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BDBM50004711 3-Phenyl-2-(9-phenyl-2-propoxy-9H-purin-6-ylamino)-propan-1-ol::CHEMBL420489

SMILES: CCCOc1nc(N[C@H](CO)Cc2ccccc2)c2ncn(-c3ccccc3)c2n1

InChI Key: InChIKey=NTRYVXHUXMWEIY-SFHVURJKSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50004711   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50004711
PNG
(3-Phenyl-2-(9-phenyl-2-propoxy-9H-purin-6-ylamino)...)
Show SMILES CCCOc1nc(N[C@H](CO)Cc2ccccc2)c2ncn(-c3ccccc3)c2n1
Show InChI InChI=1S/C23H25N5O2/c1-2-13-30-23-26-21(25-18(15-29)14-17-9-5-3-6-10-17)20-22(27-23)28(16-24-20)19-11-7-4-8-12-19/h3-12,16,18,29H,2,13-15H2,1H3,(H,25,26,27)/t18-/m0/s1
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
96n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CHA binding to Adenosine A1 receptor in whole rat brain membranes


J Med Chem 35: 3263-9 (1992)


Article DOI: 10.1021/jm00095a024
BindingDB Entry DOI: 10.7270/Q2QF8RTH
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50004711
PNG
(3-Phenyl-2-(9-phenyl-2-propoxy-9H-purin-6-ylamino)...)
Show SMILES CCCOc1nc(N[C@H](CO)Cc2ccccc2)c2ncn(-c3ccccc3)c2n1
Show InChI InChI=1S/C23H25N5O2/c1-2-13-30-23-26-21(25-18(15-29)14-17-9-5-3-6-10-17)20-22(27-23)28(16-24-20)19-11-7-4-8-12-19/h3-12,16,18,29H,2,13-15H2,1H3,(H,25,26,27)/t18-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.60E+3n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Shh signaling in mouse Shh-light2 cells by Gli-dependent firefly luciferase reporter gene assay


J Med Chem 35: 3263-9 (1992)


Article DOI: 10.1021/jm00095a024
BindingDB Entry DOI: 10.7270/Q2QF8RTH
More data for this
Ligand-Target Pair