Found 1182 hits with Last Name = 'knight' and Initial = 'ar' 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 |
|---|
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50169264
((4R,10aR)-7-Chloro-4,6-dimethyl-1,2,3,4,10,10a-hex...)Show InChI InChI=1S/C13H17ClN2/c1-8-6-15-7-11-5-10-3-4-12(14)9(2)13(10)16(8)11/h3-4,8,11,15H,5-7H2,1-2H3/t8-,11-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]-5HT from human recombinant 5HT2C receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 1207-11 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.083
BindingDB Entry DOI: 10.7270/Q21R6Q3T |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50169264
((4R,10aR)-7-Chloro-4,6-dimethyl-1,2,3,4,10,10a-hex...)Show InChI InChI=1S/C13H17ClN2/c1-8-6-15-7-11-5-10-3-4-12(14)9(2)13(10)16(8)11/h3-4,8,11,15H,5-7H2,1-2H3/t8-,11-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Research Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity toward 5-HT2C receptor evaluated by displacement of [3H]-5-HT radioligand |
Bioorg Med Chem Lett 15: 3604-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50200841
(CHEMBL220360 | MK-0364 | MK-0634 | N-((2S,3S)-4-(4...)Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccc(cn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C27H25ClF3N3O2/c1-17(34-25(35)26(2,3)36-24-12-9-21(16-33-24)27(29,30)31)23(14-18-7-10-22(28)11-8-18)20-6-4-5-19(13-20)15-32/h4-13,16-17,23H,14H2,1-3H3,(H,34,35)/t17-,23+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
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CHEMBL
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| PDB
Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]rimonabant from human CB1 receptor expressed in HEK293 cells by liquid scintillation counting |
Bioorg Med Chem Lett 19: 4183-90 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM86237
(CAS_8226 | METHYLERGONOVINE | NSC_8226)Show SMILES CCC(CO)NC(=O)C1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:23| Show InChI InChI=1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25) | PDB
MMDB
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| Purchase
PC cid
PC sid
PDB
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| Article
PubMed
| 0.350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Research
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 370: 114-23 (2004)
Article DOI: 10.1007/s00210-004-0951-4
BindingDB Entry DOI: 10.7270/Q2M32TBD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50031942
((6aR,9R)-4,6a,7-Trimethyl-4,6,6a,7,8,9-hexahydro-i...)Show SMILES CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34 |r,c:24| Show InChI InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1 | PDB
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| Article
PubMed
| 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Research
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 370: 114-23 (2004)
Article DOI: 10.1007/s00210-004-0951-4
BindingDB Entry DOI: 10.7270/Q2M32TBD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM86237
(CAS_8226 | METHYLERGONOVINE | NSC_8226)Show SMILES CCC(CO)NC(=O)C1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:23| Show InChI InChI=1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25) | PDB
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| Article
PubMed
| 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Research
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 370: 114-23 (2004)
Article DOI: 10.1007/s00210-004-0951-4
BindingDB Entry DOI: 10.7270/Q2M32TBD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM28582
(1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine | CHE...)Show InChI InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3 | PDB
MMDB
Reactome pathway
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CHEMBL
PC cid
PC sid
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| Article
PubMed
| 0.650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Research
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 370: 114-23 (2004)
Article DOI: 10.1007/s00210-004-0951-4
BindingDB Entry DOI: 10.7270/Q2M32TBD |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50254012
(3-(4-Amino-3-fluorobenzyl)-7-(2-furyl)-3H-[1,2,3]t...)Show InChI InChI=1S/C15H12FN7O/c16-9-6-8(3-4-10(9)17)7-23-14-13(21-22-23)12(19-15(18)20-14)11-2-1-5-24-11/h1-6H,7,17H2,(H2,18,19,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
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PC sid
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| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis R&D Ltd
Curated by ChEMBL
| Assay Description
Displacement of radioligand from human recombinant adenosine A2A receptor at 21 degC after 90 mins by cell-based microplate scintillation counting |
