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BDBM28365 CHEMBL512355::N-[4-(2-cyanoethyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide::cyclohexyl benzamide derivative, 4

SMILES: C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@H](CCC#N)CC1)C(F)(F)F

InChI Key: InChIKey=IHSUMNRQVFTRRP-XERREHJYSA-N

Data: 6 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 6 hits for monomerid = 28365   
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


(Homo sapiens (Human))		BDBM28365
PNG
(CHEMBL512355 | N-[4-(2-cyanoethyl)cyclohexyl]-N-cy...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@H](CCC#N)CC1)C(F)(F)F |r,wU:15.16,1.0,wD:18.20,1.1,(-12.83,5.36,;-11.49,6.13,;-12.98,6.52,;-10.16,5.36,;-10.16,3.81,;-8.83,3.04,;-7.49,3.81,;-7.49,5.36,;-8.83,6.13,;-6.16,3.05,;-6.16,1.51,;-4.83,3.82,;-4.83,5.36,;-5.57,6.7,;-4.03,6.67,;-3.49,3.05,;-2.16,3.82,;-.82,3.05,;-.82,1.5,;.51,.73,;1.84,1.51,;3.18,.74,;4.51,-.03,;-2.16,.73,;-3.49,1.5,;-11.49,7.67,;-10.16,8.44,;-12.83,8.44,;-11.49,9.21,)|
Show InChI InChI=1S/C22H27F3N2O2/c1-21(29,22(23,24)25)17-8-6-16(7-9-17)20(28)27(19-12-13-19)18-10-4-15(5-11-18)3-2-14-26/h6-9,15,18-19,29H,2-5,10-13H2,1H3/t15-,18-,21-/m0/s1
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n/an/a 0.700n/an/an/an/a7.522



Amgen



Assay Description
Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine e...

Bioorg Med Chem Lett 19: 1797-801 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.058
BindingDB Entry DOI: 10.7270/Q2FB5180
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (Human))		BDBM28365
PNG
(CHEMBL512355 | N-[4-(2-cyanoethyl)cyclohexyl]-N-cy...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@H](CCC#N)CC1)C(F)(F)F |r,wU:15.16,1.0,wD:18.20,1.1,(-12.83,5.36,;-11.49,6.13,;-12.98,6.52,;-10.16,5.36,;-10.16,3.81,;-8.83,3.04,;-7.49,3.81,;-7.49,5.36,;-8.83,6.13,;-6.16,3.05,;-6.16,1.51,;-4.83,3.82,;-4.83,5.36,;-5.57,6.7,;-4.03,6.67,;-3.49,3.05,;-2.16,3.82,;-.82,3.05,;-.82,1.5,;.51,.73,;1.84,1.51,;3.18,.74,;4.51,-.03,;-2.16,.73,;-3.49,1.5,;-11.49,7.67,;-10.16,8.44,;-12.83,8.44,;-11.49,9.21,)|
Show InChI InChI=1S/C22H27F3N2O2/c1-21(29,22(23,24)25)17-8-6-16(7-9-17)20(28)27(19-12-13-19)18-10-4-15(5-11-18)3-2-14-26/h6-9,15,18-19,29H,2-5,10-13H2,1H3/t15-,18-,21-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD2 by scintillation proximity assay

J Med Chem 51: 3953-60 (2008)


Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM28365
PNG
(CHEMBL512355 | N-[4-(2-cyanoethyl)cyclohexyl]-N-cy...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@H](CCC#N)CC1)C(F)(F)F |r,wU:15.16,1.0,wD:18.20,1.1,(-12.83,5.36,;-11.49,6.13,;-12.98,6.52,;-10.16,5.36,;-10.16,3.81,;-8.83,3.04,;-7.49,3.81,;-7.49,5.36,;-8.83,6.13,;-6.16,3.05,;-6.16,1.51,;-4.83,3.82,;-4.83,5.36,;-5.57,6.7,;-4.03,6.67,;-3.49,3.05,;-2.16,3.82,;-.82,3.05,;-.82,1.5,;.51,.73,;1.84,1.51,;3.18,.74,;4.51,-.03,;-2.16,.73,;-3.49,1.5,;-11.49,7.67,;-10.16,8.44,;-12.83,8.44,;-11.49,9.21,)|
Show InChI InChI=1S/C22H27F3N2O2/c1-21(29,22(23,24)25)17-8-6-16(7-9-17)20(28)27(19-12-13-19)18-10-4-15(5-11-18)3-2-14-26/h6-9,15,18-19,29H,2-5,10-13H2,1H3/t15-,18-,21-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in HEK293 cells in presence of 3% human serum albumin

