BDBM50116708 CHEMBL2263368

SMILES: Nc1ccccc1C(=O)Nc1cccc(Cl)c1

InChI Key: InChIKey=PODFNAVRZPMCEM-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 = 50116708   

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 (Homo sapiens (Human))	BDBM50116708 (CHEMBL2263368) Show SMILES Nc1ccccc1C(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C13H11ClN2O/c14-9-4-3-5-10(8-9)16-13(17)11-6-1-2-7-12(11)15/h1-8H,15H2,(H,16,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Lexicon Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of liver delta-5 desaturase (unknown origin)				Bioorg Med Chem Lett 25: 3836-9 (2015) BindingDB Entry DOI: 10.7270/Q2MP552Z
					More data for this Ligand-Target Pair
Fatty acid desaturase 1 (Rattus norvegicus)	BDBM50116708 (CHEMBL2263368) Show SMILES Nc1ccccc1C(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C13H11ClN2O/c14-9-4-3-5-10(8-9)16-13(17)11-6-1-2-7-12(11)15/h1-8H,15H2,(H,16,17)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibition of D5D in Sprague-Dawley rat liver microsomes using [14C]DGLA as substrate preincubated for 5 mins measured after 120 mins				ACS Med Chem Lett 7: 868-72 (2016) Article DOI: 10.1021/acsmedchemlett.6b00241
					More data for this Ligand-Target Pair
Fatty acid desaturase 1 (Homo sapiens (Human))	BDBM50116708 (CHEMBL2263368) Show SMILES Nc1ccccc1C(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C13H11ClN2O/c14-9-4-3-5-10(8-9)16-13(17)11-6-1-2-7-12(11)15/h1-8H,15H2,(H,16,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibition of D5D in human HepG2 cells using [14C]DGLA as substrate preincubated for 30 mins followed by substrate addition measured after 3 hrs				ACS Med Chem Lett 7: 868-72 (2016) Article DOI: 10.1021/acsmedchemlett.6b00241
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1) (Rattus norvegicus (Rat))	BDBM50116708 (CHEMBL2263368) Show SMILES Nc1ccccc1C(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C13H11ClN2O/c14-9-4-3-5-10(8-9)16-13(17)11-6-1-2-7-12(11)15/h1-8H,15H2,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibition of SCD in Sprague-Dawley rat liver microsomes using [14C]stearoyl-CoA as substrate preincubated for 5 mins measured after 30 mins				ACS Med Chem Lett 7: 868-72 (2016) Article DOI: 10.1021/acsmedchemlett.6b00241
					More data for this Ligand-Target Pair
Fatty acid desaturase 1 (Rattus norvegicus)	BDBM50116708 (CHEMBL2263368) Show SMILES Nc1ccccc1C(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C13H11ClN2O/c14-9-4-3-5-10(8-9)16-13(17)11-6-1-2-7-12(11)15/h1-8H,15H2,(H,16,17)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibition of D5D in rat RLN10 cells using [14C]DGLA as substrate preincubated for 30 mins followed by substrate addition measured after 3 hrs				ACS Med Chem Lett 7: 868-72 (2016) Article DOI: 10.1021/acsmedchemlett.6b00241
					More data for this Ligand-Target Pair
Fatty acid desaturase 2 (Rattus norvegicus)	BDBM50116708 (CHEMBL2263368) Show SMILES Nc1ccccc1C(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C13H11ClN2O/c14-9-4-3-5-10(8-9)16-13(17)11-6-1-2-7-12(11)15/h1-8H,15H2,(H,16,17)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibition of D6D in Sprague-Dawley rat liver microsomes using [14C]LA as substrate preincubated for 5 mins measured after 30 mins				ACS Med Chem Lett 7: 868-72 (2016) Article DOI: 10.1021/acsmedchemlett.6b00241
					More data for this Ligand-Target Pair