,-42.41,;22.31,-38.57,;20.98,-37.8,;20.21,-36.47,;19.44,-37.8,;23.65,-37.8,;23.65,-36.26,;24.98,-38.57,;26.31,-37.8,;27.64,-38.56,;28.97,-37.79,;27.65,-40.11,;28.98,-40.88,;26.31,-40.89,;26.31,-42.43,;24.98,-40.11,)|
Show InChI InChI=1S/C21H30Cl2N4O2/c1-26(2)10-9-25-20(28)13-3-5-15(6-4-13)27(16-7-8-16)21(29)14-11-17(22)19(24)18(23)12-14/h11-13,15-16H,3-10,24H2,1-2H3,(H,25,28)/t13-,15+
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 2


(Homo sapiens (Human))
BDBM50195488
PNG
(CHEMBL374487 | N-((1s,4s)-4-((2-(dimethylamino)eth...)
Show SMILES CN(C)CCNC(=O)[C@@H]1CC[C@@H](CC1)N(C1CC1)C(=O)c1cc(Cl)c(N)c(Cl)c1 |wU:8.7,11.14,(26.28,-50.13,;24.95,-49.36,;23.61,-50.12,;24.96,-47.82,;23.62,-47.04,;23.63,-45.5,;22.3,-44.73,;20.96,-45.5,;22.3,-43.19,;23.64,-42.42,;23.65,-40.88,;22.31,-40.11,;20.98,-40.88,;20.97,-42.41,;22.31,-38.57,;20.98,-37.8,;20.21,-36.47,;19.44,-37.8,;23.65,-37.8,;23.65,-36.26,;24.98,-38.57,;26.31,-37.8,;27.64,-38.56,;28.97,-37.79,;27.65,-40.11,;28.98,-40.88,;26.31,-40.89,;26.31,-42.43,;24.98,-40.11,)|
Show InChI InChI=1S/C21H30Cl2N4O2/c1-26(2)10-9-25-20(28)13-3-5-15(6-4-13)27(16-7-8-16)21(29)14-11-17(22)19(24)18(23)12-14/h11-13,15-16H,3-10,24H2,1-2H3,(H,25,28)/t13-,15+
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