J Med Chem 52: 33-47 (2009)
Article DOI: 10.1021/jm800961g
BindingDB Entry DOI: 10.7270/Q2XG9R0B |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM86427
(CAS_50-37-3 | LSD | NSC_3981)Show SMILES CCN(CC)C(=O)C1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:22| Show InChI InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
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antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
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| PDB
Article
PubMed
| 0.760 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Research
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 370: 114-23 (2004)
Article DOI: 10.1007/s00210-004-0951-4
BindingDB Entry DOI: 10.7270/Q2M32TBD |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50179077
((4R,9aR)-6-bromo-4-methyl-1,2,3,4,9,9a-hexahydro-2...)Show InChI InChI=1S/C11H14BrN3/c1-7-5-13-6-9-4-8-2-3-10(12)14-11(8)15(7)9/h2-3,7,9,13H,4-6H2,1H3/t7-,9-/m1/s1 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]-5HT from human recombinant 5HT2C receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 1207-11 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.083
BindingDB Entry DOI: 10.7270/Q21R6Q3T |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM28582
(1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine | CHE...)Show InChI InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
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antibodypedia
GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 0.930 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Research
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 370: 114-23 (2004)
Article DOI: 10.1007/s00210-004-0951-4
BindingDB Entry DOI: 10.7270/Q2M32TBD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM86529
(CAS_113-15-5 | ERGOTAMINE | NSC_3251)Show SMILES CN1CC(C=C2C1Cc1c[nH]c3cccc2c13)C(=O)NC1(C)OC2(O)C3CCCN3C(=O)C(Cc3ccccc3)N2C1=O |c:4| Show InChI InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39) | PDB
MMDB
Reactome pathway
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PC cid
PC sid
PDB
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| Article
PubMed
| 0.980 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Research
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 370: 114-23 (2004)
Article DOI: 10.1007/s00210-004-0951-4
BindingDB Entry DOI: 10.7270/Q2M32TBD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM86427
(CAS_50-37-3 | LSD | NSC_3981)Show SMILES CCN(CC)C(=O)C1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:22| Show InChI InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3 | PDB
Reactome pathway
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| PC cid
PC sid
PDB
UniChem
Patents
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| PDB
Article
PubMed
| 0.980 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Research
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 370: 114-23 (2004)
Article DOI: 10.1007/s00210-004-0951-4
BindingDB Entry DOI: 10.7270/Q2M32TBD |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50377556
(CHEMBL411034)Show SMILES Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccccc3Cl)c2n1 Show InChI InChI=1S/C17H13ClN6O2/c18-11-5-2-1-4-10(11)8-20-17(25)24-9-21-14-13(12-6-3-7-26-12)22-16(19)23-15(14)24/h1-7,9H,8H2,(H,20,25)(H2,19,22,23) | 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 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity at human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 2924-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.072
BindingDB Entry DOI: 10.7270/Q23779KZ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50377557
(CHEMBL264432)Show SMILES Cc1ccc(CNC(=O)n2cnc3c(nc(N)nc23)-c2ccco2)cc1 Show InChI InChI=1S/C18H16N6O2/c1-11-4-6-12(7-5-11)9-20-18(25)24-10-21-15-14(13-3-2-8-26-13)22-17(19)23-16(15)24/h2-8,10H,9H2,1H3,(H,20,25)(H2,19,22,23) | 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 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity at human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 2924-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.072
BindingDB Entry DOI: 10.7270/Q23779KZ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50377558
(CHEMBL429144)Show SMILES Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccc(F)cc3)c2n1 Show InChI InChI=1S/C17H13FN6O2/c18-11-5-3-10(4-6-11)8-20-17(25)24-9-21-14-13(12-2-1-7-26-12)22-16(19)23-15(14)24/h1-7,9H,8H2,(H,20,25)(H2,19,22,23) | 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 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity at human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 2924-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.072
