BDBM50202103 CHEMBL374922::N-(5,7-dihydroxy-adamantan-2-yl)-2-[4-(5-trifluoromethylpyridin-2-yl)-piperazin-1-yl]-isobutyramide

SMILES: CC(C)(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=GWLIXGZMSITJSQ-PRKLCYHFSA-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 = 50202103   

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))	BDBM50202103 (CHEMBL374922 | N-(5,7-dihydroxy-adamantan-2-yl)-2-...) Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2C[C@]3(O)CC1C[C@](O)(C2)C3 |r,wU:22.23,30.33,wD:25.27,TLB:32:30:27:24.23.22,22:23:33:29.28.27,22:28:33:24.32.23,21:22:33.30.29:27,31:30:27:24.23.22,THB:32:23:33.30.29:27,(-1.75,-43.94,;-2.61,-42.66,;-3.47,-41.38,;-1.34,-41.79,;.03,-42.5,;1.32,-41.67,;1.25,-40.13,;-.12,-39.43,;-1.42,-40.26,;2.57,-39.35,;3.91,-40.11,;5.24,-39.32,;5.22,-37.78,;3.87,-37.03,;2.55,-37.81,;6.55,-37,;7.85,-36.2,;7.34,-38.32,;5.76,-35.67,;-3.9,-43.52,;-3.87,-45.06,;-5.25,-42.77,;-6.57,-43.57,;-6.65,-45.09,;-8.06,-45.38,;-9.36,-44.83,;-10.68,-44.01,;-9.3,-43.34,;-7.93,-42.93,;-9.03,-44.11,;-9.09,-45.7,;-9.16,-47.23,;-7.72,-46.32,;-10.61,-46.05,)| Show InChI InChI=1S/C24H33F3N4O3/c1-21(2,20(32)29-19-15-9-22(33)11-16(19)12-23(34,10-15)14-22)31-7-5-30(6-8-31)18-4-3-17(13-28-18)24(25,26)27/h3-4,13,15-16,19,33-34H,5-12,14H2,1-2H3,(H,29,32)/t15?,16?,19-,22-,23+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	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))	BDBM50202103 (CHEMBL374922 | N-(5,7-dihydroxy-adamantan-2-yl)-2-...) Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2C[C@]3(O)CC1C[C@](O)(C2)C3 |r,wU:22.23,30.33,wD:25.27,TLB:32:30:27:24.23.22,22:23:33:29.28.27,22:28:33:24.32.23,21:22:33.30.29:27,31:30:27:24.23.22,THB:32:23:33.30.29:27,(-1.75,-43.94,;-2.61,-42.66,;-3.47,-41.38,;-1.34,-41.79,;.03,-42.5,;1.32,-41.67,;1.25,-40.13,;-.12,-39.43,;-1.42,-40.26,;2.57,-39.35,;3.91,-40.11,;5.24,-39.32,;5.22,-37.78,;3.87,-37.03,;2.55,-37.81,;6.55,-37,;7.85,-36.2,;7.34,-38.32,;5.76,-35.67,;-3.9,-43.52,;-3.87,-45.06,;-5.25,-42.77,;-6.57,-43.57,;-6.65,-45.09,;-8.06,-45.38,;-9.36,-44.83,;-10.68,-44.01,;-9.3,-43.34,;-7.93,-42.93,;-9.03,-44.11,;-9.09,-45.7,;-9.16,-47.23,;-7.72,-46.32,;-10.61,-46.05,)| Show InChI InChI=1S/C24H33F3N4O3/c1-21(2,20(32)29-19-15-9-22(33)11-16(19)12-23(34,10-15)14-22)31-7-5-30(6-8-31)18-4-3-17(13-28-18)24(25,26)27/h3-4,13,15-16,19,33-34H,5-12,14H2,1-2H3,(H,29,32)/t15?,16?,19-,22-,23+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	470	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))	BDBM50202103 (CHEMBL374922 | N-(5,7-dihydroxy-adamantan-2-yl)-2-...) Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2C[C@]3(O)CC1C[C@](O)(C2)C3 |r,wU:22.23,30.33,wD:25.27,TLB:32:30:27:24.23.22,22:23:33:29.28.27,22:28:33:24.32.23,21:22:33.30.29:27,31:30:27:24.23.22,THB:32:23:33.30.29:27,(-1.75,-43.94,;-2.61,-42.66,;-3.47,-41.38,;-1.34,-41.79,;.03,-42.5,;1.32,-41.67,;1.25,-40.13,;-.12,-39.43,;-1.42,-40.26,;2.57,-39.35,;3.91,-40.11,;5.24,-39.32,;5.22,-37.78,;3.87,-37.03,;2.55,-37.81,;6.55,-37,;7.85,-36.2,;7.34,-38.32,;5.76,-35.67,;-3.9,-43.52,;-3.87,-45.06,;-5.25,-42.77,;-6.57,-43.57,;-6.65,-45.09,;-8.06,-45.38,;-9.36,-44.83,;-10.68,-44.01,;-9.3,-43.34,;-7.93,-42.93,;-9.03,-44.11,;-9.09,-45.7,;-9.16,-47.23,;-7.72,-46.32,;-10.61,-46.05,)| Show InChI InChI=1S/C24H33F3N4O3/c1-21(2,20(32)29-19-15-9-22(33)11-16(19)12-23(34,10-15)14-22)31-7-5-30(6-8-31)18-4-3-17(13-28-18)24(25,26)27/h3-4,13,15-16,19,33-34H,5-12,14H2,1-2H3,(H,29,32)/t15?,16?,19-,22-,23+	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	430	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