BDBM50297413 CHEMBL560537::N-(3,3-diphenyl-propyl)-nicotinamide::N-(3,3-diphenylpropyl)nicotinamide::N-(3,3-diphenylpropyl)pyridine-3-carboxamide

SMILES: O=C(NCCC(c1ccccc1)c1ccccc1)c1cccnc1

InChI Key: InChIKey=GDHXZIQAOUBZCC-UHFFFAOYSA-N

Data: 5 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50297413   

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))	BDBM50297413 (CHEMBL560537 | N-(3,3-diphenyl-propyl)-nicotinamid...) Show SMILES O=C(NCCC(c1ccccc1)c1ccccc1)c1cccnc1 Show InChI InChI=1S/C21H20N2O/c24-21(19-12-7-14-22-16-19)23-15-13-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-12,14,16,20H,13,15H2,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2C9				J Med Chem 52: 5880-95 (2009) Article DOI: 10.1021/jm9005302 BindingDB Entry DOI: 10.7270/Q2BG2P2G
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50297413 (CHEMBL560537 | N-(3,3-diphenyl-propyl)-nicotinamid...) Show SMILES O=C(NCCC(c1ccccc1)c1ccccc1)c1cccnc1 Show InChI InChI=1S/C21H20N2O/c24-21(19-12-7-14-22-16-19)23-15-13-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-12,14,16,20H,13,15H2,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2C19				J Med Chem 52: 5880-95 (2009) Article DOI: 10.1021/jm9005302 BindingDB Entry DOI: 10.7270/Q2BG2P2G
					More data for this Ligand-Target Pair
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50297413 (CHEMBL560537 | N-(3,3-diphenyl-propyl)-nicotinamid...) Show SMILES O=C(NCCC(c1ccccc1)c1ccccc1)c1cccnc1 Show InChI InChI=1S/C21H20N2O/c24-21(19-12-7-14-22-16-19)23-15-13-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-12,14,16,20H,13,15H2,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human soluble EH				Bioorg Med Chem Lett 19: 5864-8 (2009) Article DOI: 10.1016/j.bmcl.2009.08.074 BindingDB Entry DOI: 10.7270/Q27944SC
					More data for this Ligand-Target Pair				3D Structure (crystal)
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50297413 (CHEMBL560537 | N-(3,3-diphenyl-propyl)-nicotinamid...) Show SMILES O=C(NCCC(c1ccccc1)c1ccccc1)c1cccnc1 Show InChI InChI=1S/C21H20N2O/c24-21(19-12-7-14-22-16-19)23-15-13-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-12,14,16,20H,13,15H2,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of rhodamine-labeled probe from human soluble epoxide hydrolase by fluorescence polarization assay				J Med Chem 52: 5880-95 (2009) Article DOI: 10.1021/jm9005302 BindingDB Entry DOI: 10.7270/Q2BG2P2G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epoxide hydrolase 2 (Rattus norvegicus)	BDBM50297413 (CHEMBL560537 | N-(3,3-diphenyl-propyl)-nicotinamid...) Show SMILES O=C(NCCC(c1ccccc1)c1ccccc1)c1cccnc1 Show InChI InChI=1S/C21H20N2O/c24-21(19-12-7-14-22-16-19)23-15-13-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-12,14,16,20H,13,15H2,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of rhodamine-labeled probe from rat soluble epoxide hydrolase by fluorescence polarization assay				J Med Chem 52: 5880-95 (2009) Article DOI: 10.1021/jm9005302 BindingDB Entry DOI: 10.7270/Q2BG2P2G
					More data for this Ligand-Target Pair