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PubMed code 11101355

Compile data set for download or QSAR
Found 26 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50014295
PNG
(5,6-Dimethyl-2-phenyl-7-((R)-1-phenyl-ethyl)-7H-py...)
Show SMILES C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccccc1
Show InChI InChI=1S/C22H22N4/c1-14-15(2)26(16(3)17-10-6-4-7-11-17)22-19(14)20(23)24-21(25-22)18-12-8-5-9-13-18/h4-13,16H,1-3H3,(H2,23,24,25)/t16-/m1/s1
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 4.70n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Tested for its binding affinity at adenosine A1 receptor in rat brain cortical membrane preparations using [3H]-CCPA as a radioligand

J Med Chem 43: 4636-46 (2001)


BindingDB Entry DOI: 10.7270/Q2SB450S
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50051653
PNG
((5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-...)
Show SMILES C[C@@H](Nc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H22N4/c1-14-15(2)23-21-19(14)22(24-16(3)17-10-6-4-7-11-17)26-20(25-21)18-12-8-5-9-13-18/h4-13,16H,1-3H3,(H2,23,24,25,26)/t16-/m1/s1
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 6.70n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Tested for its binding affinity at adenosine A1 receptor in rat brain cortical membrane preparations using [3H]-CCPA as a radioligand

J Med Chem 43: 4636-46 (2001)


BindingDB Entry DOI: 10.7270/Q2SB450S
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50094591
PNG
(5,6-Dimethyl-7-(1-phenyl-ethyl)-2-pyridin-4-yl-7H-...)
Show SMILES C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccncc1
Show InChI InChI=1S/C21H21N5/c1-13-14(2)26(15(3)16-7-5-4-6-8-16)21-18(13)19(22)24-20(25-21)17-9-11-23-12-10-17/h4-12,15H,1-3H3,(H2,22,24,25)/t15-/m1/s1
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 8.80n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor expressed in CHO cells using [3H]-CCPA

J Med Chem 43: 4636-46 (2001)


BindingDB Entry DOI: 10.7270/Q2SB450S
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50094599
PNG
(2-Furan-2-yl-5,6-dimethyl-7-(1-phenyl-ethyl)-7H-py...)
Show SMILES C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccco1
Show InChI InChI=1S/C20H20N4O/c1-12-13(2)24(14(3)15-8-5-4-6-9-15)20-17(12)18(21)22-19(23-20)16-10-7-11-25-16/h4-11,14H,1-3H3,(H2,21,22,23)/t14-/m1/s1
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 16n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Tested for its binding affinity at adenosine A1 receptor in rat brain cortical membrane preparations using [3H]-CCPA as a radioligand

J Med Chem 43: 4636-46 (2001)


BindingDB Entry DOI: 10.7270/Q2SB450S
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50094589
PNG
(5,6-Dimethyl-7-(1-phenyl-ethyl)-2-thiophen-2-yl-7H...)
Show SMILES C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1cccs1
Show InChI InChI=1S/C20H20N4S/c1-12-13(2)24(14(3)15-8-5-4-6-9-15)20-17(12)18(21)22-19(23-20)16-10-7-11-25-16/h4-11,14H,1-3H3,(H2,21,22,23)/t14-/m1/s1
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 19n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Tested for its binding affinity at adenosine A1 receptor in rat brain cortical membrane preparations using [3H]-CCPA as a radioligand

J Med Chem 43: 4636-46 (2001)


BindingDB Entry DOI: 10.7270/Q2SB450S
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50094591
PNG
(5,6-Dimethyl-7-(1-phenyl-ethyl)-2-pyridin-4-yl-7H-...)
Show SMILES C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccncc1
Show InChI InChI=1S/C21H21N5/c1-13-14(2)26(15(3)16-7-5-4-6-8-16)21-18(13)19(22)24-20(25-21)17-9-11-23-12-10-17/h4-12,15H,1-3H3,(H2,22,24,25)/t15-/m1/s1
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 46n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Tested for its binding affinity at adenosine A1 receptor in rat brain cortical membrane preparations using [3H]-CCPA as a radioligand

