BDBM50268384 CHEMBL522211::N-((trans)-2-phenylcyclopropyl)-3',4'-dihydrospiro[piperidine-4,2'-pyrano[3,2-b]pyridine]-1-carboxamide

SMILES: O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)CCc1ncccc1O2

InChI Key: InChIKey=NZZBOICLIUBLLK-MJGOQNOKSA-N

Data: 9 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 9 hits for monomerid = 50268384   

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
Calcium channel (Type L) (Homo sapiens (Human))	BDBM50268384 (CHEMBL522211 | N-((trans)-2-phenylcyclopropyl)-3',...) Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)CCc1ncccc1O2 |r| Show InChI InChI=1S/C22H25N3O2/c26-21(24-19-15-17(19)16-5-2-1-3-6-16)25-13-10-22(11-14-25)9-8-18-20(27-22)7-4-12-23-18/h1-7,12,17,19H,8-11,13-15H2,(H,24,26)/t17-,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Activity at Cav 1.2 channel				Bioorg Med Chem Lett 19: 3398-404 (2009) Article DOI: 10.1016/j.bmcl.2009.05.036 BindingDB Entry DOI: 10.7270/Q20C4VP7
					More data for this Ligand-Target Pair
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50268384 (CHEMBL522211 | N-((trans)-2-phenylcyclopropyl)-3',...) Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)CCc1ncccc1O2 |r| Show InChI InChI=1S/C22H25N3O2/c26-21(24-19-15-17(19)16-5-2-1-3-6-16)25-13-10-22(11-14-25)9-8-18-20(27-22)7-4-12-23-18/h1-7,12,17,19H,8-11,13-15H2,(H,24,26)/t17-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase				Bioorg Med Chem Lett 19: 3398-404 (2009) Article DOI: 10.1016/j.bmcl.2009.05.036 BindingDB Entry DOI: 10.7270/Q20C4VP7
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM50268384 (CHEMBL522211 | N-((trans)-2-phenylcyclopropyl)-3',...) Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)CCc1ncccc1O2 |r| Show InChI InChI=1S/C22H25N3O2/c26-21(24-19-15-17(19)16-5-2-1-3-6-16)25-13-10-22(11-14-25)9-8-18-20(27-22)7-4-12-23-18/h1-7,12,17,19H,8-11,13-15H2,(H,24,26)/t17-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Voltage-gated sodium channel subunit alpha Nav1.5				Bioorg Med Chem Lett 19: 3398-404 (2009) Article DOI: 10.1016/j.bmcl.2009.05.036 BindingDB Entry DOI: 10.7270/Q20C4VP7
					More data for this Ligand-Target Pair
Epoxide hydrolase 1 (Homo sapiens (Human))	BDBM50268384 (CHEMBL522211 | N-((trans)-2-phenylcyclopropyl)-3',...) Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)CCc1ncccc1O2 |r| Show InChI InChI=1S/C22H25N3O2/c26-21(24-19-15-17(19)16-5-2-1-3-6-16)25-13-10-22(11-14-25)9-8-18-20(27-22)7-4-12-23-18/h1-7,12,17,19H,8-11,13-15H2,(H,24,26)/t17-,19+/m1/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human microsomal epoxide hydrolase				Bioorg Med Chem Lett 19: 3398-404 (2009) Article DOI: 10.1016/j.bmcl.2009.05.036 BindingDB Entry DOI: 10.7270/Q20C4VP7
					More data for this Ligand-Target Pair
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50268384 (CHEMBL522211 | N-((trans)-2-phenylcyclopropyl)-3',...) Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)CCc1ncccc1O2 |r| Show InChI InChI=1S/C22H25N3O2/c26-21(24-19-15-17(19)16-5-2-1-3-6-16)25-13-10-22(11-14-25)9-8-18-20(27-22)7-4-12-23-18/h1-7,12,17,19H,8-11,13-15H2,(H,24,26)/t17-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase				Bioorg Med Chem Lett 19: 3398-404 (2009) Article DOI: 10.1016/j.bmcl.2009.05.036 BindingDB Entry DOI: 10.7270/Q20C4VP7
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50268384 (CHEMBL522211 | N-((trans)-2-phenylcyclopropyl)-3',...) Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)CCc1ncccc1O2 |r| Show InChI InChI=1S/C22H25N3O2/c26-21(24-19-15-17(19)16-5-2-1-3-6-16)25-13-10-22(11-14-25)9-8-18-20(27-22)7-4-12-23-18/h1-7,12,17,19H,8-11,13-15H2,(H,24,26)/t17-,19+/m1/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 19: 3398-404 (2009) Article DOI: 10.1016/j.bmcl.2009.05.036 BindingDB Entry DOI: 10.7270/Q20C4VP7
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50268384 (CHEMBL522211 | N-((trans)-2-phenylcyclopropyl)-3',...) Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)CCc1ncccc1O2 |r| Show InChI InChI=1S/C22H25N3O2/c26-21(24-19-15-17(19)16-5-2-1-3-6-16)25-13-10-22(11-14-25)9-8-18-20(27-22)7-4-12-23-18/h1-7,12,17,19H,8-11,13-15H2,(H,24,26)/t17-,19+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 19: 3398-404 (2009) Article DOI: 10.1016/j.bmcl.2009.05.036 BindingDB Entry DOI: 10.7270/Q20C4VP7
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50268384 (CHEMBL522211 | N-((trans)-2-phenylcyclopropyl)-3',...) Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)CCc1ncccc1O2 |r| Show InChI InChI=1S/C22H25N3O2/c26-21(24-19-15-17(19)16-5-2-1-3-6-16)25-13-10-22(11-14-25)9-8-18-20(27-22)7-4-12-23-18/h1-7,12,17,19H,8-11,13-15H2,(H,24,26)/t17-,19+/m1/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 19: 3398-404 (2009) Article DOI: 10.1016/j.bmcl.2009.05.036 BindingDB Entry DOI: 10.7270/Q20C4VP7
					More data for this Ligand-Target Pair
Epoxide hydrolase 2 (Rattus norvegicus)	BDBM50268384 (CHEMBL522211 | N-((trans)-2-phenylcyclopropyl)-3',...) Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)CCc1ncccc1O2 |r| Show InChI InChI=1S/C22H25N3O2/c26-21(24-19-15-17(19)16-5-2-1-3-6-16)25-13-10-22(11-14-25)9-8-18-20(27-22)7-4-12-23-18/h1-7,12,17,19H,8-11,13-15H2,(H,24,26)/t17-,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of rat soluble epoxide hydrolase				Bioorg Med Chem Lett 19: 3398-404 (2009) Article DOI: 10.1016/j.bmcl.2009.05.036 BindingDB Entry DOI: 10.7270/Q20C4VP7
					More data for this Ligand-Target Pair