BDBM50199288 CHEMBL425457::[4-(2,6-dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)-bicyclo[2.2.2]oct-1-yl]-acetic acid

SMILES: CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@]12CC[C@](CC(O)=O)(CC1)CC2

InChI Key: InChIKey=YCUDIPUBZROMDV-OYRHEFFESA-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 = 50199288   

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))	BDBM50199288 (CHEMBL425457 | [4-(2,6-dioxo-1,3-dipropyl-2,3,6,9-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@]12CC[C@](CC(O)=O)(CC1)CC2 Show InChI InChI=1S/C21H30N4O4/c1-3-11-24-16-15(17(28)25(12-4-2)19(24)29)22-18(23-16)21-8-5-20(6-9-21,7-10-21)13-14(26)27/h3-13H2,1-2H3,(H,22,23)(H,26,27)/t20-,21+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]CPX from rat brain cortex adenosine A1 receptor				J Med Chem 49: 7119-31 (2006) Article DOI: 10.1021/jm0605381 BindingDB Entry DOI: 10.7270/Q2DN44QG
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50199288 (CHEMBL425457 | [4-(2,6-dioxo-1,3-dipropyl-2,3,6,9-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@]12CC[C@](CC(O)=O)(CC1)CC2 Show InChI InChI=1S/C21H30N4O4/c1-3-11-24-16-15(17(28)25(12-4-2)19(24)29)22-18(23-16)21-8-5-20(6-9-21,7-10-21)13-14(26)27/h3-13H2,1-2H3,(H,22,23)(H,26,27)/t20-,21+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.96E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from rat brain striatum adenosine A2A receptor				J Med Chem 49: 7119-31 (2006) Article DOI: 10.1021/jm0605381 BindingDB Entry DOI: 10.7270/Q2DN44QG
					More data for this Ligand-Target Pair