BDBM50192798 CHEMBL219349::N-((1R,2S,5R,7S)-5-carbamoylmethyl-adamantan-2-yl)-2-(5-cyano-pyridin-2-yl)-isobutyramide

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

InChI Key: InChIKey=ZFKLYMBYKJMHMS-ADYSRPFESA-N

Data: 5 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 = 50192798   

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 (Mus musculus (mouse))	BDBM50192798 (CHEMBL219349 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-...) Show SMILES CC(C)(C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2)c1ccc(cn1)C#N |wU:9.19,6.5,wD:11.10,13.14,TLB:5:6:18.9.10:12,THB:8:9:12:19.7.6,8:7:18.9.10:12,(1.68,-44.14,;.36,-44.92,;-.98,-44.15,;-.99,-45.68,;-1,-47.22,;-2.31,-44.9,;-3.6,-45.75,;-3.61,-47.28,;-4.62,-48.55,;-6.03,-47.99,;-6.03,-46.4,;-4.99,-45.17,;-6.34,-45.65,;-6.33,-47.13,;-7.67,-46.35,;-9.01,-47.12,;-10.34,-46.34,;-9.01,-48.66,;-7.53,-48.41,;-5,-47.62,;1.67,-45.71,;1.65,-47.25,;2.97,-48.04,;4.31,-47.29,;4.33,-45.74,;3,-44.96,;5.64,-48.06,;6.96,-48.85,)| Show InChI InChI=1S/C22H28N4O2/c1-21(2,17-4-3-13(11-23)12-25-17)20(28)26-19-15-5-14-6-16(19)9-22(7-14,8-15)10-18(24)27/h3-4,12,14-16,19H,5-10H2,1-2H3,(H2,24,27)(H,26,28)/t14-,15-,16?,19+,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	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 Escherichia coli				Bioorg Med Chem Lett 16: 5414-9 (2006) Article DOI: 10.1016/j.bmcl.2006.07.055 BindingDB Entry DOI: 10.7270/Q28S4PJ0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50192798 (CHEMBL219349 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-...) Show SMILES CC(C)(C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2)c1ccc(cn1)C#N |wU:9.19,6.5,wD:11.10,13.14,TLB:5:6:18.9.10:12,THB:8:9:12:19.7.6,8:7:18.9.10:12,(1.68,-44.14,;.36,-44.92,;-.98,-44.15,;-.99,-45.68,;-1,-47.22,;-2.31,-44.9,;-3.6,-45.75,;-3.61,-47.28,;-4.62,-48.55,;-6.03,-47.99,;-6.03,-46.4,;-4.99,-45.17,;-6.34,-45.65,;-6.33,-47.13,;-7.67,-46.35,;-9.01,-47.12,;-10.34,-46.34,;-9.01,-48.66,;-7.53,-48.41,;-5,-47.62,;1.67,-45.71,;1.65,-47.25,;2.97,-48.04,;4.31,-47.29,;4.33,-45.74,;3,-44.96,;5.64,-48.06,;6.96,-48.85,)| Show InChI InChI=1S/C22H28N4O2/c1-21(2,17-4-3-13(11-23)12-25-17)20(28)26-19-15-5-14-6-16(19)9-22(7-14,8-15)10-18(24)27/h3-4,12,14-16,19H,5-10H2,1-2H3,(H2,24,27)(H,26,28)/t14-,15-,16?,19+,22+/m0/s1	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	165	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				Bioorg Med Chem Lett 16: 5414-9 (2006) Article DOI: 10.1016/j.bmcl.2006.07.055 BindingDB Entry DOI: 10.7270/Q28S4PJ0
