BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 41 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1 (A1)' AND taxid = 9986   
Target
(Institution)
LigandTarget
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 (A1)


(Oryctolagus cuniculus (Rabbit))
BDBM50008415
PNG
(2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydro...)
Show SMILES OCC1OC(C(O)C1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
0.200n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)

More data for this
Ligand-Target Pair
Adenosine receptor A1 (A1)


(Oryctolagus cuniculus (Rabbit))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
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)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
0.210n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)

More data for this
Ligand-Target Pair
Adenosine receptor A1 (A1)


(Oryctolagus cuniculus (Rabbit))
BDBM50006730
PNG
((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)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
0.310n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)

More data for this
Ligand-Target Pair
Adenosine receptor A1 (A1)


(Oryctolagus cuniculus (Rabbit))
BDBM50207816
PNG
(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)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PubMed
0.450n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)

More data for this
Ligand-Target Pair
Adenosine receptor A1 (A1)


(Oryctolagus cuniculus (Rabbit))
BDBM50006730
PNG
((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)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
1n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 280: 122-8 (1997)

More data for this
Ligand-Target Pair
Adenosine receptor A1 (A1)


(Oryctolagus cuniculus (Rabbit))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
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)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
1n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 280: 122-8 (1997)

More data for this
Ligand-Target Pair
Adenosine receptor A1 (A1)


(Oryctolagus cuniculus (Rabbit))
BDBM25400
PNG
((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
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PubMed
1n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 280: 122-8 (1997)

More data for this
Ligand-Target Pair
Adenosine receptor A1 (A1)


(Oryctolagus cuniculus (Rabbit))
BDBM99192
PNG
(US8501708, 12)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC[C@H]3OCc3ccccc3)ncnc12
Show InChI InChI=1S/C22H27N5O5/c28-9-16-18(29)19(30)22(32-16)27-12-25-17-20(23-11-24-21(17)27)26-14-7-4-8-15(14)31-10-13-5-2-1-3-6-13/h1-3,5-6,11-12,14-16,18-19,22,28-30H,4,7-10H2,(H,23,24,26)/t14?,15-,16-,18-,19-,22?/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
1.72n/an/an/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

US Patent


Assay Description
The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.


US Patent US8501708 (2013)

More data for this
Ligand-Target Pair
Adenosine receptor A1 (A1)


(Oryctolagus cuniculus (Rabbit))
BDBM21220
PNG
((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
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PubMed
2n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 280: 122-8 (1997)

More data for this
Ligand-Target Pair
Adenosine receptor A1 (A1)


(Oryctolagus cuniculus (Rabbit))
BDBM99205
PNG
(US8501708, 29)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC[C@H]3OCc3cccc(F)c3)ncnc12
Show InChI InChI=1S/C22H26FN5O5/c23-13-4-1-3-12(7-13)9-32-15-6-2-5-14(15)27-20-17-21(25-10-24-20)28(11-26-17)22-19(31)18(30)16(8-29)33-22/h1,3-4,7,10-11,14-16,18-19,22,29-31H,2,5-6,8-9H2,(H,24,25,27)/t14?,15-,16-,18-,19-,22-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
2.28n/an/an/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

US Patent


Assay Description
The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.


US Patent US8501708 (2013)

More data for this
Ligand-Target Pair
Adenosine receptor A1 (A1)


(Oryctolagus cuniculus (Rabbit))
BDBM99204
PNG
(US8501708, 28)
Show SMILES Cc1ccccc1CO[C@@H]1CCCC1Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C23H29N5O5/c1-13-5-2-3-6-14(13)10-32-16-8-4-7-15(16)27-21-18-22(25-11-24-21)28(12-26-18)23-20(31)19(30)17(9-29)33-23/h2-3,5-6,11-12,15-17,19-20,23,29-31H,4,7-10H2,1H3,(H,24,25,27)/t15?,16-,17-,19-,20-,23-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
2.65n/an/an/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

US Patent


Assay Description
The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.


