BDBM50445778 CHEMBL3104812

SMILES: Cc1nc(sc1C(=O)NCc1ccccc1)-c1nnc(Cc2ccccc2)[nH]1

InChI Key: InChIKey=HLLQDKNSAVHCAE-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50445778   

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
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50445778 (CHEMBL3104812) Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-c1nnc(Cc2ccccc2)[nH]1 Show InChI InChI=1S/C21H19N5OS/c1-14-18(20(27)22-13-16-10-6-3-7-11-16)28-21(23-14)19-24-17(25-26-19)12-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3,(H,22,27)(H,24,25,26)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in mouse liver microsomes				Bioorg Med Chem Lett 24: 520-5 (2014) Article DOI: 10.1016/j.bmcl.2013.12.036 BindingDB Entry DOI: 10.7270/Q2QJ7JRS
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase 1 (Homo sapiens (Human))	BDBM50445778 (CHEMBL3104812) Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-c1nnc(Cc2ccccc2)[nH]1 Show InChI InChI=1S/C21H19N5OS/c1-14-18(20(27)22-13-16-10-6-3-7-11-16)28-21(23-14)19-24-17(25-26-19)12-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3,(H,22,27)(H,24,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	236	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells using [1-14C]stearic acid as substrate				Bioorg Med Chem Lett 24: 520-5 (2014) Article DOI: 10.1016/j.bmcl.2013.12.036 BindingDB Entry DOI: 10.7270/Q2QJ7JRS
					More data for this Ligand-Target Pair