Found 3597 hits with Last Name = 'leonard' and Initial = 'k' 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 A2a
(Homo sapiens (Human)) | BDBM50394718
(CHEMBL2165801)Show SMILES Nc1nc2-c3cc(Cc4cnccc4Cl)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H15ClN4O/c24-18-8-9-26-12-15(18)10-13-6-7-16-17(11-13)21-19(22(16)29)20(27-23(25)28-21)14-4-2-1-3-5-14/h1-9,11-12H,10H2,(H2,25,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production |
J Med Chem 55: 1402-17 (2012)
Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50394722
(CHEMBL2165807)Show SMILES Nc1nc2-c3cc(Cc4cccnc4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H16N4O/c24-23-26-20(16-6-2-1-3-7-16)19-21(27-23)18-12-14(8-9-17(18)22(19)28)11-15-5-4-10-25-13-15/h1-10,12-13H,11H2,(H2,24,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production |
J Med Chem 55: 1402-17 (2012)
Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM86180
(CAS_87075-17-0 | NSC_5018 | SCH 23390 | SCH23390 |...)Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by PDSP Ki Database
| |
Bioorg Med Chem 11: 1451-64 (2003)
Article DOI: 10.1016/S0968-0896(02)00561-8 BindingDB Entry DOI: 10.7270/Q2CV4G90 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50394717
(CHEMBL2165802)Show SMILES Nc1nc2-c3cc(ccc3C(=O)c2c(n1)-c1ccccc1)C(=O)c1cccnc1 Show InChI InChI=1S/C23H14N4O2/c24-23-26-19(13-5-2-1-3-6-13)18-20(27-23)17-11-14(8-9-16(17)22(18)29)21(28)15-7-4-10-25-12-15/h1-12H,(H2,24,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production |
J Med Chem 55: 1402-17 (2012)
Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50394718
(CHEMBL2165801)Show SMILES Nc1nc2-c3cc(Cc4cnccc4Cl)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H15ClN4O/c24-18-8-9-26-12-15(18)10-13-6-7-16-17(11-13)21-19(22(16)29)20(27-23(25)28-21)14-4-2-1-3-5-14/h1-9,11-12H,10H2,(H2,25,27,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description Antagonist activity at human Adenosine receptor A1 assessed as inhibition of cAMP production |
J Med Chem 55: 1402-17 (2012)
Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM86180
(CAS_87075-17-0 | NSC_5018 | SCH 23390 | SCH23390 |...)Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.690 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by PDSP Ki Database
| |
Bioorg Med Chem 11: 1451-64 (2003)
Article DOI: 10.1016/S0968-0896(02)00561-8 BindingDB Entry DOI: 10.7270/Q2CV4G90 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50394719
(CHEMBL2165800)Show SMILES Nc1nc2-c3cc(Cc4ccncc4F)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H15FN4O/c24-18-12-26-9-8-15(18)10-13-6-7-16-17(11-13)21-19(22(16)29)20(27-23(25)28-21)14-4-2-1-3-5-14/h1-9,11-12H,10H2,(H2,25,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production |
J Med Chem 55: 1402-17 (2012)
Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50001888
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 0.740 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by PDSP Ki Database
| |
Bioorg Med Chem 11: 1451-64 (2003)
Article DOI: 10.1016/S0968-0896(02)00561-8 BindingDB Entry DOI: 10.7270/Q2CV4G90 |
More data for this Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50001888
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3 | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by PDSP Ki Database
| |
Bioorg Med Chem 11: 1451-64 (2003)
Article DOI: 10.1016/S0968-0896(02)00561-8 BindingDB Entry DOI: 10.7270/Q2CV4G90 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50316892
(2-amino-4-phenyl-8-(2-(pyridin-4-yl)ethylamino)-5H...)Show SMILES Nc1nc2-c3cc(NCCc4ccncc4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C24H19N5O/c25-24-28-21(16-4-2-1-3-5-16)20-22(29-24)19-14-17(6-7-18(19)23(20)30)27-13-10-15-8-11-26-12-9-15/h1-9,11-12,14,27H,10,13H2,(H2,25,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonistic activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2868-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.024 BindingDB Entry DOI: 10.7270/Q27S7NXB |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50316893