BindingDB Entry DOI: 10.7270/Q23779KZ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50239036
(2-amino-N-benzyl-6-(furan-2-yl)-9H-purine-9-carbox...)Show InChI InChI=1S/C17H14N6O2/c18-16-21-13(12-7-4-8-25-12)14-15(22-16)23(10-20-14)17(24)19-9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,19,24)(H2,18,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity at human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 2924-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.072
BindingDB Entry DOI: 10.7270/Q23779KZ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50254353
(3-(4-Amino-3-ethylbenzyl)-7-(2-furyl)-3H-[1,2,3]tr...)Show InChI InChI=1S/C17H17N7O/c1-2-11-8-10(5-6-12(11)18)9-24-16-15(22-23-24)14(20-17(19)21-16)13-4-3-7-25-13/h3-8H,2,9,18H2,1H3,(H2,19,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Vernalis R&D Ltd
Curated by ChEMBL
| Assay Description
Displacement of radioligand from human recombinant adenosine A2A receptor at 21 degC after 90 mins by cell-based microplate scintillation counting |
J Med Chem 52: 33-47 (2009)
Article DOI: 10.1021/jm800961g
BindingDB Entry DOI: 10.7270/Q2XG9R0B |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50377543
(CHEMBL260146)Show InChI InChI=1S/C17H14N6O2/c18-16-21-14(13-7-4-8-25-13)12-10-20-23(15(12)22-16)17(24)19-9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,19,24)(H2,18,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity at human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 2924-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.072
BindingDB Entry DOI: 10.7270/Q23779KZ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50377566
(CHEMBL259049)Show SMILES Cc1cccc(CNC(=O)n2cnc3c(nc(N)nc23)-c2ccco2)c1 Show InChI InChI=1S/C18H16N6O2/c1-11-4-2-5-12(8-11)9-20-18(25)24-10-21-15-14(13-6-3-7-26-13)22-17(19)23-16(15)24/h2-8,10H,9H2,1H3,(H,20,25)(H2,19,22,23) | PDB
MMDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity at human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 2924-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.072
BindingDB Entry DOI: 10.7270/Q23779KZ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50377567
(CHEMBL409915)Show InChI InChI=1S/C15H12N6O2S/c16-14-19-11(10-4-1-5-23-10)12-13(20-14)21(8-18-12)15(22)17-7-9-3-2-6-24-9/h1-6,8H,7H2,(H,17,22)(H2,16,19,20) | PDB
MMDB
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PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity at human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 2924-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.072
BindingDB Entry DOI: 10.7270/Q23779KZ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50377538
(CHEMBL257757)Show InChI InChI=1S/C16H12ClN5O/c17-11-4-1-3-10(7-11)9-22-15-12(8-19-22)14(20-16(18)21-15)13-5-2-6-23-13/h1-8H,9H2,(H2,18,20,21) | PDB
MMDB
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Reactome pathway
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| CHEMBL
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UniChem
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PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity at human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 2924-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.072
BindingDB Entry DOI: 10.7270/Q23779KZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50249134
(4-(4-fluoronaphthalen-1-yl)-6-isopropylpyrimidin-2...)Show InChI InChI=1S/C17H16FN3/c1-10(2)15-9-16(21-17(19)20-15)13-7-8-14(18)12-6-4-3-5-11(12)13/h3-10H,1-2H3,(H2,19,20,21) | PDB
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| 1.07 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Research
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 370: 114-23 (2004)
Article DOI: 10.1007/s00210-004-0951-4
BindingDB Entry DOI: 10.7270/Q2M32TBD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM86427
(CAS_50-37-3 | LSD | NSC_3981)Show SMILES CCN(CC)C(=O)C1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:22| Show InChI InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3 | PDB
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| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Research
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 370: 114-23 (2004)
Article DOI: 10.1007/s00210-004-0951-4
BindingDB Entry DOI: 10.7270/Q2M32TBD |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50254398
(7-(2-Furyl)-3-(5-indolylmethyl)-3H-[1,2,3]triazolo...)Show SMILES Nc1nc(-c2ccco2)c2nnn(Cc3ccc4[nH]ccc4c3)c2n1 Show InChI InChI=1S/C17H13N7O/c18-17-20-14(13-2-1-7-25-13)15-16(21-17)24(23-22-15)9-10-3-4-12-11(8-10)5-6-19-12/h1-8,19H,9H2,(H2,18,20,21) | PDB
MMDB
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| CHEMBL
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| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis R&D Ltd
Curated by ChEMBL
