BDBM50202096 CHEMBL219494::N-(5-fluoro-7-hydroxyadamantan-2-yl)-2-[4-(5-trifluoromethylpyridin-2-yl)piperazin-1-yl]propionamide

SMILES: CC(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2C[C@]3(O)CC1C[C@](F)(C2)C3

InChI Key: InChIKey=UNJXSHLBIKAOCS-RXXJQVMPSA-N

Data: 2 KI  1 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 3 hits for monomerid = 50202096   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50202096 (CHEMBL219494 | N-(5-fluoro-7-hydroxyadamantan-2-yl...) Show SMILES CC(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2C[C@]3(O)CC1C[C@](F)(C2)C3 |r,wU:21.22,29.32,wD:24.26,TLB:31:29:26:23.22.21,21:22:32:28.27.26,21:27:32:23.31.22,20:21:32.29.28:26,30:29:26:23.22.21,THB:31:22:32.29.28:26,(-2.15,-14.64,;-2.13,-16.18,;-.79,-16.93,;-.8,-18.48,;.53,-19.25,;1.87,-18.48,;1.87,-16.94,;.54,-16.16,;3.17,-19.31,;3.09,-20.85,;4.39,-21.67,;5.76,-20.96,;5.82,-19.41,;4.52,-18.6,;7.06,-21.79,;8.37,-22.59,;6.25,-23.09,;7.88,-20.48,;-3.45,-16.97,;-3.42,-18.51,;-4.79,-16.22,;-6.12,-17.02,;-6.19,-18.54,;-7.6,-18.83,;-8.91,-18.28,;-10.27,-17.67,;-8.85,-16.79,;-7.48,-16.38,;-8.58,-17.56,;-8.64,-19.15,;-8.71,-20.68,;-7.27,-19.77,;-10.16,-19.5,)| Show InChI InChI=1S/C23H30F4N4O2/c1-14(20(32)29-19-15-8-21(24)9-16(19)11-22(33,10-15)13-21)30-4-6-31(7-5-30)18-3-2-17(12-28-18)23(25,26)27/h2-3,12,14-16,19,33H,4-11,13H2,1H3,(H,29,32)/t14?,15?,16?,19-,21+,22-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 expressed in E. coli by SPA				J Med Chem 50: 149-64 (2007) Article DOI: 10.1021/jm0609364 BindingDB Entry DOI: 10.7270/Q2Z60NQN
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50202096 (CHEMBL219494 | N-(5-fluoro-7-hydroxyadamantan-2-yl...) Show SMILES CC(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2C[C@]3(O)CC1C[C@](F)(C2)C3 |r,wU:21.22,29.32,wD:24.26,TLB:31:29:26:23.22.21,21:22:32:28.27.26,21:27:32:23.31.22,20:21:32.29.28:26,30:29:26:23.22.21,THB:31:22:32.29.28:26,(-2.15,-14.64,;-2.13,-16.18,;-.79,-16.93,;-.8,-18.48,;.53,-19.25,;1.87,-18.48,;1.87,-16.94,;.54,-16.16,;3.17,-19.31,;3.09,-20.85,;4.39,-21.67,;5.76,-20.96,;5.82,-19.41,;4.52,-18.6,;7.06,-21.79,;8.37,-22.59,;6.25,-23.09,;7.88,-20.48,;-3.45,-16.97,;-3.42,-18.51,;-4.79,-16.22,;-6.12,-17.02,;-6.19,-18.54,;-7.6,-18.83,;-8.91,-18.28,;-10.27,-17.67,;-8.85,-16.79,;-7.48,-16.38,;-8.58,-17.56,;-8.64,-19.15,;-8.71,-20.68,;-7.27,-19.77,;-10.16,-19.5,)| Show InChI InChI=1S/C23H30F4N4O2/c1-14(20(32)29-19-15-8-21(24)9-16(19)11-22(33,10-15)13-21)30-4-6-31(7-5-30)18-3-2-17(12-28-18)23(25,26)27/h2-3,12,14-16,19,33H,4-11,13H2,1H3,(H,29,32)/t14?,15?,16?,19-,21+,22-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1 expressed in E. coli by SPA				J Med Chem 50: 149-64 (2007) Article DOI: 10.1021/jm0609364 BindingDB Entry DOI: 10.7270/Q2Z60NQN
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50202096 (CHEMBL219494 | N-(5-fluoro-7-hydroxyadamantan-2-yl...) Show SMILES CC(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2C[C@]3(O)CC1C[C@](F)(C2)C3 |r,wU:21.22,29.32,wD:24.26,TLB:31:29:26:23.22.21,21:22:32:28.27.26,21:27:32:23.31.22,20:21:32.29.28:26,30:29:26:23.22.21,THB:31:22:32.29.28:26,(-2.15,-14.64,;-2.13,-16.18,;-.79,-16.93,;-.8,-18.48,;.53,-19.25,;1.87,-18.48,;1.87,-16.94,;.54,-16.16,;3.17,-19.31,;3.09,-20.85,;4.39,-21.67,;5.76,-20.96,;5.82,-19.41,;4.52,-18.6,;7.06,-21.79,;8.37,-22.59,;6.25,-23.09,;7.88,-20.48,;-3.45,-16.97,;-3.42,-18.51,;-4.79,-16.22,;-6.12,-17.02,;-6.19,-18.54,;-7.6,-18.83,;-8.91,-18.28,;-10.27,-17.67,;-8.85,-16.79,;-7.48,-16.38,;-8.58,-17.56,;-8.64,-19.15,;-8.71,-20.68,;-7.27,-19.77,;-10.16,-19.5,)| Show InChI InChI=1S/C23H30F4N4O2/c1-14(20(32)29-19-15-8-21(24)9-16(19)11-22(33,10-15)13-21)30-4-6-31(7-5-30)18-3-2-17(12-28-18)23(25,26)27/h2-3,12,14-16,19,33H,4-11,13H2,1H3,(H,29,32)/t14?,15?,16?,19-,21+,22-	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/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 expressed in HEK293 cells by FPIA				J Med Chem 50: 149-64 (2007) Article DOI: 10.1021/jm0609364 BindingDB Entry DOI: 10.7270/Q2Z60NQN
					More data for this Ligand-Target Pair