US Patent US8501708 (2013)

More data for this
Ligand-Target Pair
Adenosine receptor A1 (A1)


(Oryctolagus cuniculus (Rabbit))
BDBM99197
PNG
(US8501708, 17)
Show SMILES Cc1ccccc1CO[C@H]1CCCC1Nc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C23H29N5O5/c1-13-5-2-3-6-14(13)10-32-16-8-4-7-15(16)27-21-18-22(25-11-24-21)28(12-26-18)23-20(31)19(30)17(9-29)33-23/h2-3,5-6,11-12,15-17,19-20,23,29-31H,4,7-10H2,1H3,(H,24,25,27)/t15?,16-,17+,19+,20+,23?/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
2.79n/an/an/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

US Patent


Assay Description
The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.


US Patent US8501708 (2013)

More data for this
Ligand-Target Pair
Adenosine receptor A1 (A1)


(Oryctolagus cuniculus (Rabbit))
BDBM99193
PNG
(US8501708, 13)
Show SMILES Cc1ccc(CO[C@H]2CCCC2Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C23H29N5O5/c1-13-5-7-14(8-6-13)10-32-16-4-2-3-15(16)27-21-18-22(25-11-24-21)28(12-26-18)23-20(31)19(30)17(9-29)33-23/h5-8,11-12,15-17,19-20,23,29-31H,2-4,9-10H2,1H3,(H,24,25,27)/t15?,16-,17+,19+,20+,23?/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
2.97n/an/an/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

US Patent


Assay Description
The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.


US Patent US8501708 (2013)

More data for this
Ligand-Target Pair
Adenosine receptor A1 (A1)


(Oryctolagus cuniculus (Rabbit))
BDBM85036
PNG
(BW-A1433 | BWA1433 | CAS_129447 | NSC_129447)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(C=CC(O)=O)cc1
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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 280: 122-8 (1997)

More data for this
Ligand-Target Pair
Adenosine receptor A1 (A1)


(Oryctolagus cuniculus (Rabbit))
BDBM99206
PNG
(US8501708, 30)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC[C@H]3OCc3ccc(F)cc3)ncnc12
Show InChI InChI=1S/C22H26FN5O5/c23-13-6-4-12(5-7-13)9-32-15-3-1-2-14(15)27-20-17-21(25-10-24-20)28(11-26-17)22-19(31)18(30)16(8-29)33-22/h4-7,10-11,14-16,18-19,22,29-31H,1-3,8-9H2,(H,24,25,27)/t14?,15-,16-,18-,19-,22-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
3.53n/an/an/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

US Patent


Assay Description
The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.


US Patent US8501708 (2013)

More data for this
Ligand-Target Pair
Adenosine receptor A1 (A1)


(Oryctolagus cuniculus (Rabbit))
BDBM99199
PNG
(US8501708, 19)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC[C@@H]3OCc3ccc(F)cc3)ncnc12
Show InChI InChI=1S/C22H26FN5O5/c23-13-6-4-12(5-7-13)9-32-15-3-1-2-14(15)27-20-17-21(25-10-24-20)28(11-26-17)22-19(31)18(30)16(8-29)33-22/h4-7,10-11,14-16,18-19,22,29-31H,1-3,8-9H2,(H,24,25,27)/t14?,15-,16+,18+,19+,22?/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
3.61n/an/an/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

US Patent


Assay Description
The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.


US Patent US8501708 (2013)

More data for this
Ligand-Target Pair
Adenosine receptor A1 (A1)


(Oryctolagus cuniculus (Rabbit))
BDBM99202
PNG
(US8501708, 22)
Show SMILES COc1cccc(CO[C@H]2CCCC2Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)c1
Show InChI InChI=1S/C23H29N5O6/c1-32-14-5-2-4-13(8-14)10-33-16-7-3-6-15(16)27-21-18-22(25-11-24-21)28(12-26-18)23-20(31)19(30)17(9-29)34-23/h2,4-5,8,11-12,15-17,19-20,23,29-31H,3,6-7,9-10H2,1H3,(H,24,25,27)/t15?,16-,17+,19+,20+,23?/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
3.68n/an/an/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

US Patent


Assay Description
The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.