J Med Chem 43: 4636-46 (2001)


BindingDB Entry DOI: 10.7270/Q2SB450S
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50094587
PNG
(2-[4-Amino-5,6-dimethyl-7-(1-phenyl-ethyl)-7H-pyrr...)
Show SMILES C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccccc1O
Show InChI InChI=1S/C22H22N4O/c1-13-14(2)26(15(3)16-9-5-4-6-10-16)22-19(13)20(23)24-21(25-22)17-11-7-8-12-18(17)27/h4-12,15,27H,1-3H3,(H2,23,24,25)/t15-/m1/s1
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 240n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Tested for its binding affinity at adenosine A1 receptor in rat brain cortical membrane preparations using [3H]-CCPA as a radioligand

J Med Chem 43: 4636-46 (2001)


BindingDB Entry DOI: 10.7270/Q2SB450S
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50094594
PNG
(5,6-Dimethyl-2-(1-oxy-pyridin-4-yl)-7-(1-phenyl-et...)
Show SMILES C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1cc[n+]([O-])cc1
Show InChI InChI=1S/C21H21N5O/c1-13-14(2)26(15(3)16-7-5-4-6-8-16)21-18(13)19(22)23-20(24-21)17-9-11-25(27)12-10-17/h4-12,15H,1-3H3,(H2,22,23,24)/t15-/m1/s1
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 490n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Tested for its binding affinity at adenosine A1 receptor in rat brain cortical membrane preparations using [3H]-CCPA as a radioligand

J Med Chem 43: 4636-46 (2001)


BindingDB Entry DOI: 10.7270/Q2SB450S
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50094599
PNG
(2-Furan-2-yl-5,6-dimethyl-7-(1-phenyl-ethyl)-7H-py...)
Show SMILES C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccco1
Show InChI InChI=1S/C20H20N4O/c1-12-13(2)24(14(3)15-8-5-4-6-9-15)20-17(12)18(21)22-19(23-20)16-10-7-11-25-16/h4-11,14H,1-3H3,(H2,21,22,23)/t14-/m1/s1
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 490n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Binding affinity at adenosine A2A receptor in rat striatal membrane preparations using [3H]-CGS-21,680 at a 30 uM

J Med Chem 43: 4636-46 (2001)


BindingDB Entry DOI: 10.7270/Q2SB450S
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50094603
PNG
(9-(1-Phenyl-ethyl)-2-pyridin-2-yl-9H-1,3,9-triaza-...)
Show SMILES C[C@@H](c1ccccc1)n1c2ccccc2c2c(N)nc(nc12)-c1ccccn1
Show InChI InChI=1S/C23H19N5/c1-15(16-9-3-2-4-10-16)28-19-13-6-5-11-17(19)20-21(24)26-22(27-23(20)28)18-12-7-8-14-25-18/h2-15H,1H3,(H2,24,26,27)/t15-/m0/s1
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 540n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Tested for its binding affinity at adenosine A1 receptor in rat brain cortical membrane preparations using [3H]-CCPA as a radioligand

J Med Chem 43: 4636-46 (2001)


BindingDB Entry DOI: 10.7270/Q2SB450S
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50094595
PNG
(5,6-Dimethyl-7-(1-phenyl-ethyl)-2-pyrazin-2-yl-7H-...)
Show SMILES C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1cnccn1
Show InChI InChI=1S/C20H20N6/c1-12-13(2)26(14(3)15-7-5-4-6-8-15)20-17(12)18(21)24-19(25-20)16-11-22-9-10-23-16/h4-11,14H,1-3H3,(H2,21,24,25)/t14-/m1/s1
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 560n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Tested for its binding affinity at adenosine A1 receptor in rat brain cortical membrane preparations using [3H]-CCPA as a radioligand

J Med Chem 43: 4636-46 (2001)


