BDBM50259175 CHEMBL444433::N-(3-(3,4-dichlorobenzyl)-4-oxo-3,4-dihydroquinazolin-6-yl)-2-hydroxyacetamide

SMILES: OCC(=O)Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1

InChI Key: InChIKey=ZZCPRLFJMWBCSV-UHFFFAOYSA-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 = 50259175   

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
Fatty acid desaturase 1 (Mus musculus)	BDBM50259175 (CHEMBL444433 | N-(3-(3,4-dichlorobenzyl)-4-oxo-3,4...) Show SMILES OCC(=O)Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1 Show InChI InChI=1S/C17H13Cl2N3O3/c18-13-3-1-10(5-14(13)19)7-22-9-20-15-4-2-11(21-16(24)8-23)6-12(15)17(22)25/h1-6,9,23H,7-8H2,(H,21,24)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc Curated by ChEMBL					Assay Description Inhibition of delta(5)-desaturase in mouse ABMC7 cells by high throughput radioassay				Bioorg Med Chem Lett 19: 3050-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.004 BindingDB Entry DOI: 10.7270/Q2W095TX
					More data for this Ligand-Target Pair
Fatty acid desaturase 2 (Mus musculus)	BDBM50259175 (CHEMBL444433 | N-(3-(3,4-dichlorobenzyl)-4-oxo-3,4...) Show SMILES OCC(=O)Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1 Show InChI InChI=1S/C17H13Cl2N3O3/c18-13-3-1-10(5-14(13)19)7-22-9-20-15-4-2-11(21-16(24)8-23)6-12(15)17(22)25/h1-6,9,23H,7-8H2,(H,21,24)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc Curated by ChEMBL					Assay Description Inhibition of delta(6)-desaturase in mouse ABMC7 cells by high throughput radioassay				Bioorg Med Chem Lett 19: 3050-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.004 BindingDB Entry DOI: 10.7270/Q2W095TX
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1) (Rattus norvegicus (Rat))	BDBM50259175 (CHEMBL444433 | N-(3-(3,4-dichlorobenzyl)-4-oxo-3,4...) Show SMILES OCC(=O)Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1 Show InChI InChI=1S/C17H13Cl2N3O3/c18-13-3-1-10(5-14(13)19)7-22-9-20-15-4-2-11(21-16(24)8-23)6-12(15)17(22)25/h1-6,9,23H,7-8H2,(H,21,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.61E+5	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
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1) (Rattus norvegicus (Rat))	BDBM50259175 (CHEMBL444433 | N-(3-(3,4-dichlorobenzyl)-4-oxo-3,4...) Show SMILES OCC(=O)Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1 Show InChI InChI=1S/C17H13Cl2N3O3/c18-13-3-1-10(5-14(13)19)7-22-9-20-15-4-2-11(21-16(24)8-23)6-12(15)17(22)25/h1-6,9,23H,7-8H2,(H,21,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	261	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of stearoyl-CoA delta9 desaturase in rat microsome				Bioorg Med Chem Lett 19: 4070-4 (2009) Article DOI: 10.1016/j.bmcl.2009.06.017 BindingDB Entry DOI: 10.7270/Q2959HN8
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase 1 (Homo sapiens (Human))	BDBM50259175 (CHEMBL444433 | N-(3-(3,4-dichlorobenzyl)-4-oxo-3,4...) Show SMILES OCC(=O)Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1 Show InChI InChI=1S/C17H13Cl2N3O3/c18-13-3-1-10(5-14(13)19)7-22-9-20-15-4-2-11(21-16(24)8-23)6-12(15)17(22)25/h1-6,9,23H,7-8H2,(H,21,24)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	119	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of stearoyl-CoA delta9 desaturase in human HepG2 cells				Bioorg Med Chem Lett 19: 4070-4 (2009) Article DOI: 10.1016/j.bmcl.2009.06.017 BindingDB Entry DOI: 10.7270/Q2959HN8
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1) (Rattus norvegicus (Rat))	BDBM50259175 (CHEMBL444433 | N-(3-(3,4-dichlorobenzyl)-4-oxo-3,4...) Show SMILES OCC(=O)Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1 Show InChI InChI=1S/C17H13Cl2N3O3/c18-13-3-1-10(5-14(13)19)7-22-9-20-15-4-2-11(21-16(24)8-23)6-12(15)17(22)25/h1-6,9,23H,7-8H2,(H,21,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	261	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc Curated by ChEMBL					Assay Description Inhibition of rat microsomal delta(9)-desaturase				Bioorg Med Chem Lett 19: 3050-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.004 BindingDB Entry DOI: 10.7270/Q2W095TX
					More data for this Ligand-Target Pair