BDBM50199273 CHEMBL386777::{[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo[2.2.2]octane-1-carbonyl]-amino}-acetic acid

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

InChI Key: InChIKey=CSJZKKRAYVYQCY-SZPZYZBQSA-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 = 50199273   

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 (Homo sapiens (Human))	BDBM50199273 (CHEMBL386777 | {[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)C(=O)NCC(O)=O Show InChI InChI=1S/C22H31N5O5/c1-3-11-26-16-15(17(30)27(12-4-2)20(26)32)24-18(25-16)21-5-8-22(9-6-21,10-7-21)19(31)23-13-14(28)29/h3-13H2,1-2H3,(H,23,31)(H,24,25)(H,28,29)/t21-,22+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49	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 [125I]ABA from human adenosine A1 receptor expressed in CHOK1 cells				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 receptor A2a (Homo sapiens (Human))	BDBM50199273 (CHEMBL386777 | {[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)C(=O)NCC(O)=O Show InChI InChI=1S/C22H31N5O5/c1-3-11-26-16-15(17(30)27(12-4-2)20(26)32)24-18(25-16)21-5-8-22(9-6-21,10-7-21)19(31)23-13-14(28)29/h3-13H2,1-2H3,(H,23,31)(H,24,25)(H,28,29)/t21-,22+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.88E+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 [125I]ZM241385 from human adenosine A2A receptor expressed in HEK cells				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