BDBM50202101 CHEMBL218096::N-(5,7-dihydroxyadamantan-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@](O)(C2)C3

InChI Key: InChIKey=GRTKULGZKVKGDY-SVYDNSTASA-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 = 50202101   

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))	BDBM50202101 (CHEMBL218096 | N-(5,7-dihydroxyadamantan-2-yl)-2-[...) Show SMILES CC(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2C[C@]3(O)CC1C[C@](O)(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,(-2.21,-25.66,;-2.13,-27.19,;-.76,-27.9,;-.73,-29.44,;.61,-30.18,;1.93,-29.39,;1.9,-27.85,;.55,-27.1,;3.25,-30.19,;3.21,-31.72,;4.53,-32.52,;5.88,-31.77,;5.91,-30.23,;4.59,-29.44,;7.2,-32.57,;8.52,-33.34,;6.42,-33.89,;7.99,-31.25,;-3.42,-28.03,;-3.35,-29.57,;-4.79,-27.33,;-6.09,-28.16,;-6.12,-29.69,;-7.52,-30.02,;-8.84,-29.51,;-10.18,-28.74,;-8.83,-28.03,;-7.48,-27.57,;-8.53,-28.79,;-8.54,-30.37,;-8.56,-31.91,;-7.15,-30.96,;-10.05,-30.78,)| Show InChI InChI=1S/C23H31F3N4O3/c1-14(20(31)28-19-15-8-21(32)10-16(19)11-22(33,9-15)13-21)29-4-6-30(7-5-29)18-3-2-17(12-27-18)23(24,25)26/h2-3,12,14-16,19,32-33H,4-11,13H2,1H3,(H,28,31)/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	62	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))	BDBM50202101 (CHEMBL218096 | N-(5,7-dihydroxyadamantan-2-yl)-2-[...) Show SMILES CC(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2C[C@]3(O)CC1C[C@](O)(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,(-2.21,-25.66,;-2.13,-27.19,;-.76,-27.9,;-.73,-29.44,;.61,-30.18,;1.93,-29.39,;1.9,-27.85,;.55,-27.1,;3.25,-30.19,;3.21,-31.72,;4.53,-32.52,;5.88,-31.77,;5.91,-30.23,;4.59,-29.44,;7.2,-32.57,;8.52,-33.34,;6.42,-33.89,;7.99,-31.25,;-3.42,-28.03,;-3.35,-29.57,;-4.79,-27.33,;-6.09,-28.16,;-6.12,-29.69,;-7.52,-30.02,;-8.84,-29.51,;-10.18,-28.74,;-8.83,-28.03,;-7.48,-27.57,;-8.53,-28.79,;-8.54,-30.37,;-8.56,-31.91,;-7.15,-30.96,;-10.05,-30.78,)| Show InChI InChI=1S/C23H31F3N4O3/c1-14(20(31)28-19-15-8-21(32)10-16(19)11-22(33,9-15)13-21)29-4-6-30(7-5-29)18-3-2-17(12-27-18)23(24,25)26/h2-3,12,14-16,19,32-33H,4-11,13H2,1H3,(H,28,31)/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	4.10E+3	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))	BDBM50202101 (CHEMBL218096 | N-(5,7-dihydroxyadamantan-2-yl)-2-[...) Show SMILES CC(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2C[C@]3(O)CC1C[C@](O)(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,(-2.21,-25.66,;-2.13,-27.19,;-.76,-27.9,;-.73,-29.44,;.61,-30.18,;1.93,-29.39,;1.9,-27.85,;.55,-27.1,;3.25,-30.19,;3.21,-31.72,;4.53,-32.52,;5.88,-31.77,;5.91,-30.23,;4.59,-29.44,;7.2,-32.57,;8.52,-33.34,;6.42,-33.89,;7.99,-31.25,;-3.42,-28.03,;-3.35,-29.57,;-4.79,-27.33,;-6.09,-28.16,;-6.12,-29.69,;-7.52,-30.02,;-8.84,-29.51,;-10.18,-28.74,;-8.83,-28.03,;-7.48,-27.57,;-8.53,-28.79,;-8.54,-30.37,;-8.56,-31.91,;-7.15,-30.96,;-10.05,-30.78,)| Show InChI InChI=1S/C23H31F3N4O3/c1-14(20(31)28-19-15-8-21(32)10-16(19)11-22(33,9-15)13-21)29-4-6-30(7-5-29)18-3-2-17(12-27-18)23(24,25)26/h2-3,12,14-16,19,32-33H,4-11,13H2,1H3,(H,28,31)/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	2.10E+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