BDBM50000110 CHEMBL3228348

SMILES: OC(=O)\C=C\C(O)=O.C1CN2C=CSCC2=N1

InChI Key: InChIKey=FBAHCSFYZLHWBE-WLHGVMLRSA-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 = 50000110   

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
Indolethylamine N-methyltransferase (Homo sapiens (Human))	BDBM50000110 (CHEMBL3228348) Show SMILES OC(=O)\C=C\C(O)=O.C1CN2C=CSCC2=N1 |c:10,15| Show InChI InChI=1S/C6H8N2S.C4H4O4/c1-2-8-3-4-9-5-6(8)7-1;5-3(6)1-2-4(7)8/h3-4H,1-2,5H2;1-2H,(H,5,6)(H,7,8)/b;2-1+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human lung INMT using N-methyltryptamine as substrate after 60 to 90 mins by liquid scintillation counting in presence of S-methyl-[14C...				J Med Chem 22: 237-47 (1979) BindingDB Entry DOI: 10.7270/Q28S4RFG
					More data for this Ligand-Target Pair
Indolethylamine N-methyltransferase (Oryctolagus cuniculus)	BDBM50000110 (CHEMBL3228348) Show SMILES OC(=O)\C=C\C(O)=O.C1CN2C=CSCC2=N1 |c:10,15| Show InChI InChI=1S/C6H8N2S.C4H4O4/c1-2-8-3-4-9-5-6(8)7-1;5-3(6)1-2-4(7)8/h3-4H,1-2,5H2;1-2H,(H,5,6)(H,7,8)/b;2-1+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of New Zealand white rabbit lung INMT using N-methyltryptamine as substrate after 60 to 90 mins by liquid scintillation counting in presen...				J Med Chem 22: 237-47 (1979) BindingDB Entry DOI: 10.7270/Q28S4RFG
					More data for this Ligand-Target Pair