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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine A1 receptor' and Ligand = 'BDBM50005375'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine A1 receptor


(GUINEA PIG)
BDBM50005375
PNG
(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
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

Article
PubMed
80n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm00083a018
BindingDB Entry DOI: 10.7270/Q2NS0VJZ
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50005375
PNG
(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
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

Article
PubMed
80n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm00094a022
BindingDB Entry DOI: 10.7270/Q2DN45PF
More data for this
Ligand-Target Pair