Found 50 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)) | BDBM50041905
(5-[6-Amino-2-(3-hydroxy-3-phenyl-prop-1-ynyl)-puri...)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CC(O)c1ccccc1 Show InChI InChI=1S/C21H22N6O5/c1-2-23-20(31)17-15(29)16(30)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)9-8-12(28)11-6-4-3-5-7-11/h3-7,10,12,15-17,21,28-30H,2H2,1H3,(H,23,31)(H2,22,25,26) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM85523
(6S, (S)-PHPNECA)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#C[C@H](O)c1ccccc1 |r| Show InChI InChI=1S/C21H22N6O5/c1-2-23-20(31)17-15(29)16(30)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)9-8-12(28)11-6-4-3-5-7-11/h3-7,10,12,15-17,21,28-30H,2H2,1H3,(H,23,31)(H2,22,25,26)/t12-,15?,16?,17?,21?/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50041906
(2-substituted NECA derivatives, 5 | 5-[6-Amino-2-(...)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CC(C)O Show InChI InChI=1S/C16H20N6O5/c1-3-18-15(26)12-10(24)11(25)16(27-12)22-6-19-9-13(17)20-8(21-14(9)22)5-4-7(2)23/h6-7,10-12,16,23-25H,3H2,1-2H3,(H,18,26)(H2,17,20,21) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50208801
((2S,3S,4R,5R)-5-(6-amino-2-((S)-3-hydroxy-3-phenyl...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#C[C@@H](O)c1ccccc1 Show InChI InChI=1S/C21H22N6O5/c1-2-23-20(31)17-15(29)16(30)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)9-8-12(28)11-6-4-3-5-7-11/h3-7,10,12,15-17,21,28-30H,2H2,1H3,(H,23,31)(H2,22,25,26)/t12-,15+,16-,17+,21-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM85523
(6S, (S)-PHPNECA)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#C[C@H](O)c1ccccc1 |r| Show InChI InChI=1S/C21H22N6O5/c1-2-23-20(31)17-15(29)16(30)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)9-8-12(28)11-6-4-3-5-7-11/h3-7,10,12,15-17,21,28-30H,2H2,1H3,(H,23,31)(H2,22,25,26)/t12-,15?,16?,17?,21?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM85523
(6S, (S)-PHPNECA)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#C[C@H](O)c1ccccc1 |r| Show InChI InChI=1S/C21H22N6O5/c1-2-23-20(31)17-15(29)16(30)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)9-8-12(28)11-6-4-3-5-7-11/h3-7,10,12,15-17,21,28-30H,2H2,1H3,(H,23,31)(H2,22,25,26)/t12-,15?,16?,17?,21?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50041912
(2-substituted NECA derivatives, 7 | 5-[6-Amino-2-(...)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CC(C)(O)c1ccccc1 Show InChI InChI=1S/C22H24N6O5/c1-3-24-20(31)17-15(29)16(30)21(33-17)28-11-25-14-18(23)26-13(27-19(14)28)9-10-22(2,32)12-7-5-4-6-8-12/h4-8,11,15-17,21,29-30,32H,3H2,1-2H3,(H,24,31)(H2,23,26,27) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50004461
((2S,3R,5R)-5-[6-amino-2-(hex-1-yn-1-yl)-9H-purin-9...)Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@H](O)C3O)C(=O)NCC)c2n1 Show InChI InChI=1S/C18H24N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h9,12-14,18,25-26H,3-6H2,1-2H3,(H,20,27)(H2,19,22,23)/t12-,13?,14+,18-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50041905
(5-[6-Amino-2-(3-hydroxy-3-phenyl-prop-1-ynyl)-puri...)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CC(O)c1ccccc1 Show InChI InChI=1S/C21H22N6O5/c1-2-23-20(31)17-15(29)16(30)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)9-8-12(28)11-6-4-3-5-7-11/h3-7,10,12,15-17,21,28-30H,2H2,1H3,(H,23,31)(H2,22,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50041905
(5-[6-Amino-2-(3-hydroxy-3-phenyl-prop-1-ynyl)-puri...)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CC(O)c1ccccc1 Show InChI InChI=1S/C21H22N6O5/c1-2-23-20(31)17-15(29)16(30)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)9-8-12(28)11-6-4-3-5-7-11/h3-7,10,12,15-17,21,28-30H,2H2,1H3,(H,23,31)(H2,22,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50041906