(2-amino-4-phenyl-8-(2-(pyridin-2-yl)ethylamino)-5H...)Show SMILES Nc1nc2-c3cc(NCCc4ccccn4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C24H19N5O/c25-24-28-21(15-6-2-1-3-7-15)20-22(29-24)19-14-17(9-10-18(19)23(20)30)27-13-11-16-8-4-5-12-26-16/h1-10,12,14,27H,11,13H2,(H2,25,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonistic activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2868-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.024 BindingDB Entry DOI: 10.7270/Q27S7NXB |
More data for this Ligand-Target Pair | |
D(1B) dopamine receptor
(RAT) | BDBM86180
(CAS_87075-17-0 | NSC_5018 | SCH 23390 | SCH23390 |...)Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3 | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by PDSP Ki Database
| |
Bioorg Med Chem 11: 1451-64 (2003)
Article DOI: 10.1016/S0968-0896(02)00561-8 BindingDB Entry DOI: 10.7270/Q2CV4G90 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50001888
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by PDSP Ki Database
| |
Bioorg Med Chem 11: 1451-64 (2003)
Article DOI: 10.1016/S0968-0896(02)00561-8 BindingDB Entry DOI: 10.7270/Q2CV4G90 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50394720
(CHEMBL2165799)Show SMILES Nc1nc2-c3cc(Cc4cncc(F)c4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H15FN4O/c24-16-9-14(11-26-12-16)8-13-6-7-17-18(10-13)21-19(22(17)29)20(27-23(25)28-21)15-4-2-1-3-5-15/h1-7,9-12H,8H2,(H2,25,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production |
J Med Chem 55: 1402-17 (2012)
Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50491094
(CHEMBL2377092)Show SMILES Nc1nc(nc2sc(Cc3ccccc3Cl)cc12)-c1cccc(c1)C#N Show InChI InChI=1S/C20H13ClN4S/c21-17-7-2-1-5-13(17)9-15-10-16-18(23)24-19(25-20(16)26-15)14-6-3-4-12(8-14)11-22/h1-8,10H,9H2,(H2,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development, LLC
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A2a receptor expressed in CHOK1 cells assessed as inhibition of NECA/forskolin-induced cAMP accumulation incub... |
Bioorg Med Chem Lett 23: 2688-91 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.078 BindingDB Entry DOI: 10.7270/Q2222XPT |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50394721
(CHEMBL2165808)Show SMILES Nc1nc2-c3cc(Cc4cncc(c4)C#N)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C24H15N5O/c25-11-16-9-15(12-27-13-16)8-14-6-7-18-19(10-14)22-20(23(18)30)21(28-24(26)29-22)17-4-2-1-3-5-17/h1-7,9-10,12-13H,8H2,(H2,26,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production |
J Med Chem 55: 1402-17 (2012)
Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50394716
(CHEMBL2165803)Show SMILES Nc1nc2-c3cc(ccc3C(=O)c2c(n1)-c1ccccc1)C(F)(F)c1cccnc1 Show InChI InChI=1S/C23H14F2N4O/c24-23(25,15-7-4-10-27-12-15)14-8-9-16-17(11-14)20-18(21(16)30)19(28-22(26)29-20)13-5-2-1-3-6-13/h1-12H,(H2,26,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production |
J Med Chem 55: 1402-17 (2012)
Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50394715
(CHEMBL2165804)Show InChI InChI=1S/C18H17FN4O/c1-11(2)23-10-13(5-8-16(23)24)17-18(22-15(20)9-21-17)12-3-6-14(19)7-4-12/h3-11H,1-2H3,(H2,20,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production |
J Med Chem 55: 1402-17 (2012)
Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50394717
(CHEMBL2165802)Show SMILES Nc1nc2-c3cc(ccc3C(=O)c2c(n1)-c1ccccc1)C(=O)c1cccnc1 Show InChI InChI=1S/C23H14N4O2/c24-23-26-19(13-5-2-1-3-6-13)18-20(27-23)17-11-14(8-9-16(17)22(18)29)21(28)15-7-4-10-25-12-15/h1-12H,(H2,24,26,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description Antagonist activity at human Adenosine receptor A1 assessed as inhibition of cAMP production |
J Med Chem 55: 1402-17 (2012)
Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q |
More data for this Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM86182
(Dihydrexidine, 4-methyl-N-propyl)Show SMILES CCCN1Cc2c(C)cccc2[C@@H]2[C@@H]1CCc1cc(O)c(O)cc21 |r| Show InChI InChI=1S/C21H25NO2/c1-3-9-22-12-17-13(2)5-4-6-15(17)21-16-11-20(24)19(23)10-14(16)7-8-18(21)22/h4-6,10-11,18,21,23-24H,3,7-9,12H2,1-2H3/t18-,21-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 2.08 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by PDSP Ki Database
