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BDBM50192683 (3s,9s)-9-(2-methyl-2-(4-(5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)propanamido)bicyclo[3.3.1]nonane-3-carboxamide::CHEMBL384426

SMILES: CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@@H]1C2CCCC1C[C@H](C2)C(N)=O

InChI Key: InChIKey=SXGLAMMLCWTPKO-SUFHFBDXSA-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 = 50192683   
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))		BDBM50192683
PNG
((3s,9s)-9-(2-methyl-2-(4-(5-(trifluoromethyl)pyrid...)
Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@@H]1C2CCCC1C[C@H](C2)C(N)=O |wD:22.23,29.34,TLB:21:22:30.29.28:24.26.25,THB:31:29:24.26.25:22,(21.32,-19.45,;22.66,-18.69,;23.99,-19.47,;23.99,-17.92,;25.33,-18.71,;26.66,-17.94,;26.67,-16.41,;25.34,-15.63,;24,-16.4,;28,-15.64,;28,-14.11,;29.33,-13.34,;30.67,-14.12,;30.66,-15.66,;29.33,-16.42,;32.01,-13.35,;33.33,-12.57,;32.78,-14.68,;31.23,-12.02,;21.33,-17.92,;21.33,-16.38,;20.43,-18.42,;18.97,-17.59,;18.4,-19.16,;18.39,-21.49,;16.36,-21.43,;17.35,-20.73,;17.35,-18.05,;16.01,-18.06,;15.49,-17.12,;15.46,-19.08,;14,-17.52,;12.91,-16.43,;13.59,-19,)|
Show InChI InChI=1S/C24H34F3N5O2/c1-23(2,22(34)30-20-15-4-3-5-16(20)13-17(12-15)21(28)33)32-10-8-31(9-11-32)19-7-6-18(14-29-19)24(25,26)27/h6-7,14-17,20H,3-5,8-13H2,1-2H3,(H2,28,33)(H,30,34)/t15?,16?,17-,20+
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n/an/a 73n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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

Bioorg Med Chem Lett 16: 5408-13 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50192683
PNG
((3s,9s)-9-(2-methyl-2-(4-(5-(trifluoromethyl)pyrid...)
Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@@H]1C2CCCC1C[C@H](C2)C(N)=O |wD:22.23,29.34,TLB:21:22:30.29.28:24.26.25,THB:31:29:24.26.25:22,(21.32,-19.45,;22.66,-18.69,;23.99,-19.47,;23.99,-17.92,;25.33,-18.71,;26.66,-17.94,;26.67,-16.41,;25.34,-15.63,;24,-16.4,;28,-15.64,;28,-14.11,;29.33,-13.34,;30.67,-14.12,;30.66,-15.66,;29.33,-16.42,;32.01,-13.35,;33.33,-12.57,;32.78,-14.68,;31.23,-12.02,;21.33,-17.92,;21.33,-16.38,;20.43,-18.42,;18.97,-17.59,;18.4,-19.16,;18.39,-21.49,;16.36,-21.43,;17.35,-20.73,;17.35,-18.05,;16.01,-18.06,;15.49,-17.12,;15.46,-19.08,;14,-17.52,;12.91,-16.43,;13.59,-19,)|
Show InChI InChI=1S/C24H34F3N5O2/c1-23(2,22(34)30-20-15-4-3-5-16(20)13-17(12-15)21(28)33)32-10-8-31(9-11-32)19-7-6-18(14-29-19)24(25,26)27/h6-7,14-17,20H,3-5,8-13H2,1-2H3,(H2,28,33)(H,30,34)/t15?,16?,17-,20+
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n/an/a 88n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1

Bioorg Med Chem Lett 16: 5408-13 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM50192683
PNG
((3s,9s)-9-(2-methyl-2-(4-(5-(trifluoromethyl)pyrid...)
Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@@H]1C2CCCC1C[C@H](C2)C(N)=O |wD:22.23,29.34,TLB:21:22:30.29.28:24.26.25,THB:31:29:24.26.25:22,(21.32,-19.45,;22.66,-18.69,;23.99,-19.47,;23.99,-17.92,;25.33,-18.71,;26.66,-17.94,;26.67,-16.41,;25.34,-15.63,;24,-16.4,;28,-15.64,;28,-14.11,;29.33,-13.34,;30.67,-14.12,;30.66,-15.66,;29.33,-16.42,;32.01,-13.35,;33.33,-12.57,;32.78,-14.68,;31.23,-12.02,;21.33,-17.92,;21.33,-16.38,;20.43,-18.42,;18.97,-17.59,;18.4,-19.16,;18.39,-21.49,;16.36,-21.43,;17.35,-20.73,;17.35,-18.05,;16.01,-18.06,;15.49,-17.12,;15.46,-19.08,;14,-17.52,;12.91,-16.43,;13.59,-19,)|
Show InChI InChI=1S/C24H34F3N5O2/c1-23(2,22(34)30-20-15-4-3-5-16(20)13-17(12-15)21(28)33)32-10-8-31(9-11-32)19-7-6-18(14-29-19)24(25,26)27/h6-7,14-17,20H,3-5,8-13H2,1-2H3,(H2,28,33)(H,30,34)/t15?,16?,17-,20+
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n/an/a 87.1n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1

