BDBM50442838 CHEMBL2441208

SMILES: FC(F)(F)c1nc(oc1C(=O)Nc1ccc(nc1)N1CCN(CC1)C(=O)Nc1ccccc1Cl)N1CCCCC1

InChI Key: InChIKey=ZENSLLXCLNJAMF-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50442838   

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
Diacylglycerol O-acyltransferase 1 (DGAT1) (Homo sapiens (Human))	BDBM50442838 (CHEMBL2441208) Show SMILES FC(F)(F)c1nc(oc1C(=O)Nc1ccc(nc1)N1CCN(CC1)C(=O)Nc1ccccc1Cl)N1CCCCC1 Show InChI InChI=1S/C26H27ClF3N7O3/c27-18-6-2-3-7-19(18)33-24(39)36-14-12-35(13-15-36)20-9-8-17(16-31-20)32-23(38)21-22(26(28,29)30)34-25(40-21)37-10-4-1-5-11-37/h2-3,6-9,16H,1,4-5,10-15H2,(H,32,38)(H,33,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human DGAT-1 expressed in insect Sf9 cell microsomes using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-CoA as substrate after 2 hrs				Bioorg Med Chem Lett 23: 6410-4 (2013) Article DOI: 10.1016/j.bmcl.2013.09.048 BindingDB Entry DOI: 10.7270/Q26M3895
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50442838 (CHEMBL2441208) Show SMILES FC(F)(F)c1nc(oc1C(=O)Nc1ccc(nc1)N1CCN(CC1)C(=O)Nc1ccccc1Cl)N1CCCCC1 Show InChI InChI=1S/C26H27ClF3N7O3/c27-18-6-2-3-7-19(18)33-24(39)36-14-12-35(13-15-36)20-9-8-17(16-31-20)32-23(38)21-22(26(28,29)30)34-25(40-21)37-10-4-1-5-11-37/h2-3,6-9,16H,1,4-5,10-15H2,(H,32,38)(H,33,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin) coincubated with substrate				Bioorg Med Chem Lett 23: 6410-4 (2013) Article DOI: 10.1016/j.bmcl.2013.09.048 BindingDB Entry DOI: 10.7270/Q26M3895
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Mus musculus (mouse))	BDBM50442838 (CHEMBL2441208) Show SMILES FC(F)(F)c1nc(oc1C(=O)Nc1ccc(nc1)N1CCN(CC1)C(=O)Nc1ccccc1Cl)N1CCCCC1 Show InChI InChI=1S/C26H27ClF3N7O3/c27-18-6-2-3-7-19(18)33-24(39)36-14-12-35(13-15-36)20-9-8-17(16-31-20)32-23(38)21-22(26(28,29)30)34-25(40-21)37-10-4-1-5-11-37/h2-3,6-9,16H,1,4-5,10-15H2,(H,32,38)(H,33,39)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mouse DGAT-1				Bioorg Med Chem Lett 23: 6410-4 (2013) Article DOI: 10.1016/j.bmcl.2013.09.048 BindingDB Entry DOI: 10.7270/Q26M3895
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50442838 (CHEMBL2441208) Show SMILES FC(F)(F)c1nc(oc1C(=O)Nc1ccc(nc1)N1CCN(CC1)C(=O)Nc1ccccc1Cl)N1CCCCC1 Show InChI InChI=1S/C26H27ClF3N7O3/c27-18-6-2-3-7-19(18)33-24(39)36-14-12-35(13-15-36)20-9-8-17(16-31-20)32-23(38)21-22(26(28,29)30)34-25(40-21)37-10-4-1-5-11-37/h2-3,6-9,16H,1,4-5,10-15H2,(H,32,38)(H,33,39)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin) preincubated prior to substrate addition				Bioorg Med Chem Lett 23: 6410-4 (2013) Article DOI: 10.1016/j.bmcl.2013.09.048 BindingDB Entry DOI: 10.7270/Q26M3895
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50442838 (CHEMBL2441208) Show SMILES FC(F)(F)c1nc(oc1C(=O)Nc1ccc(nc1)N1CCN(CC1)C(=O)Nc1ccccc1Cl)N1CCCCC1 Show InChI InChI=1S/C26H27ClF3N7O3/c27-18-6-2-3-7-19(18)33-24(39)36-14-12-35(13-15-36)20-9-8-17(16-31-20)32-23(38)21-22(26(28,29)30)34-25(40-21)37-10-4-1-5-11-37/h2-3,6-9,16H,1,4-5,10-15H2,(H,32,38)(H,33,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin) preincubated prior to substrate addition				Bioorg Med Chem Lett 23: 6410-4 (2013) Article DOI: 10.1016/j.bmcl.2013.09.048 BindingDB Entry DOI: 10.7270/Q26M3895
					More data for this Ligand-Target Pair