| |
Bioorg Med Chem 11: 1451-64 (2003)
Article DOI: 10.1016/S0968-0896(02)00561-8 BindingDB Entry DOI: 10.7270/Q2CV4G90 |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM50049047
(5,6,6a,7,8,12b-Hexahydro-benzo[a]phenanthridine-10...)Show InChI InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by PDSP Ki Database
| |
Bioorg Med Chem 11: 1451-64 (2003)
Article DOI: 10.1016/S0968-0896(02)00561-8 BindingDB Entry DOI: 10.7270/Q2CV4G90 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50491101
(CHEMBL2377103)Show InChI InChI=1S/C17H13N5S/c18-15-13-9-12(8-11-4-2-1-3-5-11)23-17(13)22-16(21-15)14-10-19-6-7-20-14/h1-7,9-10H,8H2,(H2,18,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development, LLC
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A2a receptor expressed in CHOK1 cells assessed as inhibition of NECA/forskolin-induced cAMP accumulation incub... |
Bioorg Med Chem Lett 23: 2688-91 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.078 BindingDB Entry DOI: 10.7270/Q2222XPT |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50394722
(CHEMBL2165807)Show SMILES Nc1nc2-c3cc(Cc4cccnc4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H16N4O/c24-23-26-20(16-6-2-1-3-7-16)19-21(27-23)18-12-14(8-9-17(18)22(19)28)11-15-5-4-10-25-13-15/h1-10,12-13H,11H2,(H2,24,26,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL 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 |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description Antagonist activity at human Adenosine receptor A1 assessed as inhibition of cAMP production |
J Med Chem 55: 1402-17 (2012)
Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50394719
(CHEMBL2165800)Show SMILES Nc1nc2-c3cc(Cc4ccncc4F)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H15FN4O/c24-18-12-26-9-8-15(18)10-13-6-7-16-17(11-13)21-19(22(16)29)20(27-23(25)28-21)14-4-2-1-3-5-14/h1-9,11-12H,10H2,(H2,25,27,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description Antagonist activity at human Adenosine receptor A1 assessed as inhibition of cAMP production |
J Med Chem 55: 1402-17 (2012)
Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q |
More data for this Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM86183
(Dinapsoline,(+/-)-4-Methyl-N-propyl)Show SMILES CCCN1C[C@H]2c3ccc(O)c(O)c3Cc3ccc(C)c(C1)c23 Show InChI InChI=1S/C20H23NO2/c1-3-8-21-10-16-12(2)4-5-13-9-15-14(17(11-21)19(13)16)6-7-18(22)20(15)23/h4-7,17,22-23H,3,8-11H2,1-2H3/t17-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by PDSP Ki Database
| |
Bioorg Med Chem 11: 1451-64 (2003)
Article DOI: 10.1016/S0968-0896(02)00561-8 BindingDB Entry DOI: 10.7270/Q2CV4G90 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50316899
(2-amino-8-(4-methylpiperazin-1-yl)-4-phenyl-5H-ind...)Show SMILES CN1CCN(CC1)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1 Show InChI InChI=1S/C22H21N5O/c1-26-9-11-27(12-10-26)15-7-8-16-17(13-15)20-18(21(16)28)19(24-22(23)25-20)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H2,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL 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 |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonistic activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2868-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.024 BindingDB Entry DOI: 10.7270/Q27S7NXB |
More data for this Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM86178
((+/-)-2-propyldinapsoline hydrobromide | Dinapsoli...)Show InChI InChI=1S/C19H21NO2/c1-2-8-20-10-13-5-3-4-12-9-15-14(16(11-20)18(12)13)6-7-17(21)19(15)22/h3-7,16,21-22H,2,8-11H2,1H3/t16-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by PDSP Ki Database
| |
Bioorg Med Chem 11: 1451-64 (2003)
Article DOI: 10.1016/S0968-0896(02)00561-8 BindingDB Entry DOI: 10.7270/Q2CV4G90 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50316898
