BDBM50420983 CHEMBL2088306

SMILES: Cn1c(COc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12

InChI Key: InChIKey=OTUXALWAARIWGY-UHFFFAOYSA-N

Data: 4 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 6 hits for monomerid = 50420983   

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 A2 receptor (Rattus norvegicus (rat))	BDBM50420983 (CHEMBL2088306) Show SMILES Cn1c(COc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C15H15ClN4O3/c1-18-11(8-23-10-6-4-9(16)5-7-10)17-13-12(18)14(21)20(3)15(22)19(13)2/h4-7H,8H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]NECA from adenosine receptor A2A in Sprague-Dawley rat striatal membranes after 60 mins by liquid scintillation counting				Bioorg Med Chem Lett 26: 5951-5955 (2016) Article DOI: 10.1016/j.bmcl.2016.10.086 BindingDB Entry DOI: 10.7270/Q2TB18WV
					More data for this Ligand-Target Pair
Adenosine receptor A2a and A3 (Rattus norvegicus (rat))	BDBM50420983 (CHEMBL2088306) Show SMILES Cn1c(COc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C15H15ClN4O3/c1-18-11(8-23-10-6-4-9(16)5-7-10)17-13-12(18)14(21)20(3)15(22)19(13)2/h4-7H,8H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.33E+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))	BDBM50420983 (CHEMBL2088306) Show SMILES Cn1c(COc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C15H15ClN4O3/c1-18-11(8-23-10-6-4-9(16)5-7-10)17-13-12(18)14(21)20(3)15(22)19(13)2/h4-7H,8H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.56E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine receptor A1 in Sprague-Dawley rat whole brain cell membranes after 60 mins by liquid scintillation counting				Bioorg Med Chem Lett 26: 5951-5955 (2016) Article DOI: 10.1016/j.bmcl.2016.10.086 BindingDB Entry DOI: 10.7270/Q2TB18WV
					More data for this Ligand-Target Pair
Adenosine receptor (Rattus norvegicus (rat))	BDBM50420983 (CHEMBL2088306) Show SMILES Cn1c(COc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C15H15ClN4O3/c1-18-11(8-23-10-6-4-9(16)5-7-10)17-13-12(18)14(21)20(3)15(22)19(13)2/h4-7H,8H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.60E+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))	BDBM50420983 (CHEMBL2088306) Show SMILES Cn1c(COc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C15H15ClN4O3/c1-18-11(8-23-10-6-4-9(16)5-7-10)17-13-12(18)14(21)20(3)15(22)19(13)2/h4-7H,8H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	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 horseradish perox...				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))	BDBM50420983 (CHEMBL2088306) Show SMILES Cn1c(COc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C15H15ClN4O3/c1-18-11(8-23-10-6-4-9(16)5-7-10)17-13-12(18)14(21)20(3)15(22)19(13)2/h4-7H,8H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.04E+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 horseradish perox...				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