J Med Chem 51: 3953-60 (2008)


Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM28365
PNG
(CHEMBL512355 | N-[4-(2-cyanoethyl)cyclohexyl]-N-cy...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@H](CCC#N)CC1)C(F)(F)F |r,wU:15.16,1.0,wD:18.20,1.1,(-12.83,5.36,;-11.49,6.13,;-12.98,6.52,;-10.16,5.36,;-10.16,3.81,;-8.83,3.04,;-7.49,3.81,;-7.49,5.36,;-8.83,6.13,;-6.16,3.05,;-6.16,1.51,;-4.83,3.82,;-4.83,5.36,;-5.57,6.7,;-4.03,6.67,;-3.49,3.05,;-2.16,3.82,;-.82,3.05,;-.82,1.5,;.51,.73,;1.84,1.51,;3.18,.74,;4.51,-.03,;-2.16,.73,;-3.49,1.5,;-11.49,7.67,;-10.16,8.44,;-12.83,8.44,;-11.49,9.21,)|
Show InChI InChI=1S/C22H27F3N2O2/c1-21(29,22(23,24)25)17-8-6-16(7-9-17)20(28)27(19-12-13-19)18-10-4-15(5-11-18)3-2-14-26/h6-9,15,18-19,29H,2-5,10-13H2,1H3/t15-,18-,21-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cloned 11beta-HSD1 by scintillation proximity assay

J Med Chem 51: 3953-60 (2008)


Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM28365
PNG
(CHEMBL512355 | N-[4-(2-cyanoethyl)cyclohexyl]-N-cy...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@H](CCC#N)CC1)C(F)(F)F |r,wU:15.16,1.0,wD:18.20,1.1,(-12.83,5.36,;-11.49,6.13,;-12.98,6.52,;-10.16,5.36,;-10.16,3.81,;-8.83,3.04,;-7.49,3.81,;-7.49,5.36,;-8.83,6.13,;-6.16,3.05,;-6.16,1.51,;-4.83,3.82,;-4.83,5.36,;-5.57,6.7,;-4.03,6.67,;-3.49,3.05,;-2.16,3.82,;-.82,3.05,;-.82,1.5,;.51,.73,;1.84,1.51,;3.18,.74,;4.51,-.03,;-2.16,.73,;-3.49,1.5,;-11.49,7.67,;-10.16,8.44,;-12.83,8.44,;-11.49,9.21,)|
Show InChI InChI=1S/C22H27F3N2O2/c1-21(29,22(23,24)25)17-8-6-16(7-9-17)20(28)27(19-12-13-19)18-10-4-15(5-11-18)3-2-14-26/h6-9,15,18-19,29H,2-5,10-13H2,1H3/t15-,18-,21-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in HEK293 cells

J Med Chem 51: 3953-60 (2008)


Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM28365
PNG
(CHEMBL512355 | N-[4-(2-cyanoethyl)cyclohexyl]-N-cy...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@H](CCC#N)CC1)C(F)(F)F |r,wU:15.16,1.0,wD:18.20,1.1,(-12.83,5.36,;-11.49,6.13,;-12.98,6.52,;-10.16,5.36,;-10.16,3.81,;-8.83,3.04,;-7.49,3.81,;-7.49,5.36,;-8.83,6.13,;-6.16,3.05,;-6.16,1.51,;-4.83,3.82,;-4.83,5.36,;-5.57,6.7,;-4.03,6.67,;-3.49,3.05,;-2.16,3.82,;-.82,3.05,;-.82,1.5,;.51,.73,;1.84,1.51,;3.18,.74,;4.51,-.03,;-2.16,.73,;-3.49,1.5,;-11.49,7.67,;-10.16,8.44,;-12.83,8.44,;-11.49,9.21,)|
Show InChI InChI=1S/C22H27F3N2O2/c1-21(29,22(23,24)25)17-8-6-16(7-9-17)20(28)27(19-12-13-19)18-10-4-15(5-11-18)3-2-14-26/h6-9,15,18-19,29H,2-5,10-13H2,1H3/t15-,18-,21-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human adipocytes

J Med Chem 51: 3953-60 (2008)


Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ
More data for this
Ligand-Target Pair