SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 458.4
BDBM50330381

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 9 hits in this display
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50330381 (5-Fluoro-1'-{6-[5-(pyridin-3-ylmethyl)-1,3,4-oxadi...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of SCD1 in HEK293A cell microsomes assessed as reduction in conversion of [14C]stearic acid to [14C]oleic acid after 30 mins				Eur J Med Chem 45: 4788-96 (2010) Article DOI: 10.1016/j.ejmech.2010.07.044 BindingDB Entry DOI: 10.7270/Q2CZ37CN
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50330381 (5-Fluoro-1'-{6-[5-(pyridin-3-ylmethyl)-1,3,4-oxadi...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human SCD1 expressed in HEK293A cells assessed as reduction in conversion of [14C]stearic acid to [14C]oleic acid after 30 mins				Eur J Med Chem 45: 4788-96 (2010) Article DOI: 10.1016/j.ejmech.2010.07.044 BindingDB Entry DOI: 10.7270/Q2CZ37CN
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50330381 (5-Fluoro-1'-{6-[5-(pyridin-3-ylmethyl)-1,3,4-oxadi...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of SCD1 in mouse microsome assessed as reduction in conversion of [14C]stearic acid to [14C]oleic acid after 30 mins				Eur J Med Chem 45: 4788-96 (2010) Article DOI: 10.1016/j.ejmech.2010.07.044 BindingDB Entry DOI: 10.7270/Q2CZ37CN
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50330381 (5-Fluoro-1'-{6-[5-(pyridin-3-ylmethyl)-1,3,4-oxadi...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Eur J Med Chem 45: 4788-96 (2010) Article DOI: 10.1016/j.ejmech.2010.07.044 BindingDB Entry DOI: 10.7270/Q2CZ37CN
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50330381 (5-Fluoro-1'-{6-[5-(pyridin-3-ylmethyl)-1,3,4-oxadi...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of rat SCD1 by rat microsomal assay				Bioorg Med Chem Lett 23: 791-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.075 BindingDB Entry DOI: 10.7270/Q26H4JQ6
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50330381 (5-Fluoro-1'-{6-[5-(pyridin-3-ylmethyl)-1,3,4-oxadi...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Eur J Med Chem 45: 4788-96 (2010) Article DOI: 10.1016/j.ejmech.2010.07.044 BindingDB Entry DOI: 10.7270/Q2CZ37CN
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50330381 (5-Fluoro-1'-{6-[5-(pyridin-3-ylmethyl)-1,3,4-oxadi...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2C19				Eur J Med Chem 45: 4788-96 (2010) Article DOI: 10.1016/j.ejmech.2010.07.044 BindingDB Entry DOI: 10.7270/Q2CZ37CN
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50330381 (5-Fluoro-1'-{6-[5-(pyridin-3-ylmethyl)-1,3,4-oxadi...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP1A2				Eur J Med Chem 45: 4788-96 (2010) Article DOI: 10.1016/j.ejmech.2010.07.044 BindingDB Entry DOI: 10.7270/Q2CZ37CN
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50330381 (5-Fluoro-1'-{6-[5-(pyridin-3-ylmethyl)-1,3,4-oxadi...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Eur J Med Chem 45: 4788-96 (2010) Article DOI: 10.1016/j.ejmech.2010.07.044 BindingDB Entry DOI: 10.7270/Q2CZ37CN
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair