Found 2835 hits with Last Name = 'semple' and Initial = 'g' 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 |
|---|
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50374104
(CHEMBL255962)Show SMILES CC1CCCN1CCc1ccc(cc1)C1=CCC2CN(Cc3ccccc3)CC12 |w:17.18,28.30,1.0,t:16| Show InChI InChI=1S/C27H34N2/c1-21-6-5-16-29(21)17-15-22-9-11-24(12-10-22)26-14-13-25-19-28(20-27(25)26)18-23-7-3-2-4-8-23/h2-4,7-12,14,21,25,27H,5-6,13,15-20H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex |
Bioorg Med Chem Lett 18: 1490-4 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50374100
(CHEMBL270011)Show SMILES C(Cc1ccc(cc1)C1=CC[C@H]2CN(Cc3ccccc3)C[C@@H]12)N1CCCC1 |t:9| Show InChI InChI=1S/C26H32N2/c1-2-6-22(7-3-1)18-28-19-24-12-13-25(26(24)20-28)23-10-8-21(9-11-23)14-17-27-15-4-5-16-27/h1-3,6-11,13,24,26H,4-5,12,14-20H2/t24-,26+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex |
Bioorg Med Chem Lett 18: 1490-4 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50232355
((3aR,6aR)-2-(cyclopropylmethyl)-6-(4-(2-(pyrrolidi...)Show SMILES C(Cc1ccc(cc1)C1=CC[C@H]2CN(CC3CC3)C[C@@H]12)N1CCCC1 |r,t:9| Show InChI InChI=1S/C23H32N2/c1-2-13-24(12-1)14-11-18-5-7-20(8-6-18)22-10-9-21-16-25(17-23(21)22)15-19-3-4-19/h5-8,10,19,21,23H,1-4,9,11-17H2/t21-,23+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex |
Bioorg Med Chem Lett 18: 1490-4 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50232355
((3aR,6aR)-2-(cyclopropylmethyl)-6-(4-(2-(pyrrolidi...)Show SMILES C(Cc1ccc(cc1)C1=CC[C@H]2CN(CC3CC3)C[C@@H]12)N1CCCC1 |r,t:9| Show InChI InChI=1S/C23H32N2/c1-2-13-24(12-1)14-11-18-5-7-20(8-6-18)22-10-9-21-16-25(17-23(21)22)15-19-3-4-19/h5-8,10,19,21,23H,1-4,9,11-17H2/t21-,23+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex membrane |
Bioorg Med Chem Lett 18: 4133-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.086
BindingDB Entry DOI: 10.7270/Q2C82942 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50374110
(CHEMBL401954)Show SMILES C(Cc1ccc(cc1)C1=CC[C@H]2CN(C[C@@H]12)C1CCCC1)N1CCCC1 |t:9| Show InChI InChI=1S/C24H34N2/c1-2-6-22(5-1)26-17-21-11-12-23(24(21)18-26)20-9-7-19(8-10-20)13-16-25-14-3-4-15-25/h7-10,12,21-22,24H,1-6,11,13-18H2/t21-,24+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex |
Bioorg Med Chem Lett 18: 1490-4 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50232355
((3aR,6aR)-2-(cyclopropylmethyl)-6-(4-(2-(pyrrolidi...)Show SMILES C(Cc1ccc(cc1)C1=CC[C@H]2CN(CC3CC3)C[C@@H]12)N1CCCC1 |r,t:9| Show InChI InChI=1S/C23H32N2/c1-2-13-24(12-1)14-11-18-5-7-20(8-6-18)22-10-9-21-16-25(17-23(21)22)15-19-3-4-19/h5-8,10,19,21,23H,1-4,9,11-17H2/t21-,23+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex |
Bioorg Med Chem Lett 18: 1490-4 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50301481
(1-(4-chlorophenyl)-3-(4-(2-(4-methoxypiperidin-1-y...)Show SMILES COC1CCN(CCOc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2-c2ccnn2C)CC1 Show InChI InChI=1S/C25H30ClN5O3/c1-30-23(9-12-27-30)22-17-20(29-25(32)28-19-5-3-18(26)4-6-19)7-8-24(22)34-16-15-31-13-10-21(33-2)11-14-31/h3-9,12,17,21H,10-11,13-16H2,1-2H3,(H2,28,29,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells |
Bioorg Med Chem Lett 19: 5486-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50289410
(CHEMBL26544 | Peptidic phenyl ketoether analogue)Show SMILES CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)COc1ccccc1 Show InChI InChI=1S/C30H33N3O7/c1-18(2)27(33-29(38)22-14-13-20-9-7-8-10-21(20)15-22)30(39)31-19(3)28(37)32-24(16-26(35)36)25(34)17-40-23-11-5-4-6-12-23/h4-15,18-19,24,27H,16-17H2,1-3H3,(H,31,39)(H,32,37)(H,33,38)(H,35,36)/t19-,24?,27-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Reversible inhibition of recombinant human IL-1 beta converting enzyme. |
Bioorg Med Chem Lett 7: 1337-1342 (1997)
Article DOI: 10.1016/S0960-894X(97)00220-5
BindingDB Entry DOI: 10.7270/Q2DN452C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50289397
(3-[(1-{3-Methyl-2-[(naphthalene-2-carbonyl)-amino]...)Show SMILES CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N1CCCC[C@H]1C(=O)NC(CC(O)=O)C(=O)COc1ccccc1 Show InChI InChI=1S/C33H37N3O7/c1-21(2)30(35-31(40)24-16-15-22-10-6-7-11-23(22)18-24)33(42)36-17-9-8-14-27(36)32(41)34-26(19-29(38)39)28(37)20-43-25-12-4-3-5-13-25/h3-7,10-13,15-16,18,21,26-27,30H,8-9,14,17,19-20H2,1-2H3,(H,34,41)(H,35,40)(H,38,39)/t26?,27-,30-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Reversible inhibition of recombinant human IL-1 beta converting enzyme. |
Bioorg Med Chem Lett 7: 1337-1342 (1997)
Article DOI: 10.1016/S0960-894X(97)00220-5
BindingDB Entry DOI: 10.7270/Q2DN452C |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50301506
(1-(3-(4-chloro-1-methyl-1H-pyrazol-5-yl)-4-(2-morp...)Show SMILES Cn1ncc(Cl)c1-c1cc(NC(=O)Nc2ccc(F)cc2F)ccc1OCCN1CCOCC1 |(27.36,-35.94,;27.33,-37.48,;28.56,-38.41,;28.05,-39.87,;26.51,-39.83,;25.57,-41.06,;26.07,-38.36,;24.62,-37.84,;23.29,-38.61,;21.95,-37.84,;20.62,-38.61,;19.29,-37.85,;19.29,-36.31,;17.96,-38.62,;16.62,-37.85,;16.61,-36.3,;15.28,-35.54,;13.95,-36.31,;12.62,-35.54,;13.95,-37.85,;15.28,-38.62,;15.28,-40.16,;21.95,-36.31,;23.27,-35.53,;24.62,-36.3,;25.95,-35.53,;25.94,-33.99,;27.28,-33.21,;28.61,-33.97,;29.37,-35.3,;30.89,-35.31,;31.67,-33.99,;30.9,-32.66,;29.37,-32.65,)| Show InChI InChI=1S/C23H24ClF2N5O3/c1-30-22(18(24)14-27-30)17-13-16(28-23(32)29-20-4-2-15(25)12-19(20)26)3-5-21(17)34-11-8-31-6-9-33-10-7-31/h2-5,12-14H,6-11H2,1H3,(H2,28,29,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells |
Bioorg Med Chem Lett 19: 5486-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50301511
(1-(4-chlorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)...)Show SMILES Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCC1 Show InChI InChI=1S/C23H26ClN5O2/c1-28-21(10-11-25-28)20-16-19(27-23(30)26-18-6-4-17(24)5-7-18)8-9-22(20)31-15-14-29-12-2-3-13-29/h4-11,16H,2-3,12-15H2,1H3,(H2,26,27,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells |
Bioorg Med Chem Lett 19: 5486-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM472930
((R)-4-propyl-6,6a,7,8,9,10-hexahydro-5H- pyrazino[...)Show InChI InChI=1S/C14H21N3/c1-2-3-11-6-7-16-14-13(11)5-4-12-10-15-8-9-17(12)14/h6-7,12,15H,2-5,8-10H2,1H3/t12-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]-DOI from recombinant human 5HT2CR transfected in human HEK293 cells incubated for 45 mins by radioligand binding assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127872
BindingDB Entry DOI: 10.7270/Q2SF30VK |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50374102
(CHEMBL402297)Show SMILES OC[C@@H]1CCCN1CCc1ccc(cc1)C1=CCC2CN(Cc3ccccc3)CC12 |w:18.19,29.31,t:17| Show InChI InChI=1S/C27H34N2O/c30-20-25-7-4-15-29(25)16-14-21-8-10-23(11-9-21)26-13-12-24-18-28(19-27(24)26)17-22-5-2-1-3-6-22/h1-3,5-6,8-11,13,24-25,27,30H,4,7,12,14-20H2/t24?,25-,27?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex |
Bioorg Med Chem Lett 18: 1490-4 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50361235
(CHEMBL1934525)Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)CC1CCOCC1 |r| Show InChI InChI=1S/C25H33NO3S/c1-20-3-2-15-26(20)16-12-21-4-6-23(7-5-21)24-8-10-25(11-9-24)30(27,28)19-22-13-17-29-18-14-22/h4-11,20,22H,2-3,12-19H2,1H3/t20-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of N-[3H]-methylhistamine from histamine H3 receptor in rat cortex membranes |
Bioorg Med Chem Lett 22: 71-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.075
BindingDB Entry DOI: 10.7270/Q27M08C7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50301502
(1-(3-(4-bromo-1-methyl-1H-pyrazol-5-yl)-4-(2-(pyrr...)Show SMILES Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(F)cc2F)ccc1OCCN1CCCC1 |(28.77,-15.18,;28.73,-16.71,;29.96,-17.65,;29.45,-19.1,;27.91,-19.07,;26.98,-20.29,;27.47,-17.59,;26.02,-17.07,;24.69,-17.84,;23.36,-17.07,;22.03,-17.85,;20.69,-17.08,;20.69,-15.54,;19.36,-17.85,;18.03,-17.08,;18.02,-15.53,;16.69,-14.77,;15.36,-15.54,;14.02,-14.77,;15.35,-17.08,;16.69,-17.85,;16.69,-19.39,;23.35,-15.54,;24.68,-14.76,;26.02,-15.53,;27.35,-14.76,;27.35,-13.22,;28.68,-12.44,;30.02,-13.21,;30.19,-14.73,;31.69,-15.05,;32.46,-13.71,;31.42,-12.57,)| Show InChI InChI=1S/C23H24BrF2N5O2/c1-30-22(18(24)14-27-30)17-13-16(5-7-21(17)33-11-10-31-8-2-3-9-31)28-23(32)29-20-6-4-15(25)12-19(20)26/h4-7,12-14H,2-3,8-11H2,1H3,(H2,28,29,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells |
Bioorg Med Chem Lett 19: 5486-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50352357
(CHEMBL558655)Show SMILES CC1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NCc1ccncc1 Show InChI InChI=1S/C25H29N3O2S/c1-20-3-2-17-28(20)18-14-21-4-6-23(7-5-21)24-8-10-25(11-9-24)31(29,30)27-19-22-12-15-26-16-13-22/h4-13,15-16,20,27H,2-3,14,17-19H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.182 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex membrane |
J Med Chem 52: 5603-11 (2009)
Article DOI: 10.1021/jm900857n
BindingDB Entry DOI: 10.7270/Q2KW5G2F |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50301517
(1-(4-chlorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)...)Show SMILES Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCOCC1 Show InChI InChI=1S/C23H26ClN5O3/c1-28-21(8-9-25-28)20-16-19(27-23(30)26-18-4-2-17(24)3-5-18)6-7-22(20)32-15-12-29-10-13-31-14-11-29/h2-9,16H,10-15H2,1H3,(H2,26,27,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells |
Bioorg Med Chem Lett 19: 5486-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50289398
(CHEMBL553107 | Peptidic phenyl ketoether analogue)Show SMILES CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N1CCC[C@H]1C(=O)NC(CC(O)=O)C(=O)COc1ccccc1 Show InChI InChI=1S/C32H35N3O7/c1-20(2)29(34-30(39)23-15-14-21-9-6-7-10-22(21)17-23)32(41)35-16-8-13-26(35)31(40)33-25(18-28(37)38)27(36)19-42-24-11-4-3-5-12-24/h3-7,9-12,14-15,17,20,25-26,29H,8,13,16,18-19H2,1-2H3,(H,33,40)(H,34,39)(H,37,38)/t25?,26-,29-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Reversible inhibition of recombinant human IL-1 beta converting enzyme. |
Bioorg Med Chem Lett 7: 1337-1342 (1997)
Article DOI: 10.1016/S0960-894X(97)00220-5
BindingDB Entry DOI: 10.7270/Q2DN452C |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50361237
(CHEMBL1934527)Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)CC1CCCCO1 |r| Show InChI InChI=1S/C25H33NO3S/c1-20-5-4-16-26(20)17-15-21-7-9-22(10-8-21)23-11-13-25(14-12-23)30(27,28)19-24-6-2-3-18-29-24/h7-14,20,24H,2-6,15-19H2,1H3/t20-,24?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of N-[3H]-methylhistamine from histamine H3 receptor in rat cortex membranes |
Bioorg Med Chem Lett 22: 71-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.075
BindingDB Entry DOI: 10.7270/Q27M08C7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50301476
(1-(4-(2-(1,4-oxazepan-4-yl)ethoxy)-3-(1-methyl-1H-...)Show SMILES Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCOCC1 Show InChI InChI=1S/C24H28ClN5O3/c1-29-22(9-10-26-29)21-17-20(28-24(31)27-19-5-3-18(25)4-6-19)7-8-23(21)33-16-13-30-11-2-14-32-15-12-30/h3-10,17H,2,11-16H2,1H3,(H2,27,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells |
Bioorg Med Chem Lett 19: 5486-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50301495
(1-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-...)Show SMILES Cn1nccc1-c1cc(NC(=O)Nc2cccc(c2)C(F)(F)F)ccc1OCCN1CCCCC1 Show InChI InChI=1S/C25H28F3N5O2/c1-32-22(10-11-29-32)21-17-20(8-9-23(21)35-15-14-33-12-3-2-4-13-33)31-24(34)30-19-7-5-6-18(16-19)25(26,27)28/h5-11,16-17H,2-4,12-15H2,1H3,(H2,30,31,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells |
Bioorg Med Chem Lett 19: 5486-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50459718
(CHEMBL4213379 | US10836764, Compound 106)Show InChI InChI=1S/C18H21N3/c1-2-4-14(5-3-1)12-15-8-9-20-18-17(15)7-6-16-13-19-10-11-21(16)18/h1-5,8-9,16,19H,6-7,10-13H2/t16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]-DOI from recombinant human 5HT2CR transfected in human HEK293 cells incubated for 45 mins by radioligand binding assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127872
BindingDB Entry DOI: 10.7270/Q2SF30VK |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50301510
(1-(3-(4-chloro-1-methyl-1H-pyrazol-5-yl)-4-(2-(pyr...)Show SMILES Cn1ncc(Cl)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCC1 |(29.87,3.61,;29.84,2.07,;31.07,1.14,;30.56,-.32,;29.02,-.28,;28.09,-1.51,;28.58,1.19,;27.13,1.71,;25.8,.94,;24.47,1.71,;23.13,.94,;21.8,1.7,;21.8,3.24,;20.47,.93,;19.13,1.7,;17.8,.93,;16.46,1.7,;16.46,3.24,;15.13,4.01,;17.79,4.01,;19.13,3.25,;24.46,3.24,;25.79,4.02,;27.13,3.25,;28.46,4.02,;28.46,5.56,;29.79,6.34,;31.12,5.57,;31.6,4.11,;33.14,4.12,;33.61,5.59,;32.36,6.49,)| Show InChI InChI=1S/C23H25Cl2N5O2/c1-29-22(20(25)15-26-29)19-14-18(28-23(31)27-17-6-4-16(24)5-7-17)8-9-21(19)32-13-12-30-10-2-3-11-30/h4-9,14-15H,2-3,10-13H2,1H3,(H2,27,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells |
Bioorg Med Chem Lett 19: 5486-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50301509
(1-(3-(4-bromo-1-methyl-1H-pyrazol-5-yl)-4-(2-(pyrr...)Show SMILES Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCC1 |(5.77,3.8,;5.74,2.26,;6.97,1.33,;6.46,-.13,;4.92,-.09,;3.98,-1.31,;4.48,1.39,;3.03,1.9,;1.7,1.13,;.36,1.9,;-.97,1.13,;-2.3,1.9,;-2.31,3.44,;-3.64,1.13,;-4.97,1.89,;-6.31,1.12,;-7.64,1.89,;-7.64,3.44,;-8.97,4.21,;-6.31,4.21,;-4.98,3.44,;.36,3.44,;1.68,4.21,;3.03,3.44,;4.36,4.22,;4.35,5.76,;5.68,6.53,;7.02,5.77,;7.5,4.31,;9.04,4.32,;9.51,5.78,;8.26,6.68,)| Show InChI InChI=1S/C23H25BrClN5O2/c1-29-22(20(24)15-26-29)19-14-18(28-23(31)27-17-6-4-16(25)5-7-17)8-9-21(19)32-13-12-30-10-2-3-11-30/h4-9,14-15H,2-3,10-13H2,1H3,(H2,27,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells |
Bioorg Med Chem Lett 19: 5486-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50301503
(1-(3-(4-chloro-1-methyl-1H-pyrazol-5-yl)-4-(2-(pyr...)Show SMILES Cn1ncc(Cl)c1-c1cc(NC(=O)Nc2ccc(F)cc2F)ccc1OCCN1CCCC1 |(4.41,-24.98,;4.38,-26.52,;5.61,-27.45,;5.1,-28.91,;3.56,-28.87,;2.62,-30.1,;3.12,-27.4,;1.67,-26.88,;.34,-27.65,;-1,-26.88,;-2.33,-27.65,;-3.66,-26.88,;-3.67,-25.35,;-5,-27.66,;-6.33,-26.89,;-6.34,-25.34,;-7.67,-24.58,;-9,-25.35,;-10.33,-24.58,;-9,-26.89,;-7.67,-27.66,;-7.67,-29.2,;-1.01,-25.35,;.32,-24.57,;1.66,-25.34,;3,-24.56,;2.99,-23.03,;4.32,-22.25,;5.66,-23.02,;5.83,-24.54,;7.34,-24.85,;8.1,-23.52,;7.07,-22.38,)| Show InChI InChI=1S/C23H24ClF2N5O2/c1-30-22(18(24)14-27-30)17-13-16(5-7-21(17)33-11-10-31-8-2-3-9-31)28-23(32)29-20-6-4-15(25)12-19(20)26/h4-7,12-14H,2-3,8-11H2,1H3,(H2,28,29,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells |
Bioorg Med Chem Lett 19: 5486-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50374109
(CHEMBL255840)Show SMILES CC(C)N1C[C@@H]2CC=C([C@@H]2C1)c1ccc(CCN2CCCC2)cc1 |c:7| Show InChI InChI=1S/C22H32N2/c1-17(2)24-15-20-9-10-21(22(20)16-24)19-7-5-18(6-8-19)11-14-23-12-3-4-13-23/h5-8,10,17,20,22H,3-4,9,11-16H2,1-2H3/t20-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex |
Bioorg Med Chem Lett 18: 1490-4 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50352358
(CHEMBL558456)Show SMILES CC1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NCc1ccccc1 Show InChI InChI=1S/C26H30N2O2S/c1-21-6-5-18-28(21)19-17-22-9-11-24(12-10-22)25-13-15-26(16-14-25)31(29,30)27-20-23-7-3-2-4-8-23/h2-4,7-16,21,27H,5-6,17-20H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.295 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex membrane |
J Med Chem 52: 5603-11 (2009)
Article DOI: 10.1021/jm900857n
BindingDB Entry DOI: 10.7270/Q2KW5G2F |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50374095
(CHEMBL255752)Show SMILES C(Cc1ccc(cc1)C1=CCC2CN(Cc3ccccc3)CC12)N1CCCC1 |w:11.12,22.23,t:9| Show InChI InChI=1S/C26H32N2/c1-2-6-22(7-3-1)18-28-19-24-12-13-25(26(24)20-28)23-10-8-21(9-11-23)14-17-27-15-4-5-16-27/h1-3,6-11,13,24,26H,4-5,12,14-20H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex |
Bioorg Med Chem Lett 18: 1490-4 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50243638
(1-((3aR,6aR)-6-(4-(2-((R)-2-methylpyrrolidin-1-yl)...)Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)C1=CC[C@H]2CN(C[C@@H]12)C(=O)Cc1ccccc1 |r,t:16| Show InChI InChI=1S/C28H34N2O/c1-21-6-5-16-29(21)17-15-22-9-11-24(12-10-22)26-14-13-25-19-30(20-27(25)26)28(31)18-23-7-3-2-4-8-23/h2-4,7-12,14,21,25,27H,5-6,13,15-20H2,1H3/t21-,25+,27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex membrane |