(2-amino-8-morpholino-4-phenyl-5H-indeno[1,2-d]pyri...)Show SMILES Nc1nc2-c3cc(ccc3C(=O)c2c(n1)-c1ccccc1)N1CCOCC1 Show InChI InChI=1S/C21H18N4O2/c22-21-23-18(13-4-2-1-3-5-13)17-19(24-21)16-12-14(6-7-15(16)20(17)26)25-8-10-27-11-9-25/h1-7,12H,8-11H2,(H2,22,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonistic activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2868-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.024 BindingDB Entry DOI: 10.7270/Q27S7NXB |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50491105
(CHEMBL2377110)Show InChI InChI=1S/C18H14ClN3OS/c1-10-6-7-15(23-10)17-21-16(20)13-9-12(24-18(13)22-17)8-11-4-2-3-5-14(11)19/h2-7,9H,8H2,1H3,(H2,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development, LLC
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A2a receptor expressed in CHOK1 cells assessed as inhibition of NECA/forskolin-induced cAMP accumulation incub... |
Bioorg Med Chem Lett 23: 2688-91 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.078 BindingDB Entry DOI: 10.7270/Q2222XPT |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50316895
(2-Amino-8-[2-(1,1-dioxo-1lambda*6*-thiomorpholin-4...)Show SMILES Nc1nc2-c3cc(NCCN4CCS(=O)(=O)CC4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H23N5O3S/c24-23-26-20(15-4-2-1-3-5-15)19-21(27-23)18-14-16(6-7-17(18)22(19)29)25-8-9-28-10-12-32(30,31)13-11-28/h1-7,14,25H,8-13H2,(H2,24,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL 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 |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonistic activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2868-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.024 BindingDB Entry DOI: 10.7270/Q27S7NXB |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50394723
(CHEMBL2165806)Show SMILES Nc1nc2-c3cc(CN4C5CCC4CC5)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C24H22N4O/c25-24-26-21(15-4-2-1-3-5-15)20-22(27-24)19-12-14(6-11-18(19)23(20)29)13-28-16-7-8-17(28)10-9-16/h1-6,11-12,16-17H,7-10,13H2,(H2,25,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL 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 |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production |
J Med Chem 55: 1402-17 (2012)
Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50491075
(CHEMBL2377111)Show InChI InChI=1S/C18H14FN3OS/c1-10-6-7-15(23-10)17-21-16(20)13-9-12(24-18(13)22-17)8-11-4-2-3-5-14(11)19/h2-7,9H,8H2,1H3,(H2,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development, LLC
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A2a receptor expressed in CHOK1 cells assessed as inhibition of NECA/forskolin-induced cAMP accumulation incub... |
Bioorg Med Chem Lett 23: 2688-91 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.078 BindingDB Entry DOI: 10.7270/Q2222XPT |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50330987
(2-amino-4-phenyl-8-(pyrrolidin-1-ylmethyl)-5H-inde...)Show SMILES Nc1nc2-c3cc(CN4CCCC4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C22H20N4O/c23-22-24-19(15-6-2-1-3-7-15)18-20(25-22)17-12-14(8-9-16(17)21(18)27)13-26-10-4-5-11-26/h1-3,6-9,12H,4-5,10-11,13H2,(H2,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL 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 |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production |
J Med Chem 55: 1402-17 (2012)
Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q |
More data for this Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM86177
(Dinapsoline,(+/-)-4-Methyl-N-allyl)Show SMILES Cc1ccc2Cc3c(O)c(O)ccc3[C@@H]3CN(CC=C)Cc1c23 Show InChI InChI=1S/C20H21NO2/c1-3-8-21-10-16-12(2)4-5-13-9-15-14(17(11-21)19(13)16)6-7-18(22)20(15)23/h3-7,17,22-23H,1,8-11H2,2H3/t17-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by PDSP Ki Database
| |
Bioorg Med Chem 11: 1451-64 (2003)
Article DOI: 10.1016/S0968-0896(02)00561-8 BindingDB Entry DOI: 10.7270/Q2CV4G90 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50316894
