BDBM50420972 CHEMBL2088309

SMILES: Cn1c(CSc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12

InChI Key: InChIKey=YVPZIZHNADXQNO-UHFFFAOYSA-N

Data: 2 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 4 hits for monomerid = 50420972   

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 A2a (Rattus norvegicus (rat))	BDBM50420972 (CHEMBL2088309) Show SMILES Cn1c(CSc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C15H16N4O2S/c1-17-11(9-22-10-7-5-4-6-8-10)16-13-12(17)14(20)19(3)15(21)18(13)2/h4-8H,9H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre of Excellence for Pharmaceutical Sciences, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom, 2520, South Africa. Electronic address: dalenevanderwalt@gmail.com. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from adenosine receptor A2a in rat brain striatal membrane				Eur J Med Chem 125: 652-656 (2017) Article DOI: 10.1016/j.ejmech.2016.09.072 BindingDB Entry DOI: 10.7270/Q2QV3PZQ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50420972 (CHEMBL2088309) Show SMILES Cn1c(CSc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C15H16N4O2S/c1-17-11(9-22-10-7-5-4-6-8-10)16-13-12(17)14(20)19(3)15(21)18(13)2/h4-8H,9H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.85E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre of Excellence for Pharmaceutical Sciences, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom, 2520, South Africa. Electronic address: dalenevanderwalt@gmail.com. Curated by ChEMBL					Assay Description Displacement of [3H]CHA from adenosine receptor A1 in rat brain cortical membrane				Eur J Med Chem 125: 652-656 (2017) Article DOI: 10.1016/j.ejmech.2016.09.072 BindingDB Entry DOI: 10.7270/Q2QV3PZQ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50420972 (CHEMBL2088309) Show SMILES Cn1c(CSc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C15H16N4O2S/c1-17-11(9-22-10-7-5-4-6-8-10)16-13-12(17)14(20)19(3)15(21)18(13)2/h4-8H,9H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by fluorescence spec...				Bioorg Med Chem 20: 4336-47 (2012) Article DOI: 10.1016/j.bmc.2012.05.048 BindingDB Entry DOI: 10.7270/Q2251KGN
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50420972 (CHEMBL2088309) Show SMILES Cn1c(CSc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C15H16N4O2S/c1-17-11(9-22-10-7-5-4-6-8-10)16-13-12(17)14(20)19(3)15(21)18(13)2/h4-8H,9H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.62E+4	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-A expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by fluorescence spec...				Bioorg Med Chem 20: 4336-47 (2012) Article DOI: 10.1016/j.bmc.2012.05.048 BindingDB Entry DOI: 10.7270/Q2251KGN
					More data for this Ligand-Target Pair