BDBM50119168 (2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::(2R,3R,4S,5R)-2-(6-amino-2-(hex-1-ynyl)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol::(2R,3R,4S,5R)-2-(6-amino-2-(hex-1-ynyl)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol::2-(l-hexyn-l-yl)adenosine (7)::CHEMBL319387

SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1

InChI Key InChIKey=AHJRSKVOELIMOX-RVXWVPLUSA-N

Data  17 KI  1 IC50  4 EC50

Find this compound or compounds like it in BindingDB:
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50119168   

TargetAdenosine receptor A2a(Rattus norvegicus (rat))
Universit£ di Camerino

Curated by ChEMBL
LigandPNGBDBM50119168((2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-...)
Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H21N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16-/m1/s1
Affinity DataKi:  2.20nMAssay Description:Displacement of [3H]-CGS- 51680 from Adenosine A2A receptor of rat striatum.More data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
Universit£ di Camerino

Curated by ChEMBL
LigandPNGBDBM50119168((2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-...)
Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H21N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16-/m1/s1
Affinity DataKi:  2.20nMAssay Description:Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in ratMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
Universit£ di Camerino

Curated by ChEMBL
LigandPNGBDBM50119168((2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-...)
Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H21N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16-/m1/s1
Affinity DataKi:  2.40nMAssay Description:Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand.More data for this Ligand-Target Pair
TargetAdenosine receptor A2a/A2b(Rattus norvegicus)
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM50119168((2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-...)
Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H21N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16-/m1/s1
Affinity DataKi:  2.40nMAssay Description:Binding affinity against adenosine A2 receptor from rat striatum using [3H]NECA as radioligand.More data for this Ligand-Target Pair
TargetAdenosine receptor A2a/A2b(Rattus norvegicus)
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM50119168((2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-...)
Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H21N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16-/m1/s1
Affinity DataKi:  2.80nMAssay Description:Inhibition of [3H]NECA binding to adenosine A2 receptor from rat striatal membranesMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a/A2b(Rattus norvegicus)
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM50119168((2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-...)
Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H21N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16-/m1/s1
Affinity DataKi:  2.80nMAssay Description:Binding affinity against adenosine A2 receptor in rat striatal membranes using [3H]NECA as radioligandMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a/A2b(Rattus norvegicus)
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM50119168((2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-...)
Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H21N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16-/m1/s1
Affinity DataKi:  3.60nMAssay Description:Binding affinity against adenosine A2 receptor from rat striatal membranes with 50 nM CPA using [3H]-NECAMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50119168((2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-...)
Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H21N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16-/m1/s1
Affinity DataKi:  5.70nMAssay Description:Binding affinity to A2A adenosine receptorMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a/A2b(Homo sapiens (Human))
Universit£ di Camerino

Curated by ChEMBL
LigandPNGBDBM50119168((2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-...)
Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H21N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16-/m1/s1
Affinity DataKi:  8.10nMAssay Description:Binding affinity against adenosine A2 receptor from human platelet membranes using [3H]NECAMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Universit£ di Camerino

Curated by ChEMBL
LigandPNGBDBM50119168((2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-...)
Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H21N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16-/m1/s1
Affinity DataKi:  13nMAssay Description:Inhibition of adenylate cyclase via adenosine A1 receptors in rat fat cell membranesMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Universit£ di Camerino

Curated by ChEMBL
LigandPNGBDBM50119168((2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-...)
Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H21N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16-/m1/s1
Affinity DataKi:  16nMAssay Description:Binding affinity against low affinity component of adenosine A1 receptors from rat brain membranes using [3H]-DPCPXMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Universit£ di Camerino

Curated by ChEMBL
LigandPNGBDBM50119168((2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-...)
Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H21N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16-/m1/s1
Affinity DataKi:  98nMAssay Description:Displacement of [3H]CHA from Adenosine A1 receptor of rat brainMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Universit£ di Camerino

Curated by ChEMBL
LigandPNGBDBM50119168((2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-...)
Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H21N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16-/m1/s1
Affinity DataKi:  103nMAssay Description:Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand.More data for this Ligand-Target Pair
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Universit£ di Camerino

Curated by ChEMBL
LigandPNGBDBM50119168((2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-...)
Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H21N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16-/m1/s1
Affinity DataKi:  126nMAssay Description:Inhibition of [3H]CHA binding to adenosine A1 receptor from rat brain membranesMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Universit£ di Camerino

Curated by ChEMBL
LigandPNGBDBM50119168((2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-...)
Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H21N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16-/m1/s1
Affinity DataKi:  126nMAssay Description:Binding affinity against adenosine A1 receptor in rat brain membranes using [3H]CHA as radioligandMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Universit£ di Camerino

Curated by ChEMBL
LigandPNGBDBM50119168((2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-...)
Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H21N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16-/m1/s1
Affinity DataKi:  147nMAssay Description:Binding affinity against adenosine A1 receptor using [3H]-CHA or [3H]PIA as radioligandMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Universit£ di Camerino

Curated by ChEMBL
LigandPNGBDBM50119168((2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-...)
Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H21N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16-/m1/s1
Affinity DataKi:  633nMAssay Description:Binding affinity against low affinity component of adenosine A1 receptors from rat brain membranes using [3H]-DPCPXMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Universit£ di Camerino

Curated by ChEMBL
LigandPNGBDBM50119168((2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-...)
Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H21N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16-/m1/s1
Affinity DataEC50: >1nMAssay Description:Adenosine A1 receptor mediated negative chronotropic activity in spontaneously beating rat atriaMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a/A2b(Homo sapiens (Human))
Universit£ di Camerino

Curated by ChEMBL
LigandPNGBDBM50119168((2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-...)
Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H21N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16-/m1/s1
Affinity DataEC50:  128nMAssay Description:Maximal NECA stimulation of adenylate cyclase via adenosine A2 receptor in human platelet membranesMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Universit£ di Camerino

Curated by ChEMBL
LigandPNGBDBM50119168((2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-...)
Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H21N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16-/m1/s1
Affinity DataIC50: 2.30E+3nMAssay Description:Binding affinity against high affinity component of adenosine A1 receptors from rat brain membranes using [3H]DPCPXMore data for this Ligand-Target Pair
TargetAdenosine receptor A2b(Homo sapiens (Human))
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50119168((2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-...)
Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H21N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16-/m1/s1
Affinity DataEC50:  1.00E+4nMAssay Description:Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of adenylate cyclaseMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
Universit£ di Camerino

Curated by ChEMBL
LigandPNGBDBM50119168((2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-...)
Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H21N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16-/m1/s1
Affinity DataEC50:  79nMAssay Description:Vasorelaxation as Adenosine A2A receptor activity in rat aortaMore data for this Ligand-Target Pair