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BDBM50367376 CHEMBL605866

SMILES: NC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12

InChI Key: InChIKey=BLMHAOGGJQDPLX-TXDDJGQJSA-N

Data: 4 KI  1 IC50  2 EC50

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 7 hits for monomerid = 50367376   
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
G protein-coupled receptor 80


(Rattus norvegicus)
BDBM50367376
PNG
(CHEMBL605866)
Show SMILES NC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C10H12N6O4/c11-7-3-9(14-1-13-7)16(2-15-3)10-5(18)4(17)6(20-10)8(12)19/h1-2,4-6,10,17-18H,(H2,12,19)(H2,11,13,14)/t4-,5+,6-,10?/m0/s1
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64n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM [3H]NECA from rat brain membranes


J Med Chem 44: 208-14 (2001)


BindingDB Entry DOI: 10.7270/Q2H41S5S
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367376
PNG
(CHEMBL605866)
Show SMILES NC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C10H12N6O4/c11-7-3-9(14-1-13-7)16(2-15-3)10-5(18)4(17)6(20-10)8(12)19/h1-2,4-6,10,17-18H,(H2,12,19)(H2,11,13,14)/t4-,5+,6-,10?/m0/s1
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73n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for A1-adenosine receptor by the displacement of specific [3H]-PIA binding in rat brain was determined


J Med Chem 37: 636-46 (1994)


BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50367376
PNG
(CHEMBL605866)
Show SMILES NC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C10H12N6O4/c11-7-3-9(14-1-13-7)16(2-15-3)10-5(18)4(17)6(20-10)8(12)19/h1-2,4-6,10,17-18H,(H2,12,19)(H2,11,13,14)/t4-,5+,6-,10?/m0/s1
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1.41E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat A3-adenosine receptor by the displacement of specific [125I]APNEA or [125I]-N6-(4-amino-3-iodobenzyl)-adenosine-...


J Med Chem 37: 636-46 (1994)


BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens (Human))
BDBM50367376
PNG
(CHEMBL605866)
Show SMILES NC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C10H12N6O4/c11-7-3-9(14-1-13-7)16(2-15-3)10-5(18)4(17)6(20-10)8(12)19/h1-2,4-6,10,17-18H,(H2,12,19)(H2,11,13,14)/t4-,5+,6-,10?/m0/s1
PDB
MMDB

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2.60E+3n/an/an/an/an/an/an/an/a



Brigham Young University

Curated by ChEMBL


Assay Description
Inhibition of S-adenosyl-L-homocysteine hydrolase, inactivation rate constant.


J Med Chem 39: 4162-6 (1996)


Article DOI: 10.1021/jm960313y
BindingDB Entry DOI: 10.7270/Q2DN45QW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367376
PNG
(CHEMBL605866)
Show SMILES NC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C10H12N6O4/c11-7-3-9(14-1-13-7)16(2-15-3)10-5(18)4(17)6(20-10)8(12)19/h1-2,4-6,10,17-18H,(H2,12,19)(H2,11,13,14)/t4-,5+,6-,10?/m0/s1
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n/an/a 70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency against rat brain adenosine A1 receptor


J Med Chem 29: 1683-9 (1986)


BindingDB Entry DOI: 10.7270/Q2Z89D0F
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human))
BDBM50367376
PNG
(CHEMBL605866)
Show SMILES NC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C10H12N6O4/c11-7-3-9(14-1-13-7)16(2-15-3)10-5(18)4(17)6(20-10)8(12)19/h1-2,4-6,10,17-18H,(H2,12,19)(H2,11,13,14)/t4-,5+,6-,10?/m0/s1
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UniProtKB/SwissProt

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n/an/an/an/a 5.70E+3n/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 29: 1683-9 (1986)


BindingDB Entry DOI: 10.7270/Q2Z89D0F
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50367376
PNG
(CHEMBL605866)
Show SMILES NC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C10H12N6O4/c11-7-3-9(14-1-13-7)16(2-15-3)10-5(18)4(17)6(20-10)8(12)19/h1-2,4-6,10,17-18H,(H2,12,19)(H2,11,13,14)/t4-,5+,6-,10?/m0/s1
PDB

UniProtKB/SwissProt

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n/an/an/an/a 1.56E+3n/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 29: 1683-9 (1986)


BindingDB Entry DOI: 10.7270/Q2Z89D0F
More data for this
Ligand-Target Pair