BDBM82039 8-{4-[N-(3-Dimethylaminopropyl)-sulfonamido]phenyl}-1,3-Dipropylxanthine (PD 113,297)

SMILES: CN(C)CCCNS(=O)(=O)c1ccc(Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1

InChI Key: InChIKey=CTMBZWKQUSZBCR-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 = 82039   

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))	BDBM82039 (8-{4-[N-(3-Dimethylaminopropyl)-sulfonamido]phenyl...) Show SMILES CN(C)CCCNS(=O)(=O)c1ccc(Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1 Show InChI InChI=1S/C19H26N6O4S/c1-23(2)11-5-10-20-30(28,29)14-8-6-13(7-9-14)12-15-21-16-17(22-15)24(3)19(27)25(4)18(16)26/h6-9,20H,5,10-12H2,1-4H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	5.59	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))	BDBM82039 (8-{4-[N-(3-Dimethylaminopropyl)-sulfonamido]phenyl...) Show SMILES CN(C)CCCNS(=O)(=O)c1ccc(Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1 Show InChI InChI=1S/C19H26N6O4S/c1-23(2)11-5-10-20-30(28,29)14-8-6-13(7-9-14)12-15-21-16-17(22-15)24(3)19(27)25(4)18(16)26/h6-9,20H,5,10-12H2,1-4H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	70	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