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BDBM50003024 (8-(dicyclopropylmethyl)-1,3-dipropylxanthine)8-Dicyclopropylmethyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::8-Dicyclopropylmethyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL84363

SMILES: CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C1CC1)C1CC1

InChI Key: InChIKey=OEPXIQLEKWHAGE-UHFFFAOYSA-N

Data: 13 KI

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 13 hits for monomerid = 50003024   
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 A1 receptor


(GUINEA PIG)
BDBM50003024
PNG
((8-(dicyclopropylmethyl)-1,3-dipropylxanthine)8-Di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C1CC1)C1CC1
Show InChI InChI=1S/C18H26N4O2/c1-3-9-21-16-14(17(23)22(10-4-2)18(21)24)19-15(20-16)13(11-5-6-11)12-7-8-12/h11-13H,3-10H2,1-2H3,(H,19,20)
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3n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor using N6-[3H]-cyclohexyladenosine in guinea pig forebrain membranes


J Med Chem 35: 3578-81 (1992)


Article DOI: 10.1021/jm00097a016
BindingDB Entry DOI: 10.7270/Q28K781C
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50003024
PNG
((8-(dicyclopropylmethyl)-1,3-dipropylxanthine)8-Di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C1CC1)C1CC1
Show InChI InChI=1S/C18H26N4O2/c1-3-9-21-16-14(17(23)22(10-4-2)18(21)24)19-15(20-16)13(11-5-6-11)12-7-8-12/h11-13H,3-10H2,1-2H3,(H,19,20)
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3n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity carried out with [3H]-cyclohexyladenosine in guinea pig forebrain membranes against adenosine A1 receptor


J Med Chem 34: 466-9 (1991)


Article DOI: 10.1021/jm00105a072
BindingDB Entry DOI: 10.7270/Q2154G0Z
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50003024
PNG
((8-(dicyclopropylmethyl)-1,3-dipropylxanthine)8-Di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C1CC1)C1CC1
Show InChI InChI=1S/C18H26N4O2/c1-3-9-21-16-14(17(23)22(10-4-2)18(21)24)19-15(20-16)13(11-5-6-11)12-7-8-12/h11-13H,3-10H2,1-2H3,(H,19,20)
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3n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in guinea pig forebrain membranes using N6-[3H]cyclohexyladenosine as radioligand


J Med Chem 35: 3066-75 (1992)


Article DOI: 10.1021/jm00094a022
BindingDB Entry DOI: 10.7270/Q2DN45PF
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50003024
PNG
((8-(dicyclopropylmethyl)-1,3-dipropylxanthine)8-Di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C1CC1)C1CC1
Show InChI InChI=1S/C18H26N4O2/c1-3-9-21-16-14(17(23)22(10-4-2)18(21)24)19-15(20-16)13(11-5-6-11)12-7-8-12/h11-13H,3-10H2,1-2H3,(H,19,20)
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3n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor from guinea pig forebrain membranes by N6-[3H]- cyclohexyladenosine displacement.


J Med Chem 36: 2508-18 (1993)


Article DOI: 10.1021/jm00069a009
BindingDB Entry DOI: 10.7270/Q2GX4C5K
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50003024
PNG
((8-(dicyclopropylmethyl)-1,3-dipropylxanthine)8-Di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C1CC1)C1CC1
Show InChI InChI=1S/C18H26N4O2/c1-3-9-21-16-14(17(23)22(10-4-2)18(21)24)19-15(20-16)13(11-5-6-11)12-7-8-12/h11-13H,3-10H2,1-2H3,(H,19,20)
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3n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor using [3H]- CHA


J Med Chem 35: 407-22 (1992)


Article DOI: 10.1021/jm00081a001
BindingDB Entry DOI: 10.7270/Q2Z89D1W
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50003024
PNG
((8-(dicyclopropylmethyl)-1,3-dipropylxanthine)8-Di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C1CC1)C1CC1
Show InChI InChI=1S/C18H26N4O2/c1-3-9-21-16-14(17(23)22(10-4-2)18(21)24)19-15(20-16)13(11-5-6-11)12-7-8-12/h11-13H,3-10H2,1-2H3,(H,19,20)
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3n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes


J Med Chem 35: 924-30 (1992)


Article DOI: 10.1021/jm00083a018
BindingDB Entry DOI: 10.7270/Q2NS0VJZ
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50003024
PNG
((8-(dicyclopropylmethyl)-1,3-dipropylxanthine)8-Di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C1CC1)C1CC1
Show InChI InChI=1S/C18H26N4O2/c1-3-9-21-16-14(17(23)22(10-4-2)18(21)24)19-15(20-16)13(11-5-6-11)12-7-8-12/h11-13H,3-10H2,1-2H3,(H,19,20)
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430n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat striatal membranes using N-[3H]-ethyladenosin-5''-uronamide as radioligand in the presence of 5...