Bioorg Med Chem Lett 18: 4133-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.086
BindingDB Entry DOI: 10.7270/Q2C82942 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50301507
(1-(3-(4-chloro-1-methyl-1H-pyrazol-5-yl)-4-(2-morp...)Show SMILES Cn1ncc(Cl)c1-c1cc(NC(=O)Nc2cc(F)cc(F)c2)ccc1OCCN1CCOCC1 |(4.32,-45.59,;4.29,-47.13,;5.52,-48.06,;5.01,-49.52,;3.47,-49.48,;2.54,-50.7,;3.03,-48,;1.58,-47.49,;.25,-48.26,;-1.08,-47.49,;-2.42,-48.26,;-3.75,-47.49,;-3.75,-45.95,;-5.08,-48.26,;-6.42,-47.49,;-7.75,-48.27,;-9.09,-47.5,;-10.42,-48.26,;-9.09,-45.95,;-7.76,-45.18,;-7.76,-43.64,;-6.42,-45.94,;-1.09,-45.95,;.24,-45.18,;1.58,-45.94,;2.91,-45.17,;2.91,-43.63,;4.24,-42.86,;5.57,-43.62,;6.33,-44.95,;7.86,-44.95,;8.63,-43.63,;7.87,-42.3,;6.33,-42.29,)| Show InChI InChI=1S/C23H24ClF2N5O3/c1-30-22(20(24)14-27-30)19-13-17(28-23(32)29-18-11-15(25)10-16(26)12-18)2-3-21(19)34-9-6-31-4-7-33-8-5-31/h2-3,10-14H,4-9H2,1H3,(H2,28,29,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells |
Bioorg Med Chem Lett 19: 5486-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50206734
(CHEMBL3959570)Show InChI InChI=1S/C17H20N2S/c1-3-13(11-15-4-2-10-20-15)16-7-6-14-12-18-8-9-19(14)17(16)5-1/h1-5,10,14,18H,6-9,11-12H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2C receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting |
Bioorg Med Chem Lett 26: 5877-5882 (2016)
Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50557505
(CHEMBL4776557) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]-DOI from recombinant human 5HT2CR transfected in human HEK293 cells incubated for 45 mins by radioligand binding assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127872
BindingDB Entry DOI: 10.7270/Q2SF30VK |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50301488
(1-(3-chlorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)...)Show SMILES Cn1nccc1-c1cc(NC(=O)Nc2cccc(Cl)c2)ccc1OCCN1CCCCC1 Show InChI InChI=1S/C24H28ClN5O2/c1-29-22(10-11-26-29)21-17-20(28-24(31)27-19-7-5-6-18(25)16-19)8-9-23(21)32-15-14-30-12-3-2-4-13-30/h5-11,16-17H,2-4,12-15H2,1H3,(H2,27,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells |
Bioorg Med Chem Lett 19: 5486-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50301496
(1-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-...)Show SMILES Cn1nccc1-c1cc(NC(=O)Nc2ccc(cc2)C(F)(F)F)ccc1OCCN1CCCCC1 Show InChI InChI=1S/C25H28F3N5O2/c1-32-22(11-12-29-32)21-17-20(9-10-23(21)35-16-15-33-13-3-2-4-14-33)31-24(34)30-19-7-5-18(6-8-19)25(26,27)28/h5-12,17H,2-4,13-16H2,1H3,(H2,30,31,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells |
Bioorg Med Chem Lett 19: 5486-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50301504
(1-(3-(4-bromo-1-methyl-1H-pyrazol-5-yl)-4-(2-(pyrr...)Show SMILES Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(F)cc2)ccc1OCCN1CCCC1 |(28.29,-24.64,;28.25,-26.18,;29.48,-27.11,;28.97,-28.57,;27.43,-28.53,;26.5,-29.76,;26.99,-27.06,;25.54,-26.54,;24.21,-27.31,;22.88,-26.54,;21.55,-27.31,;20.21,-26.54,;20.21,-25,;18.88,-27.32,;17.55,-26.55,;16.21,-27.32,;14.87,-26.55,;14.88,-25.01,;13.54,-24.24,;16.21,-24.23,;17.54,-25,;22.87,-25.01,;24.2,-24.23,;25.54,-25,;26.87,-24.22,;26.87,-22.68,;28.2,-21.91,;29.54,-22.68,;29.71,-24.2,;31.22,-24.51,;31.98,-23.18,;30.95,-22.04,)| Show InChI InChI=1S/C23H25BrFN5O2/c1-29-22(20(24)15-26-29)19-14-18(28-23(31)27-17-6-4-16(25)5-7-17)8-9-21(19)32-13-12-30-10-2-3-11-30/h4-9,14-15H,2-3,10-13H2,1H3,(H2,27,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells |
