BDBM50018428 CHEMBL57290::[5-Amino-5-(2-{2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetylamino}-ethylcarbamoyl)-pentyl]-carbamic acid benzyl ester; TFA

SMILES: CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)C(N)CCCCNC(=O)OCc2ccccc2)cc1

InChI Key: InChIKey=KOWBUZKXPZUREJ-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 = 50018428   

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))	BDBM50018428 (CHEMBL57290 | [5-Amino-5-(2-{2-[4-(2,6-dioxo-1,3-d...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)C(N)CCCCNC(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C35H46N8O7/c1-3-20-42-31-29(33(46)43(21-4-2)35(42)48)40-30(41-31)25-13-15-26(16-14-25)49-23-28(44)37-18-19-38-32(45)27(36)12-8-9-17-39-34(47)50-22-24-10-6-5-7-11-24/h5-7,10-11,13-16,27H,3-4,8-9,12,17-23,36H2,1-2H3,(H,37,44)(H,38,45)(H,39,47)(H,40,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Inhibition of 1 nM [3H]N-6-(phenylisopropyl)adenosine binding to adenosine A1 receptors in rat cortical membranes				J Med Chem 32: 1873-9 (1989) BindingDB Entry DOI: 10.7270/Q2708213
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50018428 (CHEMBL57290 | [5-Amino-5-(2-{2-[4-(2,6-dioxo-1,3-d...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)C(N)CCCCNC(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C35H46N8O7/c1-3-20-42-31-29(33(46)43(21-4-2)35(42)48)40-30(41-31)25-13-15-26(16-14-25)49-23-28(44)37-18-19-38-32(45)27(36)12-8-9-17-39-34(47)50-22-24-10-6-5-7-11-24/h5-7,10-11,13-16,27H,3-4,8-9,12,17-23,36H2,1-2H3,(H,37,44)(H,38,45)(H,39,47)(H,40,41)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	191	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Inhibition of [3H]5'-(N-ethylcarbamoyl)-adenosine binding to adenosine A2 receptor in rat striatal membranes				J Med Chem 32: 1873-9 (1989) BindingDB Entry DOI: 10.7270/Q2708213
					More data for this Ligand-Target Pair