Found 24 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 A1
(Oryctolagus cuniculus (Rabbit)) | 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) | PDB
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Pfizer Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 280: 122-8 (1997)
BindingDB Entry DOI: 10.7270/Q2J67FFH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Oryctolagus cuniculus (Rabbit)) | 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) | PDB
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Pfizer Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 280: 122-8 (1997)
BindingDB Entry DOI: 10.7270/Q2J67FFH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Oryctolagus cuniculus (Rabbit)) | BDBM25400
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1 | PDB
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Pfizer Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 280: 122-8 (1997)
BindingDB Entry DOI: 10.7270/Q2J67FFH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Oryctolagus cuniculus (Rabbit)) | 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
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Pfizer Inc.
Curated by PDSP Ki Database
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J Pharmacol Exp Ther 280: 122-8 (1997)
BindingDB Entry DOI: 10.7270/Q2J67FFH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Oryctolagus cuniculus (rabbit)) | 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) | UniProtKB/SwissProt
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Pfizer Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 280: 122-8 (1997)
BindingDB Entry DOI: 10.7270/Q2J67FFH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Oryctolagus cuniculus (Rabbit)) | BDBM85036
(BW-A1433 | BWA1433 | CAS_129447 | NSC_129447)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(C=CC(O)=O)cc1 |w:21.22| Show InChI InChI=1S/C20H22N4O4/c1-3-11-23-18-16(19(27)24(12-4-2)20(23)28)21-17(22-18)14-8-5-13(6-9-14)7-10-15(25)26/h5-10H,3-4,11-12H2,1-2H3,(H,21,22)(H,25,26)/b10-7+ | PDB
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Pfizer Inc.
Curated by PDSP Ki Database
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J Pharmacol Exp Ther 280: 122-8 (1997)
BindingDB Entry DOI: 10.7270/Q2J67FFH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Oryctolagus cuniculus (Rabbit)) | BDBM82557
(I-ABA | IABA | N(6)-(4-Amino-3-iodobenzyl)adenosin...)Show SMILES Nc1ccc(CNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1I Show InChI InChI=1S/C17H19IN6O4/c18-9-3-8(1-2-10(9)19)4-20-15-12-16(22-6-21-15)24(7-23-12)17-14(27)13(26)11(5-25)28-17/h1-3,6-7,11,13-14,17,25-27H,4-5,19H2,(H,20,21,22)/t11-,13-,14-,17-/m1/s1 | PDB
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Pfizer Inc.
Curated by PDSP Ki Database
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J Pharmacol Exp Ther 280: 122-8 (1997)
BindingDB Entry DOI: 10.7270/Q2J67FFH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Oryctolagus cuniculus (Rabbit)) | 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) | PDB
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Pfizer Inc.
Curated by PDSP Ki Database
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J Pharmacol Exp Ther 280: 122-8 (1997)
BindingDB Entry DOI: 10.7270/Q2J67FFH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Oryctolagus cuniculus (rabbit)) | BDBM82557
(I-ABA | IABA | N(6)-(4-Amino-3-iodobenzyl)adenosin...)Show SMILES Nc1ccc(CNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1I Show InChI InChI=1S/C17H19IN6O4/c18-9-3-8(1-2-10(9)19)4-20-15-12-16(22-6-21-15)24(7-23-12)17-14(27)13(26)11(5-25)28-17/h1-3,6-7,11,13-14,17,25-27H,4-5,19H2,(H,20,21,22)/t11-,13-,14-,17-/m1/s1 | UniProtKB/SwissProt
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Pfizer Inc.
Curated by PDSP Ki Database
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J Pharmacol Exp Ther 280: 122-8 (1997)
BindingDB Entry DOI: 10.7270/Q2J67FFH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Oryctolagus cuniculus (Rabbit)) | BDBM50037785
(2-(6-{[2-(4-aminophenyl)ethyl]amino}-9H-purin-9-yl...)Show SMILES Nc1ccc(CCNc2ncnc3n(cnc23)C2OC(CO)C(O)C2O)cc1 Show InChI InChI=1S/C18H22N6O4/c19-11-3-1-10(2-4-11)5-6-20-16-13-17(22-8-21-16)24(9-23-13)18-15(27)14(26)12(7-25)28-18/h1-4,8-9,12,14-15,18,25-27H,5-7,19H2,(H,20,21,22) | PDB
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Pfizer Inc.