(2-substituted NECA derivatives, 5 | 5-[6-Amino-2-(...)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CC(C)O Show InChI InChI=1S/C16H20N6O5/c1-3-18-15(26)12-10(24)11(25)16(27-12)22-6-19-9-13(17)20-8(21-14(9)22)5-4-7(2)23/h6-7,10-12,16,23-25H,3H2,1-2H3,(H,18,26)(H2,17,20,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50034533
(2-substituted NECA derivatives, 11 | 5-(6-Amino-2-...)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#Cc1nccs1 Show InChI InChI=1S/C17H17N7O4S/c1-2-19-16(27)13-11(25)12(26)17(28-13)24-7-21-10-14(18)22-8(23-15(10)24)3-4-9-20-5-6-29-9/h5-7,11-13,17,25-26H,2H2,1H3,(H,19,27)(H2,18,22,23) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50041895
(2-substituted NECA derivatives, 4 | 5-[6-Amino-2-(...)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CCC(C)O Show InChI InChI=1S/C17H22N6O5/c1-3-19-16(27)13-11(25)12(26)17(28-13)23-7-20-10-14(18)21-9(22-15(10)23)6-4-5-8(2)24/h7-8,11-13,17,24-26H,3,5H2,1-2H3,(H,19,27)(H2,18,21,22) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50041901
(2-substituted NECA derivatives, 2 | 5-[6-Amino-2-(...)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CCCCC#N Show InChI InChI=1S/C18H21N7O4/c1-2-21-17(28)14-12(26)13(27)18(29-14)25-9-22-11-15(20)23-10(24-16(11)25)7-5-3-4-6-8-19/h9,12-14,18,26-27H,2-4,6H2,1H3,(H,21,28)(H2,20,23,24) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50208801
((2S,3S,4R,5R)-5-(6-amino-2-((S)-3-hydroxy-3-phenyl...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#C[C@@H](O)c1ccccc1 Show InChI InChI=1S/C21H22N6O5/c1-2-23-20(31)17-15(29)16(30)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)9-8-12(28)11-6-4-3-5-7-11/h3-7,10,12,15-17,21,28-30H,2H2,1H3,(H,23,31)(H2,22,25,26)/t12-,15+,16-,17+,21-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50034531
(5-(6-Amino-2-phenylethynyl-purin-9-yl)-3,4-dihydro...)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#Cc1ccccc1 Show InChI InChI=1S/C20H20N6O4/c1-2-22-19(29)16-14(27)15(28)20(30-16)26-10-23-13-17(21)24-12(25-18(13)26)9-8-11-6-4-3-5-7-11/h3-7,10,14-16,20,27-28H,2H2,1H3,(H,22,29)(H2,21,24,25) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50004461
((2S,3R,5R)-5-[6-amino-2-(hex-1-yn-1-yl)-9H-purin-9...)Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@H](O)C3O)C(=O)NCC)c2n1 Show InChI InChI=1S/C18H24N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h9,12-14,18,25-26H,3-6H2,1-2H3,(H,20,27)(H2,19,22,23)/t12-,13?,14+,18-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM85524
(2-substituted NECA derivatives, 8)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CCOc1ccccc1 Show InChI InChI=1S/C21H22N6O5/c1-2-23-20(30)17-15(28)16(29)21(32-17)27-11-24-14-18(22)25-13(26-19(14)27)9-6-10-31-12-7-4-3-5-8-12/h3-5,7-8,11,15-17,21,28-29H,2,10H2,1H3,(H,23,30)(H2,22,25,26) | PDB
Reactome pathway
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50034536
(2-substituted NECA derivatives, 13 | 5-[6-Amino-2-...)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(cc1)C(N)=O Show InChI InChI=1S/C21H21N7O5/c1-2-24-20(32)16-14(29)15(30)21(33-16)28-9-25-13-17(22)26-12(27-19(13)28)8-5-10-3-6-11(7-4-10)18(23)31/h3-4,6-7,9,14-16,21,29-30H,2H2,1H3,(H2,23,31)(H,24,32)(H2,22,26,27) | Reactome pathway
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| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50041912
(2-substituted NECA derivatives, 7 | 5-[6-Amino-2-(...)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CC(C)(O)c1ccccc1 Show InChI InChI=1S/C22H24N6O5/c1-3-24-20(31)17-15(29)16(30)21(33-17)28-11-25-14-18(23)26-13(27-19(14)28)9-10-22(2,32)12-7-5-4-6-8-12/h4-8,11,15-17,21,29-30,32H,3H2,1-2H3,(H,24,31)(H2,23,26,27) | PDB
Reactome pathway
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| 9.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50034540