BindingDB Entry DOI: 10.7270/Q2SB450S
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50094601
PNG
(2-[2-(4-Chloro-phenyl)-5,6-dimethyl-7-(1-phenyl-et...)
Show SMILES CCC(CO)Nc1nc(nc2n([C@H](C)c3ccccc3)c(C)c(C)c12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H29ClN4O/c1-5-22(15-32)28-25-23-16(2)17(3)31(18(4)19-9-7-6-8-10-19)26(23)30-24(29-25)20-11-13-21(27)14-12-20/h6-14,18,22,32H,5,15H2,1-4H3,(H,28,29,30)/t18-,22?/m1/s1
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 570n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Binding affinity against human adenosine A3 receptor using [3H]-NECA at 30 uM

J Med Chem 43: 4636-46 (2001)


BindingDB Entry DOI: 10.7270/Q2SB450S
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50094592
PNG
(9-Phenyl-2-pyridin-4-yl-6,7,8,9-tetrahydro-5H-1,3,...)
Show SMILES Nc1nc(nc2n(c3CCCCc3c12)-c1ccccc1)-c1ccncc1
Show InChI InChI=1S/C21H19N5/c22-19-18-16-8-4-5-9-17(16)26(15-6-2-1-3-7-15)21(18)25-20(24-19)14-10-12-23-13-11-14/h1-3,6-7,10-13H,4-5,8-9H2,(H2,22,24,25)
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 600n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Tested for its binding affinity at adenosine A1 receptor in rat brain cortical membrane preparations using [3H]-CCPA as a radioligand

J Med Chem 43: 4636-46 (2001)


BindingDB Entry DOI: 10.7270/Q2SB450S
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50094598
PNG
(2-(7-Cyclopentyl-5,6-dimethyl-2-phenyl-7H-pyrrolo[...)
Show SMILES CCC(CO)Nc1nc(nc2n(C3CCCC3)c(C)c(C)c12)-c1ccccc1
Show InChI InChI=1S/C23H30N4O/c1-4-18(14-28)24-22-20-15(2)16(3)27(19-12-8-9-13-19)23(20)26-21(25-22)17-10-6-5-7-11-17/h5-7,10-11,18-19,28H,4,8-9,12-14H2,1-3H3,(H,24,25,26)
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 1.24E+3n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Tested for its binding affinity at adenosine A1 receptor in rat brain cortical membrane preparations using [3H]-CCPA as a radioligand

J Med Chem 43: 4636-46 (2001)


BindingDB Entry DOI: 10.7270/Q2SB450S
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50094591
PNG
(5,6-Dimethyl-7-(1-phenyl-ethyl)-2-pyridin-4-yl-7H-...)
Show SMILES C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccncc1
Show InChI InChI=1S/C21H21N5/c1-13-14(2)26(15(3)16-7-5-4-6-8-16)21-18(13)19(22)24-20(25-21)17-9-11-23-12-10-17/h4-12,15H,1-3H3,(H2,22,24,25)/t15-/m1/s1
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 1.30E+3n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Binding affinity at adenosine A2A receptor in rat striatal membrane preparations using [3H]-CGS-21,680 at a 30 uM

J Med Chem 43: 4636-46 (2001)


BindingDB Entry DOI: 10.7270/Q2SB450S
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50094598
PNG
(2-(7-Cyclopentyl-5,6-dimethyl-2-phenyl-7H-pyrrolo[...)
Show SMILES CCC(CO)Nc1nc(nc2n(C3CCCC3)c(C)c(C)c12)-c1ccccc1
Show InChI InChI=1S/C23H30N4O/c1-4-18(14-28)24-22-20-15(2)16(3)27(19-12-8-9-13-19)23(20)26-21(25-22)17-10-6-5-7-11-17/h5-7,10-11,18-19,28H,4,8-9,12-14H2,1-3H3,(H,24,25,26)
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 1.87E+3n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Binding affinity against human adenosine A3 receptor using [3H]-NECA at 30 uM

