null

SMILES: CC(C)c1ncc(COCCCCc2nnn[nH]2)n1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=AKFLHAHWVBKFNI-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50176193   

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
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50176193 (2-(4-(5-((4-(1H-tetrazol-5-yl)butoxy)methyl)-2-iso...) Show SMILES CC(C)c1ncc(COCCCCc2nnn[nH]2)n1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H24F6N6O2/c1-13(2)18-28-11-16(12-35-10-4-3-5-17-29-31-32-30-17)33(18)15-8-6-14(7-9-15)19(34,20(22,23)24)21(25,26)27/h6-9,11,13,34H,3-5,10,12H2,1-2H3,(H,29,30,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	116	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human recombinant MCD				Bioorg Med Chem 15: 4470-81 (2007) Article DOI: 10.1016/j.bmc.2007.04.025 BindingDB Entry DOI: 10.7270/Q2KH0N1C
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50176193 (2-(4-(5-((4-(1H-tetrazol-5-yl)butoxy)methyl)-2-iso...) Show SMILES CC(C)c1ncc(COCCCCc2nnn[nH]2)n1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H24F6N6O2/c1-13(2)18-28-11-16(12-35-10-4-3-5-17-29-31-32-30-17)33(18)15-8-6-14(7-9-15)19(34,20(22,23)24)21(25,26)27/h6-9,11,13,34H,3-5,10,12H2,1-2H3,(H,29,30,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.16E+5	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharma USA, LLC Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human MCD MBP fusion protein				Bioorg Med Chem Lett 16: 695-700 (2005) Article DOI: 10.1016/j.bmcl.2005.10.020 BindingDB Entry DOI: 10.7270/Q2445M11
					More data for this Ligand-Target Pair