BDBM50058803 CHEMBL2409542

SMILES: C\C(=N/Nc1nc(cs1)-c1ccccc1)c1ccccn1

InChI Key: InChIKey=YNPDCRSCSRUBQT-XDHOZWIPSA-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 = 50058803   

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
Cruzipain (Trypanosoma cruzi)	BDBM50058803 (CHEMBL2409542) Show SMILES C\C(=N/Nc1nc(cs1)-c1ccccc1)c1ccccn1 Show InChI InChI=1S/C16H14N4S/c1-12(14-9-5-6-10-17-14)19-20-16-18-15(11-21-16)13-7-3-2-4-8-13/h2-11H,1H3,(H,18,20)/b19-12+	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain using Z-Phe-Argaminomethylcoumarin as fluorogenic substrate preincubated for 10 mins before subst...				Eur J Med Chem 86: 48-59 (2014) Article DOI: 10.1016/j.ejmech.2014.08.012 BindingDB Entry DOI: 10.7270/Q2W097M2
					More data for this Ligand-Target Pair
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM50058803 (CHEMBL2409542) Show SMILES C\C(=N/Nc1nc(cs1)-c1ccccc1)c1ccccn1 Show InChI InChI=1S/C16H14N4S/c1-12(14-9-5-6-10-17-14)19-20-16-18-15(11-21-16)13-7-3-2-4-8-13/h2-11H,1H3,(H,18,20)/b19-12+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-A assessed as oxidation of kynuramine to 4-hydroxyquinoline after 20 mins by spectrofluorometric analysis				Eur J Med Chem 66: 221-7 (2013) Article DOI: 10.1016/j.ejmech.2013.05.032 BindingDB Entry DOI: 10.7270/Q2ZG6W5D
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50058803 (CHEMBL2409542) Show SMILES C\C(=N/Nc1nc(cs1)-c1ccccc1)c1ccccn1 Show InChI InChI=1S/C16H14N4S/c1-12(14-9-5-6-10-17-14)19-20-16-18-15(11-21-16)13-7-3-2-4-8-13/h2-11H,1H3,(H,18,20)/b19-12+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B assessed as oxidation of kynuramine to 4-hydroxyquinoline after 20 mins by spectrofluorometric analysis				Eur J Med Chem 66: 221-7 (2013) Article DOI: 10.1016/j.ejmech.2013.05.032 BindingDB Entry DOI: 10.7270/Q2ZG6W5D
					More data for this Ligand-Target Pair