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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 = 'BDBM50004572'   
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)
BDBM50004572
PNG
(8-Cyclopentyl-7-methyl-1,3-dipropyl-3,7-dihydro-pu...)
Show SMILES CCCn1c2nc(C3CCCC3)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C17H26N4O2/c1-4-10-20-15-13(16(22)21(11-5-2)17(20)23)19(3)14(18-15)12-8-6-7-9-12/h12H,4-11H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3.90E+3n/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
Adenosine A1 receptor


(GUINEA PIG)
BDBM50004572
PNG
(8-Cyclopentyl-7-methyl-1,3-dipropyl-3,7-dihydro-pu...)
Show SMILES CCCn1c2nc(C3CCCC3)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C17H26N4O2/c1-4-10-20-15-13(16(22)21(11-5-2)17(20)23)19(3)14(18-15)12-8-6-7-9-12/h12H,4-11H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
8.10E+3n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from guinea pig forebrain membranes, using N6-[3H]-cyclohexyladenosine as radioligand.


J Med Chem 35: 2342-5 (1992)


Article DOI: 10.1021/jm00090a027
BindingDB Entry DOI: 10.7270/Q2T43S20
More data for this
Ligand-Target Pair