Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 482.3 BDBM50354674

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

Found 3 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	koff s-1	kon M-1s-1	pH	Temp °C
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50354674 (CHEMBL1834457) Show SMILES OC(=O)CNc1nc2cnc(nc2s1)N1CCC(CC1)Oc1cc(F)ccc1Br Show InChI InChI=1S/C18H17BrFN5O3S/c19-12-2-1-10(20)7-14(12)28-11-3-5-25(6-4-11)17-21-8-13-16(24-17)29-18(23-13)22-9-15(26)27/h1-2,7-8,11H,3-6,9H2,(H,22,23)(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of rat SCD1 in rat liver microsome				Bioorg Med Chem Lett 21: 5692-6 (2011) Article DOI: 10.1016/j.bmcl.2011.08.037 BindingDB Entry DOI: 10.7270/Q2W959K1
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50354674 (CHEMBL1834457) Show SMILES OC(=O)CNc1nc2cnc(nc2s1)N1CCC(CC1)Oc1cc(F)ccc1Br Show InChI InChI=1S/C18H17BrFN5O3S/c19-12-2-1-10(20)7-14(12)28-11-3-5-25(6-4-11)17-21-8-13-16(24-17)29-18(23-13)22-9-15(26)27/h1-2,7-8,11H,3-6,9H2,(H,22,23)(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD1 in rat Hep cells				Bioorg Med Chem Lett 21: 5692-6 (2011) Article DOI: 10.1016/j.bmcl.2011.08.037 BindingDB Entry DOI: 10.7270/Q2W959K1
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50354674 (CHEMBL1834457) Show SMILES OC(=O)CNc1nc2cnc(nc2s1)N1CCC(CC1)Oc1cc(F)ccc1Br Show InChI InChI=1S/C18H17BrFN5O3S/c19-12-2-1-10(20)7-14(12)28-11-3-5-25(6-4-11)17-21-8-13-16(24-17)29-18(23-13)22-9-15(26)27/h1-2,7-8,11H,3-6,9H2,(H,22,23)(H,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	168	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells				Bioorg Med Chem Lett 21: 5692-6 (2011) Article DOI: 10.1016/j.bmcl.2011.08.037 BindingDB Entry DOI: 10.7270/Q2W959K1
					More data for this Ligand-Target Pair