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BDBM50454475 CHEMBL2113631

SMILES: CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(Cl)cc3)ncnc12

InChI Key: InChIKey=FLBGARACIIZDMU-MOROJQBDSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50454475   
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))
BDBM50454475
PNG
(CHEMBL2113631)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(Cl)cc3)ncnc12
Show InChI InChI=1S/C19H20ClN7O5/c1-2-21-17(30)14-12(28)13(29)18(32-14)27-8-24-11-15(22-7-23-16(11)27)26-19(31)25-10-5-3-9(20)4-6-10/h3-8,12-14,18,28-29H,2H2,1H3,(H,21,30)(H2,22,23,25,26,31)/t12-,13+,14-,18+/m0/s1
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
72n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from Adenosine A1 receptor in rat brain homogenates


J Med Chem 39: 802-6 (1996)


Article DOI: 10.1021/jm950518r
BindingDB Entry DOI: 10.7270/Q228089B
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50454475
PNG
(CHEMBL2113631)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(Cl)cc3)ncnc12
Show InChI InChI=1S/C19H20ClN7O5/c1-2-21-17(30)14-12(28)13(29)18(32-14)27-8-24-11-15(22-7-23-16(11)27)26-19(31)25-10-5-3-9(20)4-6-10/h3-8,12-14,18,28-29H,2H2,1H3,(H,21,30)(H2,22,23,25,26,31)/t12-,13+,14-,18+/m0/s1
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UniProtKB/SwissProt

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CHEMBL
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PC sid
UniChem

Similars

Article
PubMed
114n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from cloned rat Adenosine A3 receptor in stably transfected CHO cells


J Med Chem 39: 802-6 (1996)


Article DOI: 10.1021/jm950518r
BindingDB Entry DOI: 10.7270/Q228089B
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50454475
PNG
(CHEMBL2113631)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(Cl)cc3)ncnc12
Show InChI InChI=1S/C19H20ClN7O5/c1-2-21-17(30)14-12(28)13(29)18(32-14)27-8-24-11-15(22-7-23-16(11)27)26-19(31)25-10-5-3-9(20)4-6-10/h3-8,12-14,18,28-29H,2H2,1H3,(H,21,30)(H2,22,23,25,26,31)/t12-,13+,14-,18+/m0/s1
PDB
MMDB

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B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.49E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor in rat striatal homogenates


J Med Chem 39: 802-6 (1996)


Article DOI: 10.1021/jm950518r
BindingDB Entry DOI: 10.7270/Q228089B
More data for this
Ligand-Target Pair