BDBM50202091 CHEMBL384364::N-adamantan-2-yl-2-[4-(3-cyano-pyridin-2-yl)-piperazin-1-yl]-acetamide

SMILES: O=C(CN1CCN(CC1)c1ncccc1C#N)NC1C2CC3CC(C2)CC1C3

InChI Key: InChIKey=LTTIAASWMSZBDG-UHFFFAOYSA-N

Data: 2 KI  3 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 5 hits for monomerid = 50202091   

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))	BDBM50202091 (CHEMBL384364 | N-adamantan-2-yl-2-[4-(3-cyano-pyri...) Show SMILES O=C(CN1CCN(CC1)c1ncccc1C#N)NC1C2CC3CC(C2)CC1C3 |TLB:24:23:27:20.19.18,24:19:22.23.25:27,THB:18:19:22:25.26.27,18:26:22:20.24.19,17:18:22.23.25:27,(-3.45,-1.05,;-3.53,.49,;-2.23,1.33,;-.86,.63,;-.83,-.92,;.51,-1.66,;1.83,-.87,;1.8,.67,;.45,1.42,;3.15,-1.66,;4.49,-.92,;5.8,-1.7,;5.78,-3.25,;4.43,-4,;3.11,-3.2,;1.76,-3.94,;.42,-4.69,;-4.9,1.19,;-6.19,.36,;-6.22,-1.17,;-7.62,-1.5,;-8.94,-.99,;-10.15,-2.26,;-8.65,-1.85,;-7.25,-2.43,;-8.63,-.27,;-7.58,.95,;-8.93,.49,)| Show InChI InChI=1S/C22H29N5O/c23-13-17-2-1-3-24-22(17)27-6-4-26(5-7-27)14-20(28)25-21-18-9-15-8-16(11-18)12-19(21)10-15/h1-3,15-16,18-19,21H,4-12,14H2,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	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))	BDBM50202091 (CHEMBL384364 | N-adamantan-2-yl-2-[4-(3-cyano-pyri...) Show SMILES O=C(CN1CCN(CC1)c1ncccc1C#N)NC1C2CC3CC(C2)CC1C3 |TLB:24:23:27:20.19.18,24:19:22.23.25:27,THB:18:19:22:25.26.27,18:26:22:20.24.19,17:18:22.23.25:27,(-3.45,-1.05,;-3.53,.49,;-2.23,1.33,;-.86,.63,;-.83,-.92,;.51,-1.66,;1.83,-.87,;1.8,.67,;.45,1.42,;3.15,-1.66,;4.49,-.92,;5.8,-1.7,;5.78,-3.25,;4.43,-4,;3.11,-3.2,;1.76,-3.94,;.42,-4.69,;-4.9,1.19,;-6.19,.36,;-6.22,-1.17,;-7.62,-1.5,;-8.94,-.99,;-10.15,-2.26,;-8.65,-1.85,;-7.25,-2.43,;-8.63,-.27,;-7.58,.95,;-8.93,.49,)| Show InChI InChI=1S/C22H29N5O/c23-13-17-2-1-3-24-22(17)27-6-4-26(5-7-27)14-20(28)25-21-18-9-15-8-16(11-18)12-19(21)10-15/h1-3,15-16,18-19,21H,4-12,14H2,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53	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 2 (Homo sapiens (Human))	BDBM50202091 (CHEMBL384364 | N-adamantan-2-yl-2-[4-(3-cyano-pyri...) Show SMILES O=C(CN1CCN(CC1)c1ncccc1C#N)NC1C2CC3CC(C2)CC1C3 |TLB:24:23:27:20.19.18,24:19:22.23.25:27,THB:18:19:22:25.26.27,18:26:22:20.24.19,17:18:22.23.25:27,(-3.45,-1.05,;-3.53,.49,;-2.23,1.33,;-.86,.63,;-.83,-.92,;.51,-1.66,;1.83,-.87,;1.8,.67,;.45,1.42,;3.15,-1.66,;4.49,-.92,;5.8,-1.7,;5.78,-3.25,;4.43,-4,;3.11,-3.2,;1.76,-3.94,;.42,-4.69,;-4.9,1.19,;-6.19,.36,;-6.22,-1.17,;-7.62,-1.5,;-8.94,-.99,;-10.15,-2.26,;-8.65,-1.85,;-7.25,-2.43,;-8.63,-.27,;-7.58,.95,;-8.93,.49,)| Show InChI InChI=1S/C22H29N5O/c23-13-17-2-1-3-24-22(17)27-6-4-26(5-7-27)14-20(28)25-21-18-9-15-8-16(11-18)12-19(21)10-15/h1-3,15-16,18-19,21H,4-12,14H2,(H,25,28)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human 11beta-HSD2 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 2 (11-beta-HSD2) (Mus musculus (mouse))	BDBM50202091 (CHEMBL384364 | N-adamantan-2-yl-2-[4-(3-cyano-pyri...) Show SMILES O=C(CN1CCN(CC1)c1ncccc1C#N)NC1C2CC3CC(C2)CC1C3 |TLB:24:23:27:20.19.18,24:19:22.23.25:27,THB:18:19:22:25.26.27,18:26:22:20.24.19,17:18:22.23.25:27,(-3.45,-1.05,;-3.53,.49,;-2.23,1.33,;-.86,.63,;-.83,-.92,;.51,-1.66,;1.83,-.87,;1.8,.67,;.45,1.42,;3.15,-1.66,;4.49,-.92,;5.8,-1.7,;5.78,-3.25,;4.43,-4,;3.11,-3.2,;1.76,-3.94,;.42,-4.69,;-4.9,1.19,;-6.19,.36,;-6.22,-1.17,;-7.62,-1.5,;-8.94,-.99,;-10.15,-2.26,;-8.65,-1.85,;-7.25,-2.43,;-8.63,-.27,;-7.58,.95,;-8.93,.49,)| Show InChI InChI=1S/C22H29N5O/c23-13-17-2-1-3-24-22(17)27-6-4-26(5-7-27)14-20(28)25-21-18-9-15-8-16(11-18)12-19(21)10-15/h1-3,15-16,18-19,21H,4-12,14H2,(H,25,28)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against mouse 11beta-HSD2 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))	BDBM50202091 (CHEMBL384364 | N-adamantan-2-yl-2-[4-(3-cyano-pyri...) Show SMILES O=C(CN1CCN(CC1)c1ncccc1C#N)NC1C2CC3CC(C2)CC1C3 |TLB:24:23:27:20.19.18,24:19:22.23.25:27,THB:18:19:22:25.26.27,18:26:22:20.24.19,17:18:22.23.25:27,(-3.45,-1.05,;-3.53,.49,;-2.23,1.33,;-.86,.63,;-.83,-.92,;.51,-1.66,;1.83,-.87,;1.8,.67,;.45,1.42,;3.15,-1.66,;4.49,-.92,;5.8,-1.7,;5.78,-3.25,;4.43,-4,;3.11,-3.2,;1.76,-3.94,;.42,-4.69,;-4.9,1.19,;-6.19,.36,;-6.22,-1.17,;-7.62,-1.5,;-8.94,-.99,;-10.15,-2.26,;-8.65,-1.85,;-7.25,-2.43,;-8.63,-.27,;-7.58,.95,;-8.93,.49,)| Show InChI InChI=1S/C22H29N5O/c23-13-17-2-1-3-24-22(17)27-6-4-26(5-7-27)14-20(28)25-21-18-9-15-8-16(11-18)12-19(21)10-15/h1-3,15-16,18-19,21H,4-12,14H2,(H,25,28)	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	260	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