(2-substituted NECA derivatives, 10 | 5-(6-Amino-2-...)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#Cc1ccco1 Show InChI InChI=1S/C18H18N6O5/c1-2-20-17(27)14-12(25)13(26)18(29-14)24-8-21-11-15(19)22-10(23-16(11)24)6-5-9-4-3-7-28-9/h3-4,7-8,12-14,18,25-26H,2H2,1H3,(H,20,27)(H2,19,22,23) | Reactome pathway
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50034533
(2-substituted NECA derivatives, 11 | 5-(6-Amino-2-...)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#Cc1nccs1 Show InChI InChI=1S/C17H17N7O4S/c1-2-19-16(27)13-11(25)12(26)17(28-13)24-7-21-10-14(18)22-8(23-15(10)24)3-4-9-20-5-6-29-9/h5-7,11-13,17,25-26H,2H2,1H3,(H,19,27)(H2,18,22,23) | PDB
Reactome pathway
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(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 | PDB
Reactome pathway
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50041906
(2-substituted NECA derivatives, 5 | 5-[6-Amino-2-(...)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CC(C)O Show InChI InChI=1S/C16H20N6O5/c1-3-18-15(26)12-10(24)11(25)16(27-12)22-6-19-9-13(17)20-8(21-14(9)22)5-4-7(2)23/h6-7,10-12,16,23-25H,3H2,1-2H3,(H,18,26)(H2,17,20,21) | PDB
MMDB
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50041895
(2-substituted NECA derivatives, 4 | 5-[6-Amino-2-(...)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CCC(C)O Show InChI InChI=1S/C17H22N6O5/c1-3-19-16(27)13-11(25)12(26)17(28-13)23-7-20-10-14(18)21-9(22-15(10)23)6-4-5-8(2)24/h7-8,11-13,17,24-26H,3,5H2,1-2H3,(H,19,27)(H2,18,21,22) | PDB
MMDB
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM85524
(2-substituted NECA derivatives, 8)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CCOc1ccccc1 Show InChI InChI=1S/C21H22N6O5/c1-2-23-20(30)17-15(28)16(29)21(32-17)27-11-24-14-18(22)25-13(26-19(14)27)9-6-10-31-12-7-4-3-5-8-12/h3-5,7-8,11,15-17,21,28-29H,2,10H2,1H3,(H,23,30)(H2,22,25,26) | Reactome pathway
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(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 | PDB
MMDB
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Article
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50041901
(2-substituted NECA derivatives, 2 | 5-[6-Amino-2-(...)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CCCCC#N Show InChI InChI=1S/C18H21N7O4/c1-2-21-17(28)14-12(26)13(27)18(29-14)25-9-22-11-15(20)23-10(24-16(11)25)7-5-3-4-6-8-19/h9,12-14,18,26-27H,2-4,6H2,1H3,(H,21,28)(H2,20,23,24) | PDB
MMDB
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| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50034513
(2-substituted NECA derivatives, 3 | 5-[6-Amino-2-(...)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CCCCc1ccccc1 Show InChI InChI=1S/C23H26N6O4/c1-2-25-22(32)19-17(30)18(31)23(33-19)29-13-26-16-20(24)27-15(28-21(16)29)12-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,9-10,13,17-19,23,30-31H,2,4,7,11H2,1H3,(H,25,32)(H2,24,27,28) | Reactome pathway
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| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50041894
(2-substituted NECA derivatives, 12 | 5-(6-Amino-2-...)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CC1=CCCCC1 |t:27| Show InChI InChI=1S/C20H24N6O4/c1-2-22-19(29)16-14(27)15(28)20(30-16)26-10-23-13-17(21)24-12(25-18(13)26)9-8-11-6-4-3-5-7-11/h6,10,14-16,20,27-28H,2-5,7H2,1H3,(H,22,29)(H2,21,24,25) | Reactome pathway
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| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50041901
(2-substituted NECA derivatives, 2 | 5-[6-Amino-2-(...)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CCCCC#N Show InChI InChI=1S/C18H21N7O4/c1-2-21-17(28)14-12(26)13(27)18(29-14)25-9-22-11-15(20)23-10(24-16(11)25)7-5-3-4-6-8-19/h9,12-14,18,26-27H,2-4,6H2,1H3,(H,21,28)(H2,20,23,24) | PDB
