Found 34 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM85618
(CHEMBL302765 | J1.251.181G | MRE 3008F20)Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30) | Reactome pathway
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| 0.290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara
Curated by PDSP Ki Database
| |
Mol Pharmacol 57: 968-75 (2000)
BindingDB Entry DOI: 10.7270/Q2CJ8C1K |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM85619
(1-(3-chlorophenyl)-3-[2-(furan-2-yl)-8-propyl-8H-p...)Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C20H17ClN8O2/c1-2-8-28-11-14-16(26-28)24-19(25-20(30)22-13-6-3-5-12(21)10-13)29-18(14)23-17(27-29)15-7-4-9-31-15/h3-7,9-11H,2,8H2,1H3,(H2,22,24,25,26,30) | Reactome pathway
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| 0.480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara
Curated by PDSP Ki Database
| |
Mol Pharmacol 57: 968-75 (2000)
BindingDB Entry DOI: 10.7270/Q2CJ8C1K |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM85618
(CHEMBL302765 | J1.251.181G | MRE 3008F20)Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30) | Reactome pathway
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| 0.850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara
Curated by PDSP Ki Database
| |
Mol Pharmacol 57: 968-75 (2000)
BindingDB Entry DOI: 10.7270/Q2CJ8C1K |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM85618
(CHEMBL302765 | J1.251.181G | MRE 3008F20)Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30) | Reactome pathway
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| 0.860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara
Curated by PDSP Ki Database
| |
Mol Pharmacol 57: 968-75 (2000)
BindingDB Entry DOI: 10.7270/Q2CJ8C1K |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM85619
(1-(3-chlorophenyl)-3-[2-(furan-2-yl)-8-propyl-8H-p...)Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C20H17ClN8O2/c1-2-8-28-11-14-16(26-28)24-19(25-20(30)22-13-6-3-5-12(21)10-13)29-18(14)23-17(27-29)15-7-4-9-31-15/h3-7,9-11H,2,8H2,1H3,(H2,22,24,25,26,30) | Reactome pathway
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| 0.980 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara
Curated by PDSP Ki Database
| |
Mol Pharmacol 57: 968-75 (2000)
BindingDB Entry DOI: 10.7270/Q2CJ8C1K |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50034171
(3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl...)Show SMILES CNC(=O)C1OC(C(O)C1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23) | Reactome pathway
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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara
Curated by PDSP Ki Database
| |
Mol Pharmacol 57: 968-75 (2000)
BindingDB Entry DOI: 10.7270/Q2CJ8C1K |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM85617
(MPC-NECA)Show SMILES COc1ccc(cc1)C(=O)Nc1ncnc2n(cnc12)C1OC(CCC(N)=O)C(O)C1O Show InChI InChI=1S/C20H22N6O6/c1-31-11-4-2-10(3-5-11)19(30)25-17-14-18(23-8-22-17)26(9-24-14)20-16(29)15(28)12(32-20)6-7-13(21)27/h2-5,8-9,12,15-16,20,28-29H,6-7H2,1H3,(H2,21,27)(H,22,23,25,30) | Reactome pathway
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara
Curated by PDSP Ki Database
| |
Mol Pharmacol 57: 968-75 (2000)
BindingDB Entry DOI: 10.7270/Q2CJ8C1K |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM21242
((2S,3S,4R,5R)-5-(6-{[(4-aminophenyl)methyl]amino}-...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(N)cc3)ncnc12 Show InChI InChI=1S/C18H21N7O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-2-4-10(19)5-3-9/h2-5,7-8,12-14,18,26-27H,6,19H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1 | Reactome pathway
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara
Curated by PDSP Ki Database
| |
Mol Pharmacol 57: 968-75 (2000)
BindingDB Entry DOI: 10.7270/Q2CJ8C1K |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50207816
(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1 Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25) | Reactome pathway
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| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara
Curated by PDSP Ki Database
| |
Mol Pharmacol 57: 968-75 (2000)
BindingDB Entry DOI: 10.7270/Q2CJ8C1K |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM21220
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | Reactome pathway
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| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara
Curated by PDSP Ki Database
| |
Mol Pharmacol 57: 968-75 (2000)
BindingDB Entry DOI: 10.7270/Q2CJ8C1K |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50207816
(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1 Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25) | Reactome pathway
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| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara
Curated by PDSP Ki Database
| |
Mol Pharmacol 57: 968-75 (2000)
BindingDB Entry DOI: 10.7270/Q2CJ8C1K |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50004566
(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinaz...)Show InChI InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16) | Reactome pathway
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| 65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara
Curated by PDSP Ki Database
| |
Mol Pharmacol 57: 968-75 (2000)
BindingDB Entry DOI: 10.7270/Q2CJ8C1K |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50006730
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23) | Reactome pathway
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| 75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara
Curated by PDSP Ki Database
| |
Mol Pharmacol 57: 968-75 (2000)
BindingDB Entry DOI: 10.7270/Q2CJ8C1K |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50034171
(3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl...)Show SMILES CNC(=O)C1OC(C(O)C1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23) | Reactome pathway
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| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara
Curated by PDSP Ki Database
| |
Mol Pharmacol 57: 968-75 (2000)
BindingDB Entry DOI: 10.7270/Q2CJ8C1K |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50004566
(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinaz...)Show InChI InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16) | Reactome pathway
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| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara
Curated by PDSP Ki Database
| |
Mol Pharmacol 57: 968-75 (2000)
BindingDB Entry DOI: 10.7270/Q2CJ8C1K |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM85618
(CHEMBL302765 | J1.251.181G | MRE 3008F20)Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30) | PDB
MMDB
NCI pathway
Reactome pathway
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| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara
Curated by PDSP Ki Database
| |
Mol Pharmacol 57: 968-75 (2000)
BindingDB Entry DOI: 10.7270/Q2CJ8C1K |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM85620
(MPC-MECA)Show SMILES COc1ccc(cc1)C(=O)Nc1ncnc2n(cnc12)C1OC(CC(N)=O)C(O)C1O Show InChI InChI=1S/C19H20N6O6/c1-30-10-4-2-9(3-5-10)18(29)24-16-13-17(22-7-21-16)25(8-23-13)19-15(28)14(27)11(31-19)6-12(20)26/h2-5,7-8,11,14-15,19,27-28H,6H2,1H3,(H2,20,26)(H,21,22,24,29) | Reactome pathway
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| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara
Curated by PDSP Ki Database
| |
Mol Pharmacol 57: 968-75 (2000)
BindingDB Entry DOI: 10.7270/Q2CJ8C1K |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM85617
(MPC-NECA)Show SMILES COc1ccc(cc1)C(=O)Nc1ncnc2n(cnc12)C1OC(CCC(N)=O)C(O)C1O Show InChI InChI=1S/C20H22N6O6/c1-31-11-4-2-10(3-5-11)19(30)25-17-14-18(23-8-22-17)26(9-24-14)20-16(29)15(28)12(32-20)6-7-13(21)27/h2-5,8-9,12,15-16,20,28-29H,6-7H2,1H3,(H2,21,27)(H,22,23,25,30) | Reactome pathway
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| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara
Curated by PDSP Ki Database
| |
Mol Pharmacol 57: 968-75 (2000)
BindingDB Entry DOI: 10.7270/Q2CJ8C1K |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM21242
((2S,3S,4R,5R)-5-(6-{[(4-aminophenyl)methyl]amino}-...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(N)cc3)ncnc12 Show InChI InChI=1S/C18H21N7O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-2-4-10(19)5-3-9/h2-5,7-8,12-14,18,26-27H,6,19H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1 | Reactome pathway
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| 435 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara
Curated by PDSP Ki Database
| |
Mol Pharmacol 57: 968-75 (2000)
BindingDB Entry DOI: 10.7270/Q2CJ8C1K |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50006730
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23) | Reactome pathway
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| 520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara
Curated by PDSP Ki Database
| |
Mol Pharmacol 57: 968-75 (2000)
BindingDB Entry DOI: 10.7270/Q2CJ8C1K |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM35804
((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 Show InChI InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1 | Reactome pathway
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| 980 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara
Curated by PDSP Ki Database
| |
Mol Pharmacol 57: 968-75 (2000)
BindingDB Entry DOI: 10.7270/Q2CJ8C1K |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM21173
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) | Reactome pathway
