BDBM50454901 CHEMBL2113469

SMILES CC(C)CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12

InChI Key InChIKey=APJGWOVLAUZJKU-NVQRDWNXSA-N

Data  3 KI  1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50454901   

TargetAdenosine receptor A1(Rattus norvegicus (rat))
Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL
LigandPNGBDBM50454901(CHEMBL2113469)
Show SMILES CC(C)CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C19H29N5O3S/c1-11(2)7-28-8-13-15(25)16(26)19(27-13)24-10-22-14-17(20-9-21-18(14)24)23-12-5-3-4-6-12/h9-13,15-16,19,25-26H,3-8H2,1-2H3,(H,20,21,23)/t13-,15-,16-,19-/m1/s1
Affinity DataKi:  41nMAssay Description:Binding affinity against adenosine A1 receptor using [3H]DPCPX in rat cortical membranes in the absence of GTPMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL
LigandPNGBDBM50454901(CHEMBL2113469)
Show SMILES CC(C)CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C19H29N5O3S/c1-11(2)7-28-8-13-15(25)16(26)19(27-13)24-10-22-14-17(20-9-21-18(14)24)23-12-5-3-4-6-12/h9-13,15-16,19,25-26H,3-8H2,1-2H3,(H,20,21,23)/t13-,15-,16-,19-/m1/s1
Affinity DataKi:  149nMAssay Description:Binding affinity against adenosine A1 receptor using [3H]DPCPX in rat cortical membranes in the presence of GTP.More data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL
LigandPNGBDBM50454901(CHEMBL2113469)
Show SMILES CC(C)CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C19H29N5O3S/c1-11(2)7-28-8-13-15(25)16(26)19(27-13)24-10-22-14-17(20-9-21-18(14)24)23-12-5-3-4-6-12/h9-13,15-16,19,25-26H,3-8H2,1-2H3,(H,20,21,23)/t13-,15-,16-,19-/m1/s1
Affinity DataKi:  1.03E+4nMAssay Description:Binding affinity against Adenosine A2A receptor using [3H]-CGS- 21680 as the radioligand in rat striatal membranesMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL
LigandPNGBDBM50454901(CHEMBL2113469)
Show SMILES CC(C)CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C19H29N5O3S/c1-11(2)7-28-8-13-15(25)16(26)19(27-13)24-10-22-14-17(20-9-21-18(14)24)23-12-5-3-4-6-12/h9-13,15-16,19,25-26H,3-8H2,1-2H3,(H,20,21,23)/t13-,15-,16-,19-/m1/s1
Affinity DataEC50:  189nMAssay Description:Effective concentration for [35S]GTP-gamma-S, binding to adenosine A1 receptor in rat brain membranesMore data for this Ligand-Target Pair