BDBM50393882 CHEMBL2158243

SMILES: Brc1ccc(CSc2ccc3C(=O)NC(=O)c3c2)cc1

InChI Key: InChIKey=VWQLWWBXGIQDME-UHFFFAOYSA-N

Data: 1 KI  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 3 hits for monomerid = 50393882   

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
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50393882 (CHEMBL2158243) Show SMILES Brc1ccc(CSc2ccc3C(=O)NC(=O)c3c2)cc1 Show InChI InChI=1S/C15H10BrNO2S/c16-10-3-1-9(2-4-10)8-20-11-5-6-12-13(7-11)15(19)17-14(12)18/h1-7H,8H2,(H,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	676	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University					Assay Description For the A2a receptor binding study, the incubation contained 10 mg of the original tissue weight of the striatal membranes, 4 nM [3H]NECA, 50 nM CPA,...				Bioorg Chem 59: 117-23 (2015) Article DOI: 10.1016/j.bioorg.2015.02.005 BindingDB Entry DOI: 10.7270/Q22J69KC
					More data for this Ligand-Target Pair
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM50393882 (CHEMBL2158243) Show SMILES Brc1ccc(CSc2ccc3C(=O)NC(=O)c3c2)cc1 Show InChI InChI=1S/C15H10BrNO2S/c16-10-3-1-9(2-4-10)8-20-11-5-6-12-13(7-11)15(19)17-14(12)18/h1-7H,8H2,(H,17,18,19)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	273	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA using kynuramine as substrate assessed as formation of 4-hydroxyquinoline after 20 mins by fluorescence spectrop...				Bioorg Med Chem Lett 22: 6632-5 (2012) Article DOI: 10.1016/j.bmcl.2012.08.113 BindingDB Entry DOI: 10.7270/Q2RJ4KK4
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50393882 (CHEMBL2158243) Show SMILES Brc1ccc(CSc2ccc3C(=O)NC(=O)c3c2)cc1 Show InChI InChI=1S/C15H10BrNO2S/c16-10-3-1-9(2-4-10)8-20-11-5-6-12-13(7-11)15(19)17-14(12)18/h1-7H,8H2,(H,17,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB using kynuramine as substrate assessed as formation of 4-hydroxyquinoline after 20 mins by fluorescence spectrop...				Bioorg Med Chem Lett 22: 6632-5 (2012) Article DOI: 10.1016/j.bmcl.2012.08.113 BindingDB Entry DOI: 10.7270/Q2RJ4KK4
					More data for this Ligand-Target Pair