US Patent US8501708 (2013)

More data for this
Ligand-Target Pair
Adenosine receptor A1 (A1)


(Oryctolagus cuniculus (Rabbit))
BDBM82557
PNG
(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
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 280: 122-8 (1997)

More data for this
Ligand-Target Pair
Adenosine receptor A1 (A1)


(Oryctolagus cuniculus (Rabbit))
BDBM99210
PNG
(US8501708, 34)
Show SMILES Cc1cccc(C)c1CO[C@@H]1CCCC1Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C24H31N5O5/c1-13-5-3-6-14(2)15(13)10-33-17-8-4-7-16(17)28-22-19-23(26-11-25-22)29(12-27-19)24-21(32)20(31)18(9-30)34-24/h3,5-6,11-12,16-18,20-21,24,30-32H,4,7-10H2,1-2H3,(H,25,26,28)/t16?,17-,18-,20-,21-,24-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
4.86n/an/an/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

US Patent


Assay Description
The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.


US Patent US8501708 (2013)

More data for this
Ligand-Target Pair
Adenosine receptor A1 (A1)


(Oryctolagus cuniculus (Rabbit))
BDBM50207816
PNG
(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)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PubMed
5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 280: 122-8 (1997)

More data for this
Ligand-Target Pair
Adenosine receptor A1 (A1)


(Oryctolagus cuniculus (Rabbit))
BDBM21220
PNG
((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
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PubMed
5.30n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)

More data for this
Ligand-Target Pair
Adenosine receptor A1 (A1)


(Oryctolagus cuniculus (Rabbit))
BDBM99209
PNG
(US8501708, 33)
Show SMILES COc1cccc(CO[C@@H]2CCCC2Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1
Show InChI InChI=1S/C23H29N5O6/c1-32-14-5-2-4-13(8-14)10-33-16-7-3-6-15(16)27-21-18-22(25-11-24-21)28(12-26-18)23-20(31)19(30)17(9-29)34-23/h2,4-5,8,11-12,15-17,19-20,23,29-31H,3,6-7,9-10H2,1H3,(H,24,25,27)/t15?,16-,17-,19-,20-,23-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
5.59n/an/an/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

US Patent


Assay Description
The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.


US Patent US8501708 (2013)

More data for this
Ligand-Target Pair
Adenosine receptor A1 (A1)


(Oryctolagus cuniculus (Rabbit))
BDBM50037785
PNG
(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)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
6n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 280: 122-8 (1997)

More data for this
Ligand-Target Pair
Adenosine receptor A1 (A1)


(Oryctolagus cuniculus (Rabbit))
BDBM99208
PNG
(US8501708, 32)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC[C@H]3OCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C22H26IN5O5/c23-13-4-1-3-12(7-13)9-32-15-6-2-5-14(15)27-20-17-21(25-10-24-20)28(11-26-17)22-19(31)18(30)16(8-29)33-22/h1,3-4,7,10-11,14-16,18-19,22,29-31H,2,5-6,8-9H2,(H,24,25,27)/t14?,15-,16-,18-,19-,22-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
6.06n/an/an/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

US Patent


Assay Description
The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.


US Patent US8501708 (2013)

More data for this
Ligand-Target Pair
Adenosine receptor A1 (A1)


(Oryctolagus cuniculus (Rabbit))
BDBM99207
PNG
(US8501708, 31)
Show SMILES CC(C)c1ccc(CO[C@@H]2CCCC2Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C25H33N5O5/c1-14(2)16-8-6-15(7-9-16)11-34-18-5-3-4-17(18)29-23-20-24(27-12-26-23)30(13-28-20)25-22(33)21(32)19(10-31)35-25/h6-9,12-14,17-19,21-22,25,31-33H,3-5,10-11H2,1-2H3,(H,26,27,29)/t17?,18-,19-,21-,22-,25-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
6.08n/an/an/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

US Patent


Assay Description
The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.


