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2 similar compounds to monomer 50455625

Compile data set for download or QSAR
Wt: 403.4
BDBM50455624
Wt: 403.4
BDBM50455626

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50455624,50455626   
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 A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50455626
PNG
(CHEMBL2112507)
Show SMILES CCCOc1nc(N[C@H](C)[C@@H](O)c2ccccc2)c2cnn(-c3ccccc3)c2n1
Show InChI InChI=1S/C23H25N5O2/c1-3-14-30-23-26-21(25-16(2)20(29)17-10-6-4-7-11-17)19-15-24-28(22(19)27-23)18-12-8-5-9-13-18/h4-13,15-16,20,29H,3,14H2,1-2H3,(H,25,26,27)/t16-,20-/m1/s1
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Article
PubMed
310n/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
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50455626
PNG
(CHEMBL2112507)
Show SMILES CCCOc1nc(N[C@H](C)[C@@H](O)c2ccccc2)c2cnn(-c3ccccc3)c2n1
Show InChI InChI=1S/C23H25N5O2/c1-3-14-30-23-26-21(25-16(2)20(29)17-10-6-4-7-11-17)19-15-24-28(22(19)27-23)18-12-8-5-9-13-18/h4-13,15-16,20,29H,3,14H2,1-2H3,(H,25,26,27)/t16-,20-/m1/s1
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Article
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1.00E+3n/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))
BDBM50455624
PNG
(CHEMBL2112500)
Show SMILES CCCOc1nc(N[C@@H](C)[C@H](O)c2ccccc2)c2cnn(-c3ccccc3)c2n1
Show InChI InChI=1S/C23H25N5O2/c1-3-14-30-23-26-21(25-16(2)20(29)17-10-6-4-7-11-17)19-15-24-28(22(19)27-23)18-12-8-5-9-13-18/h4-13,15-16,20,29H,3,14H2,1-2H3,(H,25,26,27)/t16-,20-/m0/s1
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PubMed
1.40E+3n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis


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 receptor A1


(Rattus norvegicus (rat))
BDBM50455624
PNG
(CHEMBL2112500)
Show SMILES CCCOc1nc(N[C@@H](C)[C@H](O)c2ccccc2)c2cnn(-c3ccccc3)c2n1
Show InChI InChI=1S/C23H25N5O2/c1-3-14-30-23-26-21(25-16(2)20(29)17-10-6-4-7-11-17)19-15-24-28(22(19)27-23)18-12-8-5-9-13-18/h4-13,15-16,20,29H,3,14H2,1-2H3,(H,25,26,27)/t16-,20-/m0/s1
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Article
PubMed
6.30E+3n/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