BDBM50005375 8-Bicyclo[2.2.1]hept-2-ylmethyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL355750

SMILES: CCCn1c2nc(C[C@H]3CC4CCC3C4)[nH]c2c(=O)n(CCC)c1=O

InChI Key: InChIKey=HQRJBFICGQWZHQ-JXQTWKCFSA-N

Data: 4 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 4 hits for monomerid = 50005375   

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 A1 receptor (GUINEA PIG)	BDBM50005375 (8-Bicyclo[2.2.1]hept-2-ylmethyl-1,3-dipropyl-3,7-d...) Show SMILES CCCn1c2nc(C[C@H]3CC4CCC3C4)[nH]c2c(=O)n(CCC)c1=O |TLB:7:8:14:12.11| Show InChI InChI=1S/C19H28N4O2/c1-3-7-22-17-16(18(24)23(8-4-2)19(22)25)20-15(21-17)11-14-10-12-5-6-13(14)9-12/h12-14H,3-11H2,1-2H3,(H,20,21)/t12?,13?,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	80	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 in guinea pig forebrain membranes using N6-[3H]cyclohexyladenosine as radioligand				J Med Chem 35: 3066-75 (1992) BindingDB Entry DOI: 10.7270/Q2DN45PF
					More data for this Ligand-Target Pair
Adenosine A1 receptor (GUINEA PIG)	BDBM50005375 (8-Bicyclo[2.2.1]hept-2-ylmethyl-1,3-dipropyl-3,7-d...) Show SMILES CCCn1c2nc(C[C@H]3CC4CCC3C4)[nH]c2c(=O)n(CCC)c1=O |TLB:7:8:14:12.11| Show InChI InChI=1S/C19H28N4O2/c1-3-7-22-17-16(18(24)23(8-4-2)19(22)25)20-15(21-17)11-14-10-12-5-6-13(14)9-12/h12-14H,3-11H2,1-2H3,(H,20,21)/t12?,13?,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	80	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 using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes				J Med Chem 35: 924-30 (1992) BindingDB Entry DOI: 10.7270/Q2NS0VJZ
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50005375 (8-Bicyclo[2.2.1]hept-2-ylmethyl-1,3-dipropyl-3,7-d...) Show SMILES CCCn1c2nc(C[C@H]3CC4CCC3C4)[nH]c2c(=O)n(CCC)c1=O |TLB:7:8:14:12.11| Show InChI InChI=1S/C19H28N4O2/c1-3-7-22-17-16(18(24)23(8-4-2)19(22)25)20-15(21-17)11-14-10-12-5-6-13(14)9-12/h12-14H,3-11H2,1-2H3,(H,20,21)/t12?,13?,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+3	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 A2 receptor using N-[3H]-ethyladenosin-5''-uronamide as radioligand in rat striatal membranes.				J Med Chem 35: 924-30 (1992) BindingDB Entry DOI: 10.7270/Q2NS0VJZ
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50005375 (8-Bicyclo[2.2.1]hept-2-ylmethyl-1,3-dipropyl-3,7-d...) Show SMILES CCCn1c2nc(C[C@H]3CC4CCC3C4)[nH]c2c(=O)n(CCC)c1=O |TLB:7:8:14:12.11| Show InChI InChI=1S/C19H28N4O2/c1-3-7-22-17-16(18(24)23(8-4-2)19(22)25)20-15(21-17)11-14-10-12-5-6-13(14)9-12/h12-14H,3-11H2,1-2H3,(H,20,21)/t12?,13?,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+3	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 A2 receptor in rat striatal membranes using N-[3H]-ethyladenosin-5''-uronamide as radioligand in the presence of 5...				J Med Chem 35: 3066-75 (1992) BindingDB Entry DOI: 10.7270/Q2DN45PF
					More data for this Ligand-Target Pair