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| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara
Curated by PDSP Ki Database
| |
Mol Pharmacol 57: 968-75 (2000)
BindingDB Entry DOI: 10.7270/Q2CJ8C1K |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM21173
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) | Reactome pathway
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| 1.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara
Curated by PDSP Ki Database
| |
Mol Pharmacol 57: 968-75 (2000)
BindingDB Entry DOI: 10.7270/Q2CJ8C1K |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM21220
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | Reactome pathway
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| 1.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara
Curated by PDSP Ki Database
| |
Mol Pharmacol 57: 968-75 (2000)
BindingDB Entry DOI: 10.7270/Q2CJ8C1K |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM85618
(CHEMBL302765 | J1.251.181G | MRE 3008F20)Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30) | PDB
MMDB
Reactome pathway
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| 1.99E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara
Curated by PDSP Ki Database
| |
Mol Pharmacol 57: 968-75 (2000)
BindingDB Entry DOI: 10.7270/Q2CJ8C1K |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM85618
(CHEMBL302765 | J1.251.181G | MRE 3008F20)Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30) | PDB
NCI pathway
Reactome pathway
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| 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara
Curated by PDSP Ki Database
| |
Mol Pharmacol 57: 968-75 (2000)
BindingDB Entry DOI: 10.7270/Q2CJ8C1K |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50006730
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23) | Reactome pathway
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| 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara
Curated by PDSP Ki Database
| |
Mol Pharmacol 57: 968-75 (2000)
BindingDB Entry DOI: 10.7270/Q2CJ8C1K |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM85620
(MPC-MECA)Show SMILES COc1ccc(cc1)C(=O)Nc1ncnc2n(cnc12)C1OC(CC(N)=O)C(O)C1O Show InChI InChI=1S/C19H20N6O6/c1-30-10-4-2-9(3-5-10)18(29)24-16-13-17(22-7-21-16)25(8-23-13)19-15(28)14(27)11(31-19)6-12(20)26/h2-5,7-8,11,14-15,19,27-28H,6H2,1H3,(H2,20,26)(H,21,22,24,29) | Reactome pathway
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| 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara
Curated by PDSP Ki Database
| |
Mol Pharmacol 57: 968-75 (2000)
BindingDB Entry DOI: 10.7270/Q2CJ8C1K |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50006730
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23) | Reactome pathway
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara
Curated by PDSP Ki Database
| |
Mol Pharmacol 57: 968-75 (2000)
BindingDB Entry DOI: 10.7270/Q2CJ8C1K |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM85618
(CHEMBL302765 | J1.251.181G | MRE 3008F20)Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30) | PDB
Reactome pathway
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University of Ferrara
Curated by PDSP Ki Database
| |
Mol Pharmacol 57: 968-75 (2000)
BindingDB Entry DOI: 10.7270/Q2CJ8C1K |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50048466
(2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,...)Show InChI InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22) | Reactome pathway
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University of Ferrara
Curated by PDSP Ki Database
| |
Mol Pharmacol 57: 968-75 (2000)
BindingDB Entry DOI: 10.7270/Q2CJ8C1K |
More data for this
Ligand-Target Pair | |
Transmembrane and immunoglobulin domain-containing 3
(RAT) | BDBM85618
(CHEMBL302765 | J1.251.181G | MRE 3008F20)Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30) | KEGG
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara
Curated by PDSP Ki Database
| |
Mol Pharmacol 57: 968-75 (2000)
BindingDB Entry DOI: 10.7270/Q2CJ8C1K |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50048466
(2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,...)Show InChI InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22) | Reactome pathway
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara
Curated by PDSP Ki Database
| |
Mol Pharmacol 57: 968-75 (2000)
BindingDB Entry DOI: 10.7270/Q2CJ8C1K |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM35804
((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 Show InChI InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1 | Reactome pathway
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara
Curated by PDSP Ki Database
| |
Mol Pharmacol 57: 968-75 (2000)
BindingDB Entry DOI: 10.7270/Q2CJ8C1K |
More data for this
Ligand-Target Pair | |
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