BDBM50356906 CHEMBL1915555

SMILES: OC(=O)Cn1nnc(n1)-c1cncc(c1)-c1cn(Cc2cc(Br)c(Br)c(Br)c2)nn1

InChI Key: InChIKey=KFLRCBGJPSBTOG-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50356906   

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
Stearoyl-CoA desaturase 1 (SCD1) (Rattus norvegicus (Rat))	BDBM50356906 (CHEMBL1915555) Show SMILES OC(=O)Cn1nnc(n1)-c1cncc(c1)-c1cn(Cc2cc(Br)c(Br)c(Br)c2)nn1 Show InChI InChI=1S/C17H11Br3N8O2/c18-12-1-9(2-13(19)16(12)20)6-27-7-14(22-25-27)10-3-11(5-21-4-10)17-23-26-28(24-17)8-15(29)30/h1-5,7H,6,8H2,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	56	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 SCD by rat microsomal assay				Bioorg Med Chem Lett 21: 6505-9 (2011) Article DOI: 10.1016/j.bmcl.2011.08.073 BindingDB Entry DOI: 10.7270/Q2VQ332W
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase 1 (Homo sapiens (Human))	BDBM50356906 (CHEMBL1915555) Show SMILES OC(=O)Cn1nnc(n1)-c1cncc(c1)-c1cn(Cc2cc(Br)c(Br)c(Br)c2)nn1 Show InChI InChI=1S/C17H11Br3N8O2/c18-12-1-9(2-13(19)16(12)20)6-27-7-14(22-25-27)10-3-11(5-21-4-10)17-23-26-28(24-17)8-15(29)30/h1-5,7H,6,8H2,(H,29,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	6.31E+3	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 SCD in human HepG2 cells assessed as conversion of [1-(14)C]-stearic acid to (14)C-oleic acid				Bioorg Med Chem Lett 21: 6505-9 (2011) Article DOI: 10.1016/j.bmcl.2011.08.073 BindingDB Entry DOI: 10.7270/Q2VQ332W
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1) (Rattus norvegicus (Rat))	BDBM50356906 (CHEMBL1915555) Show SMILES OC(=O)Cn1nnc(n1)-c1cncc(c1)-c1cn(Cc2cc(Br)c(Br)c(Br)c2)nn1 Show InChI InChI=1S/C17H11Br3N8O2/c18-12-1-9(2-13(19)16(12)20)6-27-7-14(22-25-27)10-3-11(5-21-4-10)17-23-26-28(24-17)8-15(29)30/h1-5,7H,6,8H2,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	694	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 SCD in rat hepatocytes assessed as conversion of [14C]-stearic acid to [14C]-oleic acid preincubated for 15 mins measured after 1 hrs b...				Bioorg Med Chem Lett 21: 6505-9 (2011) Article DOI: 10.1016/j.bmcl.2011.08.073 BindingDB Entry DOI: 10.7270/Q2VQ332W
					More data for this Ligand-Target Pair