| Assay Description
Displacement of radioligand from human recombinant adenosine A2A receptor at 21 degC after 90 mins by cell-based microplate scintillation counting |
J Med Chem 52: 33-47 (2009)
Article DOI: 10.1021/jm800961g
BindingDB Entry DOI: 10.7270/Q2XG9R0B |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50005257
((+)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethy...)Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3 | PDB
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PubMed
| 1.17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Research
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 370: 114-23 (2004)
Article DOI: 10.1007/s00210-004-0951-4
BindingDB Entry DOI: 10.7270/Q2M32TBD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM86529
(CAS_113-15-5 | ERGOTAMINE | NSC_3251)Show SMILES CN1CC(C=C2C1Cc1c[nH]c3cccc2c13)C(=O)NC1(C)OC2(O)C3CCCN3C(=O)C(Cc3ccccc3)N2C1=O |c:4| Show InChI InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39) | PDB
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| 1.29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Research
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 370: 114-23 (2004)
Article DOI: 10.1007/s00210-004-0951-4
BindingDB Entry DOI: 10.7270/Q2M32TBD |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50254013
(3-(4-Amino-3-methylbenzyl)-7-(2-furyl)-3H-[1,2,3]t...)Show InChI InChI=1S/C16H15N7O/c1-9-7-10(4-5-11(9)17)8-23-15-14(21-22-23)13(19-16(18)20-15)12-3-2-6-24-12/h2-7H,8,17H2,1H3,(H2,18,19,20) | PDB
MMDB
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| PDB
Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis R&D Ltd
Curated by ChEMBL
| Assay Description
Displacement of radioligand from human recombinant adenosine A2A receptor at 21 degC after 90 mins by cell-based microplate scintillation counting |
J Med Chem 52: 33-47 (2009)
Article DOI: 10.1021/jm800961g
BindingDB Entry DOI: 10.7270/Q2XG9R0B |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50169263
((4R,10aR)-4,7-Dimethyl-1,2,3,4,10,10a-hexahydro-py...)Show InChI InChI=1S/C13H18N2/c1-9-3-4-11-6-12-8-14-7-10(2)15(12)13(11)5-9/h3-5,10,12,14H,6-8H2,1-2H3/t10-,12-/m1/s1 | PDB
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Research Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity toward 5-HT2C receptor evaluated by displacement of [3H]-5-HT radioligand |
Bioorg Med Chem Lett 15: 3604-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50377502
(CHEMBL406315)Show InChI InChI=1S/C12H12N4S2/c1-7-6-18-11(13-7)9-10-8(4-5-17-10)14-12(15-9)16(2)3/h4-6H,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
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PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity at human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 2920-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.076
BindingDB Entry DOI: 10.7270/Q270829P |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50169266
((4R,10aR)-4-Methyl-7-trifluoromethyl-1,2,3,4,10,10...)Show InChI InChI=1S/C13H15F3N2/c1-8-6-17-7-11-4-9-2-3-10(13(14,15)16)5-12(9)18(8)11/h2-3,5,8,11,17H,4,6-7H2,1H3/t8-,11-/m1/s1 | PDB
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PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Research Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity toward 5-HT2C receptor evaluated by displacement of [3H]-5-HT radioligand |
Bioorg Med Chem Lett 15: 3604-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50238959
(2-isopropyl-4-(thiazol-2-yl)thieno[3,2-d]pyrimidin...)Show InChI InChI=1S/C12H11N3S2/c1-7(2)11-14-8-3-5-16-10(8)9(15-11)12-13-4-6-17-12/h3-7H,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity at human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 2920-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.076
BindingDB Entry DOI: 10.7270/Q270829P |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50254354
(3-(4-Amino-3-isopropylbenzyl)-7-(2-furyl)-3H-[1,2,...)Show SMILES CC(C)c1cc(Cn2nnc3c(nc(N)nc23)-c2ccco2)ccc1N Show InChI InChI=1S/C18H19N7O/c1-10(2)12-8-11(5-6-13(12)19)9-25-17-16(23-24-25)15(21-18(20)22-17)14-4-3-7-26-14/h3-8,10H,9,19H2,1-2H3,(H2,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis R&D Ltd
Curated by ChEMBL
| Assay Description
Displacement of radioligand from human recombinant adenosine A2A receptor at 21 degC after 90 mins by cell-based microplate scintillation counting |
J Med Chem 52: 33-47 (2009)
Article DOI: 10.1021/jm800961g
BindingDB Entry DOI: 10.7270/Q2XG9R0B |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50169267
((R)-7-Chloro-6-methyl-1,2,3,4,10,10a-hexahydro-pyr...)Show InChI InChI=1S/C12H15ClN2/c1-8-11(13)3-2-9-6-10-7-14-4-5-15(10)12(8)9/h2-3,10,14H,4-7H2,1H3/t10-/m1/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