J Med Chem 43: 4636-46 (2001)


BindingDB Entry DOI: 10.7270/Q2SB450S
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50094604
PNG
(5,6-Dimethyl-7-(1-phenyl-ethyl)-2-pyridin-2-yl-7H-...)
Show SMILES C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccccn1
Show InChI InChI=1S/C21H21N5/c1-13-14(2)26(15(3)16-9-5-4-6-10-16)21-18(13)19(22)24-20(25-21)17-11-7-8-12-23-17/h4-12,15H,1-3H3,(H2,22,24,25)/t15-/m1/s1
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 2.10E+3n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Tested for its binding affinity at adenosine A1 receptor in rat brain cortical membrane preparations using [3H]-CCPA as a radioligand

J Med Chem 43: 4636-46 (2001)


BindingDB Entry DOI: 10.7270/Q2SB450S
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50094601
PNG
(2-[2-(4-Chloro-phenyl)-5,6-dimethyl-7-(1-phenyl-et...)
Show SMILES CCC(CO)Nc1nc(nc2n([C@H](C)c3ccccc3)c(C)c(C)c12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H29ClN4O/c1-5-22(15-32)28-25-23-16(2)17(3)31(18(4)19-9-7-6-8-10-19)26(23)30-24(29-25)20-11-13-21(27)14-12-20/h6-14,18,22,32H,5,15H2,1-4H3,(H,28,29,30)/t18-,22?/m1/s1
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 2.60E+3n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Tested for its binding affinity at adenosine A1 receptor in rat brain cortical membrane preparations using [3H]-CCPA as a radioligand

J Med Chem 43: 4636-46 (2001)


BindingDB Entry DOI: 10.7270/Q2SB450S
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50014295
PNG
(5,6-Dimethyl-2-phenyl-7-((R)-1-phenyl-ethyl)-7H-py...)
Show SMILES C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccccc1
Show InChI InChI=1S/C22H22N4/c1-14-15(2)26(16(3)17-10-6-4-7-11-17)22-19(14)20(23)24-21(25-22)18-12-8-5-9-13-18/h4-13,16H,1-3H3,(H2,23,24,25)/t16-/m1/s1
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 3.71E+3n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor in rat striatal membrane preparations using [3H]-CGS-21,680 at 10 uM

J Med Chem 43: 4636-46 (2001)


BindingDB Entry DOI: 10.7270/Q2SB450S
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50094589
PNG
(5,6-Dimethyl-7-(1-phenyl-ethyl)-2-thiophen-2-yl-7H...)
Show SMILES C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1cccs1
Show InChI InChI=1S/C20H20N4S/c1-12-13(2)24(14(3)15-8-5-4-6-9-15)20-17(12)18(21)22-19(23-20)16-10-7-11-25-16/h4-11,14H,1-3H3,(H2,21,22,23)/t14-/m1/s1
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 5.40E+3n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Binding affinity at adenosine A2A receptor in rat striatal membrane preparations using [3H]-CGS-21,680 at a 30 uM

J Med Chem 43: 4636-46 (2001)


BindingDB Entry DOI: 10.7270/Q2SB450S
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50094594
PNG
(5,6-Dimethyl-2-(1-oxy-pyridin-4-yl)-7-(1-phenyl-et...)
Show SMILES C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1cc[n+]([O-])cc1
Show InChI InChI=1S/C21H21N5O/c1-13-14(2)26(15(3)16-7-5-4-6-8-16)21-18(13)19(22)23-20(24-21)17-9-11-25(27)12-10-17/h4-12,15H,1-3H3,(H2,22,23,24)/t15-/m1/s1
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 5.90E+3n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Binding affinity at adenosine A2A receptor in rat striatal membrane preparations using [3H]-CGS-21,680 at a 30 uM

J Med Chem 43: 4636-46 (2001)