US Patent US8501708 (2013)

More data for this
Ligand-Target Pair
Adenosine receptor A1 (A1)


(Oryctolagus cuniculus (Rabbit))
BDBM81925
PNG
(8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
6.40n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)

More data for this
Ligand-Target Pair
Adenosine receptor A1 (A1)


(Oryctolagus cuniculus (Rabbit))
BDBM50008415
PNG
(2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydro...)
Show SMILES OCC1OC(C(O)C1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
8.5n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)

More data for this
Ligand-Target Pair
Adenosine receptor A1 (A1)


(Oryctolagus cuniculus (Rabbit))
BDBM50006730
PNG
((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)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
10.3n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)

More data for this
Ligand-Target Pair
Adenosine receptor A1 (A1)


(Oryctolagus cuniculus (Rabbit))
BDBM99203
PNG
(US8501708, 23)
Show SMILES Cc1cccc(CO[C@H]2CCCC2Nc2nc(Cl)nc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)c1
Show InChI InChI=1S/C23H28ClN5O5/c1-12-4-2-5-13(8-12)10-33-15-7-3-6-14(15)26-20-17-21(28-23(24)27-20)29(11-25-17)22-19(32)18(31)16(9-30)34-22/h2,4-5,8,11,14-16,18-19,22,30-32H,3,6-7,9-10H2,1H3,(H,26,27,28)/t14?,15-,16+,18+,19+,22?/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
12.3n/an/an/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

US Patent


Assay Description
The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.


US Patent US8501708 (2013)

More data for this
Ligand-Target Pair
Adenosine receptor A1 (A1)


(Oryctolagus cuniculus (Rabbit))
BDBM99198
PNG
(US8501708, 18)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC[C@@H]3OCc3cccc(F)c3)ncnc12
Show InChI InChI=1S/C22H26FN5O5/c23-13-4-1-3-12(7-13)9-32-15-6-2-5-14(15)27-20-17-21(25-10-24-20)28(11-26-17)22-19(31)18(30)16(8-29)33-22/h1,3-4,7,10-11,14-16,18-19,22,29-31H,2,5-6,8-9H2,(H,24,25,27)/t14?,15-,16+,18+,19+,22?/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
12.6n/an/an/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

US Patent


Assay Description
The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.


US Patent US8501708 (2013)

More data for this
Ligand-Target Pair
Adenosine receptor A1 (A1)


(Oryctolagus cuniculus (Rabbit))
BDBM50006730
PNG
((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)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
13.5n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)

More data for this
Ligand-Target Pair
Adenosine receptor A1 (A1)


(Oryctolagus cuniculus (Rabbit))
BDBM99200
PNG
(US8501708, 20)
Show SMILES CC(C)c1ccc(CO[C@H]2CCCC2Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C25H33N5O5/c1-14(2)16-8-6-15(7-9-16)11-34-18-5-3-4-17(18)29-23-20-24(27-12-26-23)30(13-28-20)25-22(33)21(32)19(10-31)35-25/h6-9,12-14,17-19,21-22,25,31-33H,3-5,10-11H2,1-2H3,(H,26,27,29)/t17?,18-,19+,21+,22+,25?/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
14.4n/an/an/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

US Patent


Assay Description
The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.


US Patent US8501708 (2013)

More data for this
Ligand-Target Pair
Adenosine receptor A1 (A1)


(Oryctolagus cuniculus (Rabbit))
BDBM99201
PNG
(US8501708, 21)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC[C@@H]3OCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C22H26IN5O5/c23-13-4-1-3-12(7-13)9-32-15-6-2-5-14(15)27-20-17-21(25-10-24-20)28(11-26-17)22-19(31)18(30)16(8-29)33-22/h1,3-4,7,10-11,14-16,18-19,22,29-31H,2,5-6,8-9H2,(H,24,25,27)/t14?,15-,16+,18+,19+,22?/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
28.8n/an/an/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

US Patent


Assay Description
The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.