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 |
Vernalis Research Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity toward 5-HT2C receptor evaluated by displacement of [3H]-5-HT radioligand |
Bioorg Med Chem Lett 15: 3604-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50254009
(3-(4-Aminobenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[4...)Show InChI InChI=1S/C15H13N7O/c16-10-5-3-9(4-6-10)8-22-14-13(20-21-22)12(18-15(17)19-14)11-2-1-7-23-11/h1-7H,8,16H2,(H2,17,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis R&D Ltd
Curated by ChEMBL
| Assay Description
Displacement of radioligand from human recombinant adenosine A2A receptor at 21 degC after 90 mins by cell-based microplate scintillation counting |
J Med Chem 52: 33-47 (2009)
Article DOI: 10.1021/jm800961g
BindingDB Entry DOI: 10.7270/Q2XG9R0B |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50179080
((4R,9aR)-6-chloro-4-methyl-1,2,3,4,9,9a-hexahydro-...)Show InChI InChI=1S/C11H14ClN3/c1-7-5-13-6-9-4-8-2-3-10(12)14-11(8)15(7)9/h2-3,7,9,13H,4-6H2,1H3/t7-,9-/m1/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
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PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]-5HT from human recombinant 5HT2C receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 1207-11 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.083
BindingDB Entry DOI: 10.7270/Q21R6Q3T |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50176272
((S)-1-(1H-pyrrolo[2,3-f]quinolin-1-yl)propan-2-ami...)Show InChI InChI=1S/C14H15N3/c1-10(15)9-17-8-6-11-4-5-13-12(14(11)17)3-2-7-16-13/h2-8,10H,9,15H2,1H3/t10-/m0/s1 | PDB
Reactome pathway
KEGG
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PC cid
PC sid
UniChem
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| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human 5HT2C |
Bioorg Med Chem Lett 16: 677-80 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50254355
(3-(4-Amino-3-hydroxybenzyl)-7-(2-furyl)-3H-[1,2,3]...)Show InChI InChI=1S/C15H13N7O2/c16-9-4-3-8(6-10(9)23)7-22-14-13(20-21-22)12(18-15(17)19-14)11-2-1-5-24-11/h1-6,23H,7,16H2,(H2,17,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis R&D Ltd
Curated by ChEMBL
| Assay Description
Displacement of radioligand from human recombinant adenosine A2A receptor at 21 degC after 90 mins by cell-based microplate scintillation counting |
J Med Chem 52: 33-47 (2009)
Article DOI: 10.1021/jm800961g
BindingDB Entry DOI: 10.7270/Q2XG9R0B |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50254356
(7-(2-Furyl)-3-(4-(N-methylamino)benzyl)-3H-[1,2,3]...)Show InChI InChI=1S/C16H15N7O/c1-18-11-6-4-10(5-7-11)9-23-15-14(21-22-23)13(19-16(17)20-15)12-3-2-8-24-12/h2-8,18H,9H2,1H3,(H2,17,19,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis R&D Ltd
Curated by ChEMBL
| Assay Description
Displacement of radioligand from human recombinant adenosine A2A receptor at 21 degC after 90 mins by cell-based microplate scintillation counting |
J Med Chem 52: 33-47 (2009)
Article DOI: 10.1021/jm800961g
BindingDB Entry DOI: 10.7270/Q2XG9R0B |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50377492
(CHEMBL407650)Show InChI InChI=1S/C11H9N3S2/c1-2-8-13-7-3-5-15-10(7)9(14-8)11-12-4-6-16-11/h3-6H,2H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity at human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 2920-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.076
BindingDB Entry DOI: 10.7270/Q270829P |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50169259
((4R,10aR)-4,6,7-Trimethyl-1,2,3,4,10,10a-hexahydro...)Show InChI InChI=1S/C14H20N2/c1-9-4-5-12-6-13-8-15-7-10(2)16(13)14(12)11(9)3/h4-5,10,13,15H,6-8H2,1-3H3/t10-,13-/m1/s1 | PDB
Reactome pathway
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| CHEMBL
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PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Research Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity toward 5-HT2C receptor evaluated by displacement of [3H]-5-HT radioligand |
Bioorg Med Chem Lett 15: 3604-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM86523
(CAS_17692-51-2 | METERGOLINE | NSC_28693)Show SMILES CN1CC(CNC(=O)OCc2ccccc2)CC2C1Cc1cn(C)c3cccc2c13 Show InChI InChI=1S/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29) | PDB
Reactome pathway
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UniChem
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| Article
PubMed
| 1.78 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Research
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 370: 114-23 (2004)
Article DOI: 10.1007/s00210-004-0951-4
BindingDB Entry DOI: 10.7270/Q2M32TBD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM86523
