BDBM50199283 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-cyclohexanecarboxylic acid (2-dimethylamino-ethyl)-amide::CHEMBL387440

SMILES: CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@H]1CC[C@@H](CC1)C(=O)NCCN(C)C

InChI Key: InChIKey=TXELAPVVYAWXKZ-WKILWMFISA-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 = 50199283   

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))	BDBM50199283 (4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...) Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@H]1CC[C@@H](CC1)C(=O)NCCN(C)C |wU:20.25,wD:17.18,(-.46,-24.38,;1.08,-24.38,;1.85,-25.71,;3.39,-25.71,;4.16,-24.38,;3.68,-22.92,;4.93,-22.01,;6.18,-22.92,;5.7,-24.38,;6.48,-25.71,;8.02,-25.7,;5.7,-27.05,;6.47,-28.38,;8.01,-28.38,;8.78,-27.05,;4.16,-27.05,;3.39,-28.38,;4.93,-20.47,;6.26,-19.71,;6.26,-18.17,;4.93,-17.39,;3.6,-18.17,;3.6,-19.71,;4.93,-15.85,;3.59,-15.08,;6.26,-15.08,;7.59,-15.85,;8.93,-15.08,;10.26,-15.85,;11.6,-15.08,;10.26,-17.39,)| Show InChI InChI=1S/C22H36N6O3/c1-5-12-27-19-17(21(30)28(13-6-2)22(27)31)24-18(25-19)15-7-9-16(10-8-15)20(29)23-11-14-26(3)4/h15-16H,5-14H2,1-4H3,(H,23,29)(H,24,25)/t15-,16-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	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))	BDBM50199283 (4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...) Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@H]1CC[C@@H](CC1)C(=O)NCCN(C)C |wU:20.25,wD:17.18,(-.46,-24.38,;1.08,-24.38,;1.85,-25.71,;3.39,-25.71,;4.16,-24.38,;3.68,-22.92,;4.93,-22.01,;6.18,-22.92,;5.7,-24.38,;6.48,-25.71,;8.02,-25.7,;5.7,-27.05,;6.47,-28.38,;8.01,-28.38,;8.78,-27.05,;4.16,-27.05,;3.39,-28.38,;4.93,-20.47,;6.26,-19.71,;6.26,-18.17,;4.93,-17.39,;3.6,-18.17,;3.6,-19.71,;4.93,-15.85,;3.59,-15.08,;6.26,-15.08,;7.59,-15.85,;8.93,-15.08,;10.26,-15.85,;11.6,-15.08,;10.26,-17.39,)| Show InChI InChI=1S/C22H36N6O3/c1-5-12-27-19-17(21(30)28(13-6-2)22(27)31)24-18(25-19)15-7-9-16(10-8-15)20(29)23-11-14-26(3)4/h15-16H,5-14H2,1-4H3,(H,23,29)(H,24,25)/t15-,16-	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	168	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