Reactome pathway
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| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50208801
((2S,3S,4R,5R)-5-(6-amino-2-((S)-3-hydroxy-3-phenyl...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#C[C@@H](O)c1ccccc1 Show InChI InChI=1S/C21H22N6O5/c1-2-23-20(31)17-15(29)16(30)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)9-8-12(28)11-6-4-3-5-7-11/h3-7,10,12,15-17,21,28-30H,2H2,1H3,(H,23,31)(H2,22,25,26)/t12-,15+,16-,17+,21-/m1/s1 | PDB
MMDB
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| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50041895
(2-substituted NECA derivatives, 4 | 5-[6-Amino-2-(...)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CCC(C)O Show InChI InChI=1S/C17H22N6O5/c1-3-19-16(27)13-11(25)12(26)17(28-13)23-7-20-10-14(18)21-9(22-15(10)23)6-4-5-8(2)24/h7-8,11-13,17,24-26H,3,5H2,1-2H3,(H,19,27)(H2,18,21,22) | PDB
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| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50034516
(2-substituted NECA derivatives, 14 | 3-{4-[6-Amino...)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(CCC(O)=O)cc1 Show InChI InChI=1S/C23H24N6O6/c1-2-25-22(34)19-17(32)18(33)23(35-19)29-11-26-16-20(24)27-14(28-21(16)29)9-7-12-3-5-13(6-4-12)8-10-15(30)31/h3-6,11,17-19,23,32-33H,2,8,10H2,1H3,(H,25,34)(H,30,31)(H2,24,27,28) | Reactome pathway
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| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50041912
(2-substituted NECA derivatives, 7 | 5-[6-Amino-2-(...)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CC(C)(O)c1ccccc1 Show InChI InChI=1S/C22H24N6O5/c1-3-24-20(31)17-15(29)16(30)21(33-17)28-11-25-14-18(23)26-13(27-19(14)28)9-10-22(2,32)12-7-5-4-6-8-12/h4-8,11,15-17,21,29-30,32H,3H2,1-2H3,(H,24,31)(H2,23,26,27) | PDB
MMDB
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| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50034533
(2-substituted NECA derivatives, 11 | 5-(6-Amino-2-...)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#Cc1nccs1 Show InChI InChI=1S/C17H17N7O4S/c1-2-19-16(27)13-11(25)12(26)17(28-13)24-7-21-10-14(18)22-8(23-15(10)24)3-4-9-20-5-6-29-9/h5-7,11-13,17,25-26H,2H2,1H3,(H,19,27)(H2,18,22,23) | PDB
MMDB
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Reactome pathway
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 84 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50041894
(2-substituted NECA derivatives, 12 | 5-(6-Amino-2-...)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CC1=CCCCC1 |t:27| Show InChI InChI=1S/C20H24N6O4/c1-2-22-19(29)16-14(27)15(28)20(30-16)26-10-23-13-17(21)24-12(25-18(13)26)9-8-11-6-4-3-5-7-11/h6,10,14-16,20,27-28H,2-5,7H2,1H3,(H,22,29)(H2,21,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 87 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50041894
(2-substituted NECA derivatives, 12 | 5-(6-Amino-2-...)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CC1=CCCCC1 |t:27| Show InChI InChI=1S/C20H24N6O4/c1-2-22-19(29)16-14(27)15(28)20(30-16)26-10-23-13-17(21)24-12(25-18(13)26)9-8-11-6-4-3-5-7-11/h6,10,14-16,20,27-28H,2-5,7H2,1H3,(H,22,29)(H2,21,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50034513
(2-substituted NECA derivatives, 3 | 5-[6-Amino-2-(...)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CCCCc1ccccc1 Show InChI InChI=1S/C23H26N6O4/c1-2-25-22(32)19-17(30)18(31)23(33-19)29-13-26-16-20(24)27-15(28-21(16)29)12-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,9-10,13,17-19,23,30-31H,2,4,7,11H2,1H3,(H,25,32)(H2,24,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50034540