Curated by PDSP Ki Database
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J Pharmacol Exp Ther 280: 122-8 (1997)
BindingDB Entry DOI: 10.7270/Q2J67FFH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Sheep) | BDBM85036
(BW-A1433 | BWA1433 | CAS_129447 | NSC_129447)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(C=CC(O)=O)cc1 |w:21.22| Show InChI InChI=1S/C20H22N4O4/c1-3-11-23-18-16(19(27)24(12-4-2)20(23)28)21-17(22-18)14-8-5-13(6-9-14)7-10-15(25)26/h5-10H,3-4,11-12H2,1-2H3,(H,21,22)(H,25,26)/b10-7+ | KEGG
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Pfizer Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 280: 122-8 (1997)
BindingDB Entry DOI: 10.7270/Q2J67FFH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Oryctolagus cuniculus (rabbit)) | 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 | UniProtKB/SwissProt
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Pfizer Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 280: 122-8 (1997)
BindingDB Entry DOI: 10.7270/Q2J67FFH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Oryctolagus cuniculus (Rabbit)) | 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) | PDB
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Pfizer Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 280: 122-8 (1997)
BindingDB Entry DOI: 10.7270/Q2J67FFH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM85036
(BW-A1433 | BWA1433 | CAS_129447 | NSC_129447)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(C=CC(O)=O)cc1 |w:21.22| Show InChI InChI=1S/C20H22N4O4/c1-3-11-23-18-16(19(27)24(12-4-2)20(23)28)21-17(22-18)14-8-5-13(6-9-14)7-10-15(25)26/h5-10H,3-4,11-12H2,1-2H3,(H,21,22)(H,25,26)/b10-7+ | Reactome pathway
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Pfizer Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 280: 122-8 (1997)
BindingDB Entry DOI: 10.7270/Q2J67FFH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Oryctolagus cuniculus (Rabbit)) | BDBM85037
(ABA | CAS_14375-45-2)Show SMILES CC(C=C[C@@]1(O)C(C)=CC(=O)CC1(C)C)=CC(O)=O |r,w:2.1,15.16,c:7| Show InChI InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/t15-/m1/s1 | PDB
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Pfizer Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 280: 122-8 (1997)
BindingDB Entry DOI: 10.7270/Q2J67FFH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Oryctolagus cuniculus (rabbit)) | BDBM50037785
(2-(6-{[2-(4-aminophenyl)ethyl]amino}-9H-purin-9-yl...)Show SMILES Nc1ccc(CCNc2ncnc3n(cnc23)C2OC(CO)C(O)C2O)cc1 Show InChI InChI=1S/C18H22N6O4/c19-11-3-1-10(2-4-11)5-6-20-16-13-17(22-8-21-16)24(9-23-13)18-15(27)14(26)12(7-25)28-18/h1-4,8-9,12,14-15,18,25-27H,5-7,19H2,(H,20,21,22) | UniProtKB/SwissProt
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Pfizer Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 280: 122-8 (1997)
BindingDB Entry DOI: 10.7270/Q2J67FFH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Oryctolagus cuniculus (rabbit)) | BDBM25400
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1 | UniProtKB/SwissProt
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Pfizer Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 280: 122-8 (1997)
BindingDB Entry DOI: 10.7270/Q2J67FFH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Oryctolagus cuniculus (rabbit)) | 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) | UniProtKB/SwissProt
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Pfizer Inc.
Curated by PDSP Ki Database
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J Pharmacol Exp Ther 280: 122-8 (1997)
BindingDB Entry DOI: 10.7270/Q2J67FFH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM85036
(BW-A1433 | BWA1433 | CAS_129447 | NSC_129447)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(C=CC(O)=O)cc1 |w:21.22| Show InChI InChI=1S/C20H22N4O4/c1-3-11-23-18-16(19(27)24(12-4-2)20(23)28)21-17(22-18)14-8-5-13(6-9-14)7-10-15(25)26/h5-10H,3-4,11-12H2,1-2H3,(H,21,22)(H,25,26)/b10-7+ | PDB
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Pfizer Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 280: 122-8 (1997)
BindingDB Entry DOI: 10.7270/Q2J67FFH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Oryctolagus cuniculus (rabbit)) | BDBM85037
(ABA | CAS_14375-45-2)Show SMILES CC(C=C[C@@]1(O)C(C)=CC(=O)CC1(C)C)=CC(O)=O |r,w:2.1,15.16,c:7| Show InChI InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/t15-/m1/s1 | UniProtKB/SwissProt
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Pfizer Inc.
Curated by PDSP Ki Database
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J Pharmacol Exp Ther 280: 122-8 (1997)
BindingDB Entry DOI: 10.7270/Q2J67FFH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Oryctolagus cuniculus (rabbit)) | 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) | UniProtKB/SwissProt
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| 329 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 280: 122-8 (1997)
BindingDB Entry DOI: 10.7270/Q2J67FFH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Oryctolagus cuniculus (rabbit)) | BDBM85036
(BW-A1433 | BWA1433 | CAS_129447 | NSC_129447)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(C=CC(O)=O)cc1 |w:21.22| Show InChI InChI=1S/C20H22N4O4/c1-3-11-23-18-16(19(27)24(12-4-2)20(23)28)21-17(22-18)14-8-5-13(6-9-14)7-10-15(25)26/h5-10H,3-4,11-12H2,1-2H3,(H,21,22)(H,25,26)/b10-7+ | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| 746 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 280: 122-8 (1997)
BindingDB Entry DOI: 10.7270/Q2J67FFH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Oryctolagus cuniculus (rabbit)) | 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) | UniProtKB/SwissProt
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| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 1.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 280: 122-8 (1997)
BindingDB Entry DOI: 10.7270/Q2J67FFH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Oryctolagus cuniculus (rabbit)) | BDBM82023
(4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...)Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(O)(=O)=O Show InChI InChI=1S/C13H12N4O5S/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)7-3-5-8(6-4-7)23(20,21)22/h3-6H,1-2H3,(H,14,15)(H,20,21,22) | UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 280: 122-8 (1997)
BindingDB Entry DOI: 10.7270/Q2J67FFH |
More data for this
Ligand-Target Pair | |
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