US Patent US8501708 (2013)

More data for this
Ligand-Target Pair
Adenosine receptor A1 (A1)


(Oryctolagus cuniculus (Rabbit))
BDBM99194
PNG
(US8501708, 14 | US8501708, 15)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3OCc3ccccc3)ncnc12
Show InChI InChI=1S/C23H29N5O5/c29-10-17-19(30)20(31)23(33-17)28-13-26-18-21(24-12-25-22(18)28)27-15-8-4-5-9-16(15)32-11-14-6-2-1-3-7-14/h1-3,6-7,12-13,15-17,19-20,23,29-31H,4-5,8-11H2,(H,24,25,27)/t15?,16?,17-,19-,20-,23?/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
29n/an/an/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

US Patent


Assay Description
The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.


US Patent US8501708 (2013)

More data for this
Ligand-Target Pair
Adenosine receptor A1 (A1)


(Oryctolagus cuniculus (Rabbit))
BDBM50034171
PNG
(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)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 280: 122-8 (1997)

More data for this
Ligand-Target Pair
Adenosine receptor A1 (A1)


(Oryctolagus cuniculus (Rabbit))
BDBM85037
PNG
(ABA | CAS_14375-45-2)
Show SMILES CC(C=C[C@@]1(O)C(C)=CC(=O)CC1(C)C)=CC(O)=O
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
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
UniChem

Patents

AffyNet 
PubMed
40n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 280: 122-8 (1997)

More data for this
Ligand-Target Pair
Adenosine receptor A1 (A1)


(Oryctolagus cuniculus (Rabbit))
BDBM99194
PNG
(US8501708, 14 | US8501708, 15)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3OCc3ccccc3)ncnc12
Show InChI InChI=1S/C23H29N5O5/c29-10-17-19(30)20(31)23(33-17)28-13-26-18-21(24-12-25-22(18)28)27-15-8-4-5-9-16(15)32-11-14-6-2-1-3-7-14/h1-3,6-7,12-13,15-17,19-20,23,29-31H,4-5,8-11H2,(H,24,25,27)/t15?,16?,17-,19-,20-,23?/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
53.1n/an/an/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

US Patent


Assay Description
The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.


US Patent US8501708 (2013)

More data for this
Ligand-Target Pair
Adenosine receptor A1 (A1)


(Oryctolagus cuniculus (Rabbit))
BDBM21220
PNG
((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
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PubMed
85n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)

More data for this
Ligand-Target Pair
Adenosine receptor A1 (A1)


(Oryctolagus cuniculus (Rabbit))
BDBM50006730
PNG
((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)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
534n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)

More data for this
Ligand-Target Pair
Adenosine receptor A1 (A1)


(Oryctolagus cuniculus (Rabbit))
BDBM99196
PNG
(US8501708, 16)
Show SMILES Cc1cccc(CO[C@H]2CCCC2Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)c1
Show InChI InChI=1S/C23H29N5O5/c1-13-4-2-5-14(8-13)10-32-16-7-3-6-15(16)27-21-18-22(25-11-24-21)28(12-26-18)23-20(31)19(30)17(9-29)33-23/h2,4-5,8,11-12,15-17,19-20,23,29-31H,3,6-7,9-10H2,1H3,(H,24,25,27)/t15?,16-,17+,19+,20+,23?/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
1.36E+3n/an/an/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

US Patent


Assay Description
The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.


US Patent US8501708 (2013)

More data for this
Ligand-Target Pair
Adenosine receptor A1 (A1)


(Oryctolagus cuniculus (Rabbit))
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PubMed
4.71E+3n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)

More data for this
Ligand-Target Pair