BindingDB Entry DOI: 10.7270/Q2SB450S
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50094595
PNG
(5,6-Dimethyl-7-(1-phenyl-ethyl)-2-pyrazin-2-yl-7H-...)
Show SMILES C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1cnccn1
Show InChI InChI=1S/C20H20N6/c1-12-13(2)26(14(3)15-7-5-4-6-8-15)20-17(12)18(21)24-19(25-20)16-11-22-9-10-23-16/h4-11,14H,1-3H3,(H2,21,24,25)/t14-/m1/s1
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 6.60E+3n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Binding affinity at adenosine A2A receptor in rat striatal membrane preparations using [3H]-CGS-21,680 at a 30 uM

J Med Chem 43: 4636-46 (2001)


BindingDB Entry DOI: 10.7270/Q2SB450S
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50094585
PNG
(5,6-Dimethyl-2-(1-phenyl-ethyl)-7H-pyrrolo[2,3-d]p...)
Show SMILES CC(c1ccccc1)c1nc(N)c2c(C)c(C)[nH]c2n1
Show InChI InChI=1S/C16H18N4/c1-9-11(3)18-16-13(9)14(17)19-15(20-16)10(2)12-7-5-4-6-8-12/h4-8,10H,1-3H3,(H3,17,18,19,20)
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 6.84E+3n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Tested for its binding affinity at adenosine A1 receptor in rat brain cortical membrane preparations using [3H]-CCPA as a radioligand

J Med Chem 43: 4636-46 (2001)


BindingDB Entry DOI: 10.7270/Q2SB450S
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50094586
PNG
(9-(1-Phenyl-ethyl)-2-pyridin-2-yl-6,7,8,9-tetrahyd...)
Show SMILES C[C@@H](c1ccccc1)n1c2CCCCc2c2c(N)nc(nc12)-c1ccccn1
Show InChI InChI=1S/C23H23N5/c1-15(16-9-3-2-4-10-16)28-19-13-6-5-11-17(19)20-21(24)26-22(27-23(20)28)18-12-7-8-14-25-18/h2-4,7-10,12,14-15H,5-6,11,13H2,1H3,(H2,24,26,27)/t15-/m0/s1
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 6.84E+3n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Tested for its binding affinity at adenosine A1 receptor in rat brain cortical membrane preparations using [3H]-CCPA as a radioligand

J Med Chem 43: 4636-46 (2001)


BindingDB Entry DOI: 10.7270/Q2SB450S
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50094593
PNG
(9-Phenyl-2-pyridin-3-yl-6,7,8,9-tetrahydro-5H-1,3,...)
Show SMILES Nc1nc(nc2n(c3CCCCc3c12)-c1ccccc1)-c1cccnc1
Show InChI InChI=1S/C21H19N5/c22-19-18-16-10-4-5-11-17(16)26(15-8-2-1-3-9-15)21(18)25-20(24-19)14-7-6-12-23-13-14/h1-3,6-9,12-13H,4-5,10-11H2,(H2,22,24,25)
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 7.90E+3n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Tested for its binding affinity at adenosine A1 receptor in rat brain cortical membrane preparations using [3H]-CCPA as a radioligand

J Med Chem 43: 4636-46 (2001)


BindingDB Entry DOI: 10.7270/Q2SB450S
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50094584
PNG
(9-Phenyl-2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-1,3,...)
Show SMILES Nc1nc(nc2n(c3CCCCc3c12)-c1ccccc1)-c1ccccn1
Show InChI InChI=1S/C21H19N5/c22-19-18-15-10-4-5-12-17(15)26(14-8-2-1-3-9-14)21(18)25-20(24-19)16-11-6-7-13-23-16/h1-3,6-9,11,13H,4-5,10,12H2,(H2,22,24,25)
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 8.90E+3n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Tested for its binding affinity at adenosine A1 receptor in rat brain cortical membrane preparations using [3H]-CCPA as a radioligand

J Med Chem 43: 4636-46 (2001)


BindingDB Entry DOI: 10.7270/Q2SB450S
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%