(2-substituted NECA derivatives, 10 | 5-(6-Amino-2-...)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#Cc1ccco1 Show InChI InChI=1S/C18H18N6O5/c1-2-20-17(27)14-12(25)13(26)18(29-14)24-8-21-11-15(19)22-10(23-16(11)24)6-5-9-4-3-7-28-9/h3-4,7-8,12-14,18,25-26H,2H2,1H3,(H,20,27)(H2,19,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM85524
(2-substituted NECA derivatives, 8)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CCOc1ccccc1 Show InChI InChI=1S/C21H22N6O5/c1-2-23-20(30)17-15(28)16(29)21(32-17)27-11-24-14-18(22)25-13(26-19(14)27)9-6-10-31-12-7-4-3-5-8-12/h3-5,7-8,11,15-17,21,28-29H,2,10H2,1H3,(H,23,30)(H2,22,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50034513
(2-substituted NECA derivatives, 3 | 5-[6-Amino-2-(...)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CCCCc1ccccc1 Show InChI InChI=1S/C23H26N6O4/c1-2-25-22(32)19-17(30)18(31)23(33-19)29-13-26-16-20(24)27-15(28-21(16)29)12-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,9-10,13,17-19,23,30-31H,2,4,7,11H2,1H3,(H,25,32)(H2,24,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50034536
(2-substituted NECA derivatives, 13 | 5-[6-Amino-2-...)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(cc1)C(N)=O Show InChI InChI=1S/C21H21N7O5/c1-2-24-20(32)16-14(29)15(30)21(33-16)28-9-25-13-17(22)26-12(27-19(13)28)8-5-10-3-6-11(7-4-10)18(23)31/h3-4,6-7,9,14-16,21,29-30H,2H2,1H3,(H2,23,31)(H,24,32)(H2,22,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50034536
(2-substituted NECA derivatives, 13 | 5-[6-Amino-2-...)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(cc1)C(N)=O Show InChI InChI=1S/C21H21N7O5/c1-2-24-20(32)16-14(29)15(30)21(33-16)28-9-25-13-17(22)26-12(27-19(13)28)8-5-10-3-6-11(7-4-10)18(23)31/h3-4,6-7,9,14-16,21,29-30H,2H2,1H3,(H2,23,31)(H,24,32)(H2,22,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50034540
(2-substituted NECA derivatives, 10 | 5-(6-Amino-2-...)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#Cc1ccco1 Show InChI InChI=1S/C18H18N6O5/c1-2-20-17(27)14-12(25)13(26)18(29-14)24-8-21-11-15(19)22-10(23-16(11)24)6-5-9-4-3-7-28-9/h3-4,7-8,12-14,18,25-26H,2H2,1H3,(H,20,27)(H2,19,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50034531
(5-(6-Amino-2-phenylethynyl-purin-9-yl)-3,4-dihydro...)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#Cc1ccccc1 Show InChI InChI=1S/C20H20N6O4/c1-2-22-19(29)16-14(27)15(28)20(30-16)26-10-23-13-17(21)24-12(25-18(13)26)9-8-11-6-4-3-5-7-11/h3-7,10,14-16,20,27-28H,2H2,1H3,(H,22,29)(H2,21,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50034531
(5-(6-Amino-2-phenylethynyl-purin-9-yl)-3,4-dihydro...)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#Cc1ccccc1 Show InChI InChI=1S/C20H20N6O4/c1-2-22-19(29)16-14(27)15(28)20(30-16)26-10-23-13-17(21)24-12(25-18(13)26)9-8-11-6-4-3-5-7-11/h3-7,10,14-16,20,27-28H,2H2,1H3,(H,22,29)(H2,21,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50034516
(2-substituted NECA derivatives, 14 | 3-{4-[6-Amino...)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(CCC(O)=O)cc1 Show InChI InChI=1S/C23H24N6O6/c1-2-25-22(34)19-17(32)18(33)23(35-19)29-11-26-16-20(24)27-14(28-21(16)29)9-7-12-3-5-13(6-4-12)8-10-15(30)31/h3-6,11,17-19,23,32-33H,2,8,10H2,1H3,(H,25,34)(H,30,31)(H2,24,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
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UniChem
Similars
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50034516
(2-substituted NECA derivatives, 14 | 3-{4-[6-Amino...)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(CCC(O)=O)cc1 Show InChI InChI=1S/C23H24N6O6/c1-2-25-22(34)19-17(32)18(33)23(35-19)29-11-26-16-20(24)27-14(28-21(16)29)9-7-12-3-5-13(6-4-12)8-10-15(30)31/h3-6,11,17-19,23,32-33H,2,8,10H2,1H3,(H,25,34)(H,30,31)(H2,24,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
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