BDBM50268436 (+/-)-6-(methylsulfonyl)-4-oxo-N-((trans)-2-phenylcyclopropyl)spiro[chroman-2,4'-piperidine]-1'-carboxamide::CHEMBL495794

SMILES: CS(=O)(=O)c1ccc2OC3(CCN(CC3)C(=O)N[C@H]3C[C@@H]3c3ccccc3)CC(=O)c2c1

InChI Key: InChIKey=WHHQPBQWWSSETM-QUCCMNQESA-N

Data: 6 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 6 hits for monomerid = 50268436   

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
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50268436 ((+/-)-6-(methylsulfonyl)-4-oxo-N-((trans)-2-phenyl...) Show SMILES CS(=O)(=O)c1ccc2OC3(CCN(CC3)C(=O)N[C@H]3C[C@@H]3c3ccccc3)CC(=O)c2c1 |r| Show InChI InChI=1S/C24H26N2O5S/c1-32(29,30)17-7-8-22-19(13-17)21(27)15-24(31-22)9-11-26(12-10-24)23(28)25-20-14-18(20)16-5-3-2-4-6-16/h2-8,13,18,20H,9-12,14-15H2,1H3,(H,25,28)/t18-,20+/m1/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank 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))	BDBM50268436 ((+/-)-6-(methylsulfonyl)-4-oxo-N-((trans)-2-phenyl...) Show SMILES CS(=O)(=O)c1ccc2OC3(CCN(CC3)C(=O)N[C@H]3C[C@@H]3c3ccccc3)CC(=O)c2c1 |r| Show InChI InChI=1S/C24H26N2O5S/c1-32(29,30)17-7-8-22-19(13-17)21(27)15-24(31-22)9-11-26(12-10-24)23(28)25-20-14-18(20)16-5-3-2-4-6-16/h2-8,13,18,20H,9-12,14-15H2,1H3,(H,25,28)/t18-,20+/m1/s1	PDB 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
Epoxide hydrolase 2 (Rattus norvegicus)	BDBM50268436 ((+/-)-6-(methylsulfonyl)-4-oxo-N-((trans)-2-phenyl...) Show SMILES CS(=O)(=O)c1ccc2OC3(CCN(CC3)C(=O)N[C@H]3C[C@@H]3c3ccccc3)CC(=O)c2c1 |r| Show InChI InChI=1S/C24H26N2O5S/c1-32(29,30)17-7-8-22-19(13-17)21(27)15-24(31-22)9-11-26(12-10-24)23(28)25-20-14-18(20)16-5-3-2-4-6-16/h2-8,13,18,20H,9-12,14-15H2,1H3,(H,25,28)/t18-,20+/m1/s1	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	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
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM50268436 ((+/-)-6-(methylsulfonyl)-4-oxo-N-((trans)-2-phenyl...) Show SMILES CS(=O)(=O)c1ccc2OC3(CCN(CC3)C(=O)N[C@H]3C[C@@H]3c3ccccc3)CC(=O)c2c1 |r| Show InChI InChI=1S/C24H26N2O5S/c1-32(29,30)17-7-8-22-19(13-17)21(27)15-24(31-22)9-11-26(12-10-24)23(28)25-20-14-18(20)16-5-3-2-4-6-16/h2-8,13,18,20H,9-12,14-15H2,1H3,(H,25,28)/t18-,20+/m1/s1	PDB KEGG B.MOAD DrugBank 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
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50268436 ((+/-)-6-(methylsulfonyl)-4-oxo-N-((trans)-2-phenyl...) Show SMILES CS(=O)(=O)c1ccc2OC3(CCN(CC3)C(=O)N[C@H]3C[C@@H]3c3ccccc3)CC(=O)c2c1 |r| Show InChI InChI=1S/C24H26N2O5S/c1-32(29,30)17-7-8-22-19(13-17)21(27)15-24(31-22)9-11-26(12-10-24)23(28)25-20-14-18(20)16-5-3-2-4-6-16/h2-8,13,18,20H,9-12,14-15H2,1H3,(H,25,28)/t18-,20+/m1/s1	PDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	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 3A4 (Homo sapiens (Human))	BDBM50268436 ((+/-)-6-(methylsulfonyl)-4-oxo-N-((trans)-2-phenyl...) Show SMILES CS(=O)(=O)c1ccc2OC3(CCN(CC3)C(=O)N[C@H]3C[C@@H]3c3ccccc3)CC(=O)c2c1 |r| Show InChI InChI=1S/C24H26N2O5S/c1-32(29,30)17-7-8-22-19(13-17)21(27)15-24(31-22)9-11-26(12-10-24)23(28)25-20-14-18(20)16-5-3-2-4-6-16/h2-8,13,18,20H,9-12,14-15H2,1H3,(H,25,28)/t18-,20+/m1/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank 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