(2-amino-8-(2-morpholinoethylamino)-4-phenyl-5H-ind...)Show SMILES Nc1nc2-c3cc(NCCN4CCOCC4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H23N5O2/c24-23-26-20(15-4-2-1-3-5-15)19-21(27-23)18-14-16(6-7-17(18)22(19)29)25-8-9-28-10-12-30-13-11-28/h1-7,14,25H,8-13H2,(H2,24,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonistic activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2868-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.024 BindingDB Entry DOI: 10.7270/Q27S7NXB |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50316891
(2-amino-8-((2-(dimethylamino)ethyl)(methyl)amino)-...)Show SMILES CN(C)CCN(C)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1 Show InChI InChI=1S/C22H23N5O/c1-26(2)11-12-27(3)15-9-10-16-17(13-15)20-18(21(16)28)19(24-22(23)25-20)14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3,(H2,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL 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 |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonistic activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2868-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.024 BindingDB Entry DOI: 10.7270/Q27S7NXB |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50491100
(CHEMBL2377228)Show InChI InChI=1S/C16H12N4OS/c17-13-12-9-11(8-10-4-2-1-3-5-10)22-16(12)20-14(19-13)15-18-6-7-21-15/h1-7,9H,8H2,(H2,17,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development, LLC
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A2a receptor expressed in CHOK1 cells assessed as inhibition of NECA/forskolin-induced cAMP accumulation incub... |
Bioorg Med Chem Lett 23: 2688-91 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.078 BindingDB Entry DOI: 10.7270/Q2222XPT |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50316897
(2-amino-8-((1-ethylpiperidin-4-yl)(methyl)amino)-4...)Show SMILES CCN1CCC(CC1)N(C)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1 Show InChI InChI=1S/C25H27N5O/c1-3-30-13-11-17(12-14-30)29(2)18-9-10-19-20(15-18)23-21(24(19)31)22(27-25(26)28-23)16-7-5-4-6-8-16/h4-10,15,17H,3,11-14H2,1-2H3,(H2,26,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonistic activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2868-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.024 BindingDB Entry DOI: 10.7270/Q27S7NXB |
More data for this Ligand-Target Pair | |
D(1B) dopamine receptor
(RAT) | BDBM50117181
((S)-2,3,7,11b-Tetrahydro-1H-dibenzo[de,h]isoquinol...)Show InChI InChI=1S/C16H15NO2/c18-14-5-4-11-12(16(14)19)6-9-2-1-3-10-7-17-8-13(11)15(9)10/h1-5,13,17-19H,6-8H2/t13-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by PDSP Ki Database
| |
Bioorg Med Chem 11: 1451-64 (2003)
Article DOI: 10.1016/S0968-0896(02)00561-8 BindingDB Entry DOI: 10.7270/Q2CV4G90 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50394721
(CHEMBL2165808)Show SMILES Nc1nc2-c3cc(Cc4cncc(c4)C#N)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C24H15N5O/c25-11-16-9-15(12-27-13-16)8-14-6-7-18-19(10-14)22-20(23(18)30)21(28-24(26)29-22)17-4-2-1-3-5-17/h1-7,9-10,12-13H,8H2,(H2,26,28,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description Antagonist activity at human Adenosine receptor A1 assessed as inhibition of cAMP production |
J Med Chem 55: 1402-17 (2012)
Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM50049047
(5,6,6a,7,8,12b-Hexahydro-benzo[a]phenanthridine-10...)Show InChI InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by PDSP Ki Database
| |
Bioorg Med Chem 11: 1451-64 (2003)
Article DOI: 10.1016/S0968-0896(02)00561-8 BindingDB Entry DOI: 10.7270/Q2CV4G90 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50394720
(CHEMBL2165799)Show SMILES Nc1nc2-c3cc(Cc4cncc(F)c4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H15FN4O/c24-16-9-14(11-26-12-16)8-13-6-7-17-18(10-13)21-19(22(17)29)20(27-23(25)28-21)15-4-2-1-3-5-15/h1-7,9-12H,8H2,(H2,25,27,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description Antagonist activity at human Adenosine receptor A1 assessed as inhibition of cAMP production |
J Med Chem 55: 1402-17 (2012)
Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM50117181
