BDBM50000098 CHEMBL3228347

SMILES: OC(=O)\C=C\C(O)=O.[O-][S+]1CCN2CCN=C2C1

InChI Key: InChIKey=ACGUSGDQQFCTMW-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 = 50000098   

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))	BDBM50000098 (CHEMBL3228347) Show SMILES OC(=O)\C=C\C(O)=O.[O-][S+]1CCN2CCN=C2C1 |c:14| Show InChI InChI=1S/C6H10N2OS.C4H4O4/c9-10-4-3-8-2-1-7-6(8)5-10;5-3(6)1-2-4(7)8/h1-5H2;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	1.88E+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)	BDBM50000098 (CHEMBL3228347) Show SMILES OC(=O)\C=C\C(O)=O.[O-][S+]1CCN2CCN=C2C1 |c:14| Show InChI InChI=1S/C6H10N2OS.C4H4O4/c9-10-4-3-8-2-1-7-6(8)5-10;5-3(6)1-2-4(7)8/h1-5H2;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	3.60E+3	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