BDBM82041 8-(4-Nitrophenyl)theophylline

SMILES: Cn1c2[nH]c(nc2c(=O)n(C)c1=O)-c1ccc(cc1)N(=O)=O

InChI Key: InChIKey=GZKNQJOZTRVLIX-UHFFFAOYSA-N

Data: 2 KI

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 = 82041   

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))	BDBM82041 (8-(4-Nitrophenyl)theophylline) Show SMILES Cn1c2[nH]c(nc2c(=O)n(C)c1=O)-c1ccc(cc1)N(=O)=O Show InChI InChI=1S/C13H11N5O4/c1-16-11-9(12(19)17(2)13(16)20)14-10(15-11)7-3-5-8(6-4-7)18(21)22/h3-6H,1-2H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	PubMed	112	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert/Parke-Davis Pharmaceutical Research Curated by PDSP Ki Database									Mol Pharmacol 29: 331-46 (1986) BindingDB Entry DOI: 10.7270/Q2MK6BDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM82041 (8-(4-Nitrophenyl)theophylline) Show SMILES Cn1c2[nH]c(nc2c(=O)n(C)c1=O)-c1ccc(cc1)N(=O)=O Show InChI InChI=1S/C13H11N5O4/c1-16-11-9(12(19)17(2)13(16)20)14-10(15-11)7-3-5-8(6-4-7)18(21)22/h3-6H,1-2H3,(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	PubMed	2.52E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert/Parke-Davis Pharmaceutical Research Curated by PDSP Ki Database									Mol Pharmacol 29: 331-46 (1986) BindingDB Entry DOI: 10.7270/Q2MK6BDV
					More data for this Ligand-Target Pair