BDBM50199276 4-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo[2.2.2]oct-1-yl]-butyric acid::CHEMBL264070

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

InChI Key: InChIKey=BGGPFCJYYBWGTM-YHBQERECSA-N

Data: 3 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 3 hits for monomerid = 50199276   

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))	BDBM50199276 (4-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@]12CC[C@](CCCC(O)=O)(CC1)CC2 Show InChI InChI=1S/C23H34N4O4/c1-3-14-26-18-17(19(30)27(15-4-2)21(26)31)24-20(25-18)23-11-8-22(9-12-23,10-13-23)7-5-6-16(28)29/h3-15H2,1-2H3,(H,24,25)(H,28,29)/t22-,23-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4	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 receptor A1 (Homo sapiens (Human))	BDBM50199276 (4-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@]12CC[C@](CCCC(O)=O)(CC1)CC2 Show InChI InChI=1S/C23H34N4O4/c1-3-14-26-18-17(19(30)27(15-4-2)21(26)31)24-20(25-18)23-11-8-22(9-12-23,10-13-23)7-5-6-16(28)29/h3-15H2,1-2H3,(H,24,25)(H,28,29)/t22-,23-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	29	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 A2b (Homo sapiens (Human))	BDBM50199276 (4-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@]12CC[C@](CCCC(O)=O)(CC1)CC2 Show InChI InChI=1S/C23H34N4O4/c1-3-14-26-18-17(19(30)27(15-4-2)21(26)31)24-20(25-18)23-11-8-22(9-12-23,10-13-23)7-5-6-16(28)29/h3-15H2,1-2H3,(H,24,25)(H,28,29)/t22-,23-	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	127	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]3-(4-aminobenzyl)-8-phenyloxyacetate-1-propyl-xanthine from human adenosine A2B 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