					More data for this Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 2 (11-beta-HSD2) (Mus musculus (mouse))	BDBM50192798 (CHEMBL219349 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-...) Show SMILES CC(C)(C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2)c1ccc(cn1)C#N |wU:9.19,6.5,wD:11.10,13.14,TLB:5:6:18.9.10:12,THB:8:9:12:19.7.6,8:7:18.9.10:12,(1.68,-44.14,;.36,-44.92,;-.98,-44.15,;-.99,-45.68,;-1,-47.22,;-2.31,-44.9,;-3.6,-45.75,;-3.61,-47.28,;-4.62,-48.55,;-6.03,-47.99,;-6.03,-46.4,;-4.99,-45.17,;-6.34,-45.65,;-6.33,-47.13,;-7.67,-46.35,;-9.01,-47.12,;-10.34,-46.34,;-9.01,-48.66,;-7.53,-48.41,;-5,-47.62,;1.67,-45.71,;1.65,-47.25,;2.97,-48.04,;4.31,-47.29,;4.33,-45.74,;3,-44.96,;5.64,-48.06,;6.96,-48.85,)| Show InChI InChI=1S/C22H28N4O2/c1-21(2,17-4-3-13(11-23)12-25-17)20(28)26-19-15-5-14-6-16(19)9-22(7-14,8-15)10-18(24)27/h3-4,12,14-16,19H,5-10H2,1-2H3,(H2,24,27)(H,26,28)/t14-,15-,16?,19+,22+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD2				Bioorg Med Chem Lett 16: 5414-9 (2006) Article DOI: 10.1016/j.bmcl.2006.07.055 BindingDB Entry DOI: 10.7270/Q28S4PJ0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2 (Homo sapiens (Human))	BDBM50192798 (CHEMBL219349 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-...) Show SMILES CC(C)(C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2)c1ccc(cn1)C#N |wU:9.19,6.5,wD:11.10,13.14,TLB:5:6:18.9.10:12,THB:8:9:12:19.7.6,8:7:18.9.10:12,(1.68,-44.14,;.36,-44.92,;-.98,-44.15,;-.99,-45.68,;-1,-47.22,;-2.31,-44.9,;-3.6,-45.75,;-3.61,-47.28,;-4.62,-48.55,;-6.03,-47.99,;-6.03,-46.4,;-4.99,-45.17,;-6.34,-45.65,;-6.33,-47.13,;-7.67,-46.35,;-9.01,-47.12,;-10.34,-46.34,;-9.01,-48.66,;-7.53,-48.41,;-5,-47.62,;1.67,-45.71,;1.65,-47.25,;2.97,-48.04,;4.31,-47.29,;4.33,-45.74,;3,-44.96,;5.64,-48.06,;6.96,-48.85,)| Show InChI InChI=1S/C22H28N4O2/c1-21(2,17-4-3-13(11-23)12-25-17)20(28)26-19-15-5-14-6-16(19)9-22(7-14,8-15)10-18(24)27/h3-4,12,14-16,19H,5-10H2,1-2H3,(H2,24,27)(H,26,28)/t14-,15-,16?,19+,22+/m0/s1	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 Inhibition of human 11beta-HSD2				Bioorg Med Chem Lett 16: 5414-9 (2006) Article DOI: 10.1016/j.bmcl.2006.07.055 BindingDB Entry DOI: 10.7270/Q28S4PJ0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50192798 (CHEMBL219349 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-...) Show SMILES CC(C)(C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2)c1ccc(cn1)C#N |wU:9.19,6.5,wD:11.10,13.14,TLB:5:6:18.9.10:12,THB:8:9:12:19.7.6,8:7:18.9.10:12,(1.68,-44.14,;.36,-44.92,;-.98,-44.15,;-.99,-45.68,;-1,-47.22,;-2.31,-44.9,;-3.6,-45.75,;-3.61,-47.28,;-4.62,-48.55,;-6.03,-47.99,;-6.03,-46.4,;-4.99,-45.17,;-6.34,-45.65,;-6.33,-47.13,;-7.67,-46.35,;-9.01,-47.12,;-10.34,-46.34,;-9.01,-48.66,;-7.53,-48.41,;-5,-47.62,;1.67,-45.71,;1.65,-47.25,;2.97,-48.04,;4.31,-47.29,;4.33,-45.74,;3,-44.96,;5.64,-48.06,;6.96,-48.85,)| Show InChI InChI=1S/C22H28N4O2/c1-21(2,17-4-3-13(11-23)12-25-17)20(28)26-19-15-5-14-6-16(19)9-22(7-14,8-15)10-18(24)27/h3-4,12,14-16,19H,5-10H2,1-2H3,(H2,24,27)(H,26,28)/t14-,15-,16?,19+,22+/m0/s1	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	14	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 Escherichia coli				Bioorg Med Chem Lett 16: 5414-9 (2006) Article DOI: 10.1016/j.bmcl.2006.07.055 BindingDB Entry DOI: 10.7270/Q28S4PJ0
					More data for this Ligand-Target Pair