J Med Chem 35: 3066-75 (1992)


Article DOI: 10.1021/jm00094a022
BindingDB Entry DOI: 10.7270/Q2DN45PF
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50003024
PNG
((8-(dicyclopropylmethyl)-1,3-dipropylxanthine)8-Di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C1CC1)C1CC1
Show InChI InChI=1S/C18H26N4O2/c1-3-9-21-16-14(17(23)22(10-4-2)18(21)24)19-15(20-16)13(11-5-6-11)12-7-8-12/h11-13H,3-10H2,1-2H3,(H,19,20)
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0.990n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor in rat forebrain membranes using N6-[3H]cyclohexyladenosine


J Med Chem 35: 3066-75 (1992)


Article DOI: 10.1021/jm00094a022
BindingDB Entry DOI: 10.7270/Q2DN45PF
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50003024
PNG
((8-(dicyclopropylmethyl)-1,3-dipropylxanthine)8-Di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C1CC1)C1CC1
Show InChI InChI=1S/C18H26N4O2/c1-3-9-21-16-14(17(23)22(10-4-2)18(21)24)19-15(20-16)13(11-5-6-11)12-7-8-12/h11-13H,3-10H2,1-2H3,(H,19,20)
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430n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2 receptor using N-[3H]-ethyladenosin-5''-uronamide in guinea pig forebrain membranes


J Med Chem 35: 3578-81 (1992)


Article DOI: 10.1021/jm00097a016
BindingDB Entry DOI: 10.7270/Q28K781C
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50003024
PNG
((8-(dicyclopropylmethyl)-1,3-dipropylxanthine)8-Di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C1CC1)C1CC1
Show InChI InChI=1S/C18H26N4O2/c1-3-9-21-16-14(17(23)22(10-4-2)18(21)24)19-15(20-16)13(11-5-6-11)12-7-8-12/h11-13H,3-10H2,1-2H3,(H,19,20)
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430n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor using N-[3H]-ethyladenosin-5''-uronamide as radioligand in rat striatal membranes.


J Med Chem 35: 924-30 (1992)


Article DOI: 10.1021/jm00083a018
BindingDB Entry DOI: 10.7270/Q2NS0VJZ
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50003024
PNG
((8-(dicyclopropylmethyl)-1,3-dipropylxanthine)8-Di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C1CC1)C1CC1
Show InChI InChI=1S/C18H26N4O2/c1-3-9-21-16-14(17(23)22(10-4-2)18(21)24)19-15(20-16)13(11-5-6-11)12-7-8-12/h11-13H,3-10H2,1-2H3,(H,19,20)
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430n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor from guinea pig forebrain membranes by N6-[3H]- cyclohexyladenosine displacement.


J Med Chem 36: 2508-18 (1993)


Article DOI: 10.1021/jm00069a009
BindingDB Entry DOI: 10.7270/Q2GX4C5K
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50003024
PNG
((8-(dicyclopropylmethyl)-1,3-dipropylxanthine)8-Di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C1CC1)C1CC1
Show InChI InChI=1S/C18H26N4O2/c1-3-9-21-16-14(17(23)22(10-4-2)18(21)24)19-15(20-16)13(11-5-6-11)12-7-8-12/h11-13H,3-10H2,1-2H3,(H,19,20)
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430n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity carried out with [3H]5'-(N-ethylcarbamoyl)-adenosine in the presence of 50 nM cyclopentyladenosine in rat striatal membranes against...


J Med Chem 34: 466-9 (1991)


Article DOI: 10.1021/jm00105a072
BindingDB Entry DOI: 10.7270/Q2154G0Z
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50003024
PNG
((8-(dicyclopropylmethyl)-1,3-dipropylxanthine)8-Di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C1CC1)C1CC1
Show InChI InChI=1S/C18H26N4O2/c1-3-9-21-16-14(17(23)22(10-4-2)18(21)24)19-15(20-16)13(11-5-6-11)12-7-8-12/h11-13H,3-10H2,1-2H3,(H,19,20)
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Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Tested for binding affinity against Adenosine A1 receptor from rat forebrain membranes, using N6-[3H]- cyclohexyladenosine as radioligand


J Med Chem 36: 2508-18 (1993)


Article DOI: 10.1021/jm00069a009
BindingDB Entry DOI: 10.7270/Q2GX4C5K
More data for this
Ligand-Target Pair