((S)-2,3,7,11b-Tetrahydro-1H-dibenzo[de,h]isoquinol...)Show InChI InChI=1S/C16H15NO2/c18-14-5-4-11-12(16(14)19)6-9-2-1-3-10-7-17-8-13(11)15(9)10/h1-5,13,17-19H,6-8H2/t13-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by PDSP Ki Database
| |
Bioorg Med Chem 11: 1451-64 (2003)
Article DOI: 10.1016/S0968-0896(02)00561-8 BindingDB Entry DOI: 10.7270/Q2CV4G90 |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM50049047
(5,6,6a,7,8,12b-Hexahydro-benzo[a]phenanthridine-10...)Show InChI InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by PDSP Ki Database
| |
Bioorg Med Chem 11: 1451-64 (2003)
Article DOI: 10.1016/S0968-0896(02)00561-8 BindingDB Entry DOI: 10.7270/Q2CV4G90 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50491113
(CHEMBL2377091)Show SMILES COc1ccccc1Cc1cc2c(N)nc(nc2s1)-c1cccc(c1)C#N Show InChI InChI=1S/C21H16N4OS/c1-26-18-8-3-2-6-14(18)10-16-11-17-19(23)24-20(25-21(17)27-16)15-7-4-5-13(9-15)12-22/h2-9,11H,10H2,1H3,(H2,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development, LLC
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A2a receptor expressed in CHOK1 cells assessed as inhibition of NECA/forskolin-induced cAMP accumulation incub... |
Bioorg Med Chem Lett 23: 2688-91 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.078 BindingDB Entry DOI: 10.7270/Q2222XPT |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50316887
(2-amino-8-(2-morpholinoethoxy)-4-phenyl-5H-indeno[...)Show SMILES Nc1nc2-c3cc(OCCN4CCOCC4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H22N4O3/c24-23-25-20(15-4-2-1-3-5-15)19-21(26-23)18-14-16(6-7-17(18)22(19)28)30-13-10-27-8-11-29-12-9-27/h1-7,14H,8-13H2,(H2,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Antagonistic activity at adenosine A2A receptor |
Bioorg Med Chem Lett 20: 2868-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.024 BindingDB Entry DOI: 10.7270/Q27S7NXB |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50316887
(2-amino-8-(2-morpholinoethoxy)-4-phenyl-5H-indeno[...)Show SMILES Nc1nc2-c3cc(OCCN4CCOCC4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H22N4O3/c24-23-25-20(15-4-2-1-3-5-15)19-21(26-23)18-14-16(6-7-17(18)22(19)28)30-13-10-27-8-11-29-12-9-27/h1-7,14H,8-13H2,(H2,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production |
J Med Chem 55: 1402-17 (2012)
Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM86176
(Dihydrexidine, 4-methyl)Show SMILES Cc1cccc2[C@@H]3[C@H](CCc4cc(O)c(O)cc34)NCc12 |r| Show InChI InChI=1S/C18H19NO2/c1-10-3-2-4-12-14(10)9-19-15-6-5-11-7-16(20)17(21)8-13(11)18(12)15/h2-4,7-8,15,18-21H,5-6,9H2,1H3/t15-,18-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 6.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by PDSP Ki Database
| |
Bioorg Med Chem 11: 1451-64 (2003)
Article DOI: 10.1016/S0968-0896(02)00561-8 BindingDB Entry DOI: 10.7270/Q2CV4G90 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50491099
(CHEMBL2377232)Show InChI InChI=1S/C17H13ClN4S2/c1-9-8-23-17(20-9)15-21-14(19)12-7-11(24-16(12)22-15)6-10-4-2-3-5-13(10)18/h2-5,7-8H,6H2,1H3,(H2,19,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development, LLC
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A2a receptor expressed in CHOK1 cells assessed as inhibition of NECA/forskolin-induced cAMP accumulation incub... |
Bioorg Med Chem Lett 23: 2688-91 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.078 BindingDB Entry DOI: 10.7270/Q2222XPT |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50491098
(CHEMBL2377093)Show InChI InChI=1S/C20H13FN4S/c21-17-7-2-1-5-13(17)9-15-10-16-18(23)24-19(25-20(16)26-15)14-6-3-4-12(8-14)11-22/h1-8,10H,9H2,(H2,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 7.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development, LLC
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A2a receptor expressed in CHOK1 cells assessed as inhibition of NECA/forskolin-induced cAMP accumulation incub... |
Bioorg Med Chem Lett 23: 2688-91 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.078 BindingDB Entry DOI: 10.7270/Q2222XPT |
More data for this Ligand-Target Pair | |