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BDBM50407525 CHEMBL2113387

SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ccnc12

InChI Key: InChIKey=DSRMUJPYUHDISF-DNNBLBMLSA-N

Data: 3 KI  1 IC50  1 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 5 hits for monomerid = 50407525   
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))
BDBM50407525
PNG
(CHEMBL2113387)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ccnc12
Show InChI InChI=1S/C17H24N4O4/c22-8-12-14(23)15(24)17(25-12)21-9-19-13-11(6-7-18-16(13)21)20-10-4-2-1-3-5-10/h6-7,9-10,12,14-15,17,22-24H,1-5,8H2,(H,18,20)/t12-,14-,15-,17-/m1/s1
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16n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]PIA from adenosine A1 receptor of rat brain membranes


J Med Chem 31: 1179-83 (1988)


Article DOI: 10.1021/jm00401a018
BindingDB Entry DOI: 10.7270/Q2QC042G
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50407525
PNG
(CHEMBL2113387)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ccnc12
Show InChI InChI=1S/C17H24N4O4/c22-8-12-14(23)15(24)17(25-12)21-9-19-13-11(6-7-18-16(13)21)20-10-4-2-1-3-5-10/h6-7,9-10,12,14-15,17,22-24H,1-5,8H2,(H,18,20)/t12-,14-,15-,17-/m1/s1
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6.80E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from A2-receptor of rat striatal membranes


J Med Chem 31: 1179-83 (1988)


Article DOI: 10.1021/jm00401a018
BindingDB Entry DOI: 10.7270/Q2QC042G
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50407525
PNG
(CHEMBL2113387)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ccnc12
Show InChI InChI=1S/C17H24N4O4/c22-8-12-14(23)15(24)17(25-12)21-9-19-13-11(6-7-18-16(13)21)20-10-4-2-1-3-5-10/h6-7,9-10,12,14-15,17,22-24H,1-5,8H2,(H,18,20)/t12-,14-,15-,17-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


Article DOI: 10.1021/jm00020a017
BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50407525
PNG
(CHEMBL2113387)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ccnc12
Show InChI InChI=1S/C17H24N4O4/c22-8-12-14(23)15(24)17(25-12)21-9-19-13-11(6-7-18-16(13)21)20-10-4-2-1-3-5-10/h6-7,9-10,12,14-15,17,22-24H,1-5,8H2,(H,18,20)/t12-,14-,15-,17-/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition of Adenylate cyclase activity in rat fat cell membrane at adenosine A1 receptor


J Med Chem 31: 1179-83 (1988)


Article DOI: 10.1021/jm00401a018
BindingDB Entry DOI: 10.7270/Q2QC042G
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50407525
PNG
(CHEMBL2113387)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ccnc12
Show InChI InChI=1S/C17H24N4O4/c22-8-12-14(23)15(24)17(25-12)21-9-19-13-11(6-7-18-16(13)21)20-10-4-2-1-3-5-10/h6-7,9-10,12,14-15,17,22-24H,1-5,8H2,(H,18,20)/t12-,14-,15-,17-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.00E+4n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition of Adenylate cyclase activity in rat fat cell membrane at adenosine A1 receptor


J Med Chem 31: 1179-83 (1988)


Article DOI: 10.1021/jm00401a018
BindingDB Entry DOI: 10.7270/Q2QC042G
More data for this
Ligand-Target Pair