(CAS_17692-51-2 | METERGOLINE | NSC_28693)Show SMILES CN1CC(CNC(=O)OCc2ccccc2)CC2C1Cc1cn(C)c3cccc2c13 Show InChI InChI=1S/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29) | PDB
Reactome pathway
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UniChem
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| Article
PubMed
| 1.78 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Research
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 370: 114-23 (2004)
Article DOI: 10.1007/s00210-004-0951-4
BindingDB Entry DOI: 10.7270/Q2M32TBD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21278
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30) | PDB
NCI pathway
Reactome pathway
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CHEMBL
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| DrugBank
Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 1199-206 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.133
BindingDB Entry DOI: 10.7270/Q20000N4 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50254004
(7-(2-Furyl)-3-(3-methoxybenzyl)-3H-[1,2,3]triazolo...)Show InChI InChI=1S/C16H14N6O2/c1-23-11-5-2-4-10(8-11)9-22-15-14(20-21-22)13(18-16(17)19-15)12-6-3-7-24-12/h2-8H,9H2,1H3,(H2,17,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
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UniChem
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| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis R&D Ltd
Curated by ChEMBL
| Assay Description
Displacement of radioligand from human recombinant adenosine A2A receptor at 21 degC after 90 mins by cell-based microplate scintillation counting |
J Med Chem 52: 33-47 (2009)
Article DOI: 10.1021/jm800961g
BindingDB Entry DOI: 10.7270/Q2XG9R0B |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM86527
(CAS_64795-35-3 | MESULERGINE | NSC_68848)Show SMILES CN(C)S(=O)(=O)NC1CC2C(Cc3cn(C)c4cccc2c34)N(C)C1 Show InChI InChI=1S/C18H26N4O2S/c1-20(2)25(23,24)19-13-9-15-14-6-5-7-16-18(14)12(10-21(16)3)8-17(15)22(4)11-13/h5-7,10,13,15,17,19H,8-9,11H2,1-4H3 | PDB
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PubMed
| 1.82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Research
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 370: 114-23 (2004)
Article DOI: 10.1007/s00210-004-0951-4
BindingDB Entry DOI: 10.7270/Q2M32TBD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50232153
((1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethox...)Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3 | PDB
MMDB
Reactome pathway
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CHEMBL
PC cid
PC sid
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| Article
PubMed
| 1.86 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Research
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 370: 114-23 (2004)
Article DOI: 10.1007/s00210-004-0951-4
BindingDB Entry DOI: 10.7270/Q2M32TBD |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50254300
(3-(2,6-Difluorobenzyl)-7-(2-furyl)-3H-[1,2,3]triaz...)Show InChI InChI=1S/C15H10F2N6O/c16-9-3-1-4-10(17)8(9)7-23-14-13(21-22-23)12(19-15(18)20-14)11-5-2-6-24-11/h1-6H,7H2,(H2,18,19,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis R&D Ltd
Curated by ChEMBL
| Assay Description
Displacement of radioligand from human recombinant adenosine A2A receptor at 21 degC after 90 mins by cell-based microplate scintillation counting |
J Med Chem 52: 33-47 (2009)
Article DOI: 10.1021/jm800961g
BindingDB Entry DOI: 10.7270/Q2XG9R0B |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50254295
(3-Benzyl-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyri...)Show InChI InChI=1S/C15H12N6O/c16-15-17-12(11-7-4-8-22-11)13-14(18-15)21(20-19-13)9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,16,17,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis R&D Ltd
Curated by ChEMBL
| Assay Description
Displacement of radioligand from human recombinant adenosine A2A receptor at 21 degC after 90 mins by cell-based microplate scintillation counting |
J Med Chem 52: 33-47 (2009)
Article DOI: 10.1021/jm800961g
BindingDB Entry DOI: 10.7270/Q2XG9R0B |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50169261
((4R,10aS)-7-Chloro-4,6-dimethyl-1,2,3,4,10,10a-hex...)Show InChI InChI=1S/C13H17ClN2/c1-8-6-15-7-11-5-10-3-4-12(14)9(2)13(10)16(8)11/h3-4,8,11,15H,5-7H2,1-2H3/t8-,11+/m1/s1 | PDB
Reactome pathway
KEGG
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GoogleScholar
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Research Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity toward 5-HT2C receptor evaluated by displacement of [3H]-5-HT radioligand |
Bioorg Med Chem Lett 15: 3604-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87 |
More data for this
Ligand-Target Pair | |
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