Bioorg Med Chem Lett 18: 2479-90 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.042
BindingDB Entry DOI: 10.7270/Q2QC04Q0
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (Human))		BDBM50192683
PNG
((3s,9s)-9-(2-methyl-2-(4-(5-(trifluoromethyl)pyrid...)
Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@@H]1C2CCCC1C[C@H](C2)C(N)=O |wD:22.23,29.34,TLB:21:22:30.29.28:24.26.25,THB:31:29:24.26.25:22,(21.32,-19.45,;22.66,-18.69,;23.99,-19.47,;23.99,-17.92,;25.33,-18.71,;26.66,-17.94,;26.67,-16.41,;25.34,-15.63,;24,-16.4,;28,-15.64,;28,-14.11,;29.33,-13.34,;30.67,-14.12,;30.66,-15.66,;29.33,-16.42,;32.01,-13.35,;33.33,-12.57,;32.78,-14.68,;31.23,-12.02,;21.33,-17.92,;21.33,-16.38,;20.43,-18.42,;18.97,-17.59,;18.4,-19.16,;18.39,-21.49,;16.36,-21.43,;17.35,-20.73,;17.35,-18.05,;16.01,-18.06,;15.49,-17.12,;15.46,-19.08,;14,-17.52,;12.91,-16.43,;13.59,-19,)|
Show InChI InChI=1S/C24H34F3N5O2/c1-23(2,22(34)30-20-15-4-3-5-16(20)13-17(12-15)21(28)33)32-10-8-31(9-11-32)19-7-6-18(14-29-19)24(25,26)27/h6-7,14-17,20H,3-5,8-13H2,1-2H3,(H2,28,33)(H,30,34)/t15?,16?,17-,20+
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n/an/a>3.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD2

Bioorg Med Chem Lett 16: 5408-13 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 2 (11-beta-HSD2)


(Mus musculus (mouse))		BDBM50192683
PNG
((3s,9s)-9-(2-methyl-2-(4-(5-(trifluoromethyl)pyrid...)
Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@@H]1C2CCCC1C[C@H](C2)C(N)=O |wD:22.23,29.34,TLB:21:22:30.29.28:24.26.25,THB:31:29:24.26.25:22,(21.32,-19.45,;22.66,-18.69,;23.99,-19.47,;23.99,-17.92,;25.33,-18.71,;26.66,-17.94,;26.67,-16.41,;25.34,-15.63,;24,-16.4,;28,-15.64,;28,-14.11,;29.33,-13.34,;30.67,-14.12,;30.66,-15.66,;29.33,-16.42,;32.01,-13.35,;33.33,-12.57,;32.78,-14.68,;31.23,-12.02,;21.33,-17.92,;21.33,-16.38,;20.43,-18.42,;18.97,-17.59,;18.4,-19.16,;18.39,-21.49,;16.36,-21.43,;17.35,-20.73,;17.35,-18.05,;16.01,-18.06,;15.49,-17.12,;15.46,-19.08,;14,-17.52,;12.91,-16.43,;13.59,-19,)|
Show InChI InChI=1S/C24H34F3N5O2/c1-23(2,22(34)30-20-15-4-3-5-16(20)13-17(12-15)21(28)33)32-10-8-31(9-11-32)19-7-6-18(14-29-19)24(25,26)27/h6-7,14-17,20H,3-5,8-13H2,1-2H3,(H2,28,33)(H,30,34)/t15?,16?,17-,20+
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n/an/a>3.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD2

Bioorg Med Chem Lett 16: 5408-13 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))		BDBM50192683
PNG
((3s,9s)-9-(2-methyl-2-(4-(5-(trifluoromethyl)pyrid...)
Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@@H]1C2CCCC1C[C@H](C2)C(N)=O |wD:22.23,29.34,TLB:21:22:30.29.28:24.26.25,THB:31:29:24.26.25:22,(21.32,-19.45,;22.66,-18.69,;23.99,-19.47,;23.99,-17.92,;25.33,-18.71,;26.66,-17.94,;26.67,-16.41,;25.34,-15.63,;24,-16.4,;28,-15.64,;28,-14.11,;29.33,-13.34,;30.67,-14.12,;30.66,-15.66,;29.33,-16.42,;32.01,-13.35,;33.33,-12.57,;32.78,-14.68,;31.23,-12.02,;21.33,-17.92,;21.33,-16.38,;20.43,-18.42,;18.97,-17.59,;18.4,-19.16,;18.39,-21.49,;16.36,-21.43,;17.35,-20.73,;17.35,-18.05,;16.01,-18.06,;15.49,-17.12,;15.46,-19.08,;14,-17.52,;12.91,-16.43,;13.59,-19,)|
Show InChI InChI=1S/C24H34F3N5O2/c1-23(2,22(34)30-20-15-4-3-5-16(20)13-17(12-15)21(28)33)32-10-8-31(9-11-32)19-7-6-18(14-29-19)24(25,26)27/h6-7,14-17,20H,3-5,8-13H2,1-2H3,(H2,28,33)(H,30,34)/t15?,16?,17-,20+
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n/an/a 4.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1

Bioorg Med Chem Lett 16: 5408-13 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS
More data for this
Ligand-Target Pair