BDBM50044432 3-[2-(4-Amino-phenyl)-ethyl]-8-(hexahydro-2,5-methano-pentalen-3a-yl)-1-propyl-3,7-dihydro-purine-2,6-dione::CHEMBL312857

SMILES: CCCn1c(=O)n(CCc2ccc(N)cc2)c2nc([nH]c2c1=O)C12CC3CC1CC(C2)C3

InChI Key: InChIKey=WIQUEWXPOAOPDO-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 = 50044432   

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 (GUINEA PIG)	BDBM50044432 (3-[2-(4-Amino-phenyl)-ethyl]-8-(hexahydro-2,5-meth...) Show SMILES CCCn1c(=O)n(CCc2ccc(N)cc2)c2nc([nH]c2c1=O)C12CC3CC1CC(C2)C3 |THB:28:27:24:30.29.31,28:29:24:27.26| Show InChI InChI=1S/C25H31N5O2/c1-2-8-30-22(31)20-21(29(24(30)32)9-7-15-3-5-19(26)6-4-15)28-23(27-20)25-13-16-10-17(14-25)12-18(25)11-16/h3-6,16-18H,2,7-14,26H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor from guinea pig forebrain membranes by N6-[3H]- cyclohexyladenosine displacement.				J Med Chem 36: 2508-18 (1993) BindingDB Entry DOI: 10.7270/Q2GX4C5K
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50044432 (3-[2-(4-Amino-phenyl)-ethyl]-8-(hexahydro-2,5-meth...) Show SMILES CCCn1c(=O)n(CCc2ccc(N)cc2)c2nc([nH]c2c1=O)C12CC3CC1CC(C2)C3 |THB:28:27:24:30.29.31,28:29:24:27.26| Show InChI InChI=1S/C25H31N5O2/c1-2-8-30-22(31)20-21(29(24(30)32)9-7-15-3-5-19(26)6-4-15)28-23(27-20)25-13-16-10-17(14-25)12-18(25)11-16/h3-6,16-18H,2,7-14,26H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity at Adenosine A2 receptor from rat striatal membranes by N-[3H] ethyladenosin-5'- uronamide displacement.				J Med Chem 36: 2508-18 (1993) BindingDB Entry DOI: 10.7270/Q2GX4C5K
					More data for this Ligand-Target Pair