Bioorg Med Chem Lett 19: 5486-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50068972
((S)-3-(2-{3-[(Naphthalene-2-carbonyl)-amino]-2-oxo...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCCc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C33H34N4O6/c1-2-28(32(42)36-27(20-30(39)40)29(38)21-34-17-16-22-9-4-3-5-10-22)37-18-8-13-26(33(37)43)35-31(41)25-15-14-23-11-6-7-12-24(23)19-25/h3-15,18-19,27-28,34H,2,16-17,20-21H2,1H3,(H,35,41)(H,36,42)(H,39,40)/t27-,28?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IL-1 beta converting enzyme |
Bioorg Med Chem Lett 8: 959-64 (1999)
BindingDB Entry DOI: 10.7270/Q2ZP458C |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50206725
(CHEMBL3947276)Show InChI InChI=1S/C15H22N2/c1-2-4-12-5-3-6-15-14(12)8-7-13-11-16-9-10-17(13)15/h3,5-6,13,16H,2,4,7-11H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2C receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting |
Bioorg Med Chem Lett 26: 5877-5882 (2016)
Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50206719
(CHEMBL3956394)Show InChI InChI=1S/C19H21FN2/c20-18-8-9-19-16(7-6-15-13-21-10-11-22(15)19)17(18)12-14-4-2-1-3-5-14/h1-5,8-9,15,21H,6-7,10-13H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2C receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting |
Bioorg Med Chem Lett 26: 5877-5882 (2016)
Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50243123
(CHEMBL488464 | cyclopentyl((3aR,6aR)-6-(4-(2-((R)-...)Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)C1=CC[C@H]2CN(C[C@@H]12)C(=O)C1CCCC1 |r,t:16| Show InChI InChI=1S/C26H36N2O/c1-19-5-4-15-27(19)16-14-20-8-10-21(11-9-20)24-13-12-23-17-28(18-25(23)24)26(29)22-6-2-3-7-22/h8-11,13,19,22-23,25H,2-7,12,14-18H2,1H3/t19-,23+,25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex membrane |
Bioorg Med Chem Lett 18: 4133-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.086
BindingDB Entry DOI: 10.7270/Q2C82942 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50243122
(2-methyl-1-((3aR,6aR)-6-(4-(2-((R)-2-methylpyrroli...)Show SMILES CC(C)C(=O)N1C[C@@H]2CC=C([C@@H]2C1)c1ccc(CCN2CCC[C@H]2C)cc1 |r,c:9| Show InChI InChI=1S/C24H34N2O/c1-17(2)24(27)26-15-21-10-11-22(23(21)16-26)20-8-6-19(7-9-20)12-14-25-13-4-5-18(25)3/h6-9,11,17-18,21,23H,4-5,10,12-16H2,1-3H3/t18-,21+,23-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex membrane |
Bioorg Med Chem Lett 18: 4133-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.086
BindingDB Entry DOI: 10.7270/Q2C82942 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50365592
(CHEMBL1957805)Show SMILES Fc1ccc(CCN2CCN(CC2)C(=O)c2cccc3ccnn23)c(F)c1 Show InChI InChI=1S/C20H20F2N4O/c21-16-5-4-15(18(22)14-16)7-9-24-10-12-25(13-11-24)20(27)19-3-1-2-17-6-8-23-26(17)19/h1-6,8,14H,7,9-13H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-DOI from recombinant human 5HT2A receptor |
Bioorg Med Chem Lett 22: 1870-3 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.080
BindingDB Entry DOI: 10.7270/Q2XP75D0 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50374101
(CHEMBL410623)Show SMILES C(Cc1ccc(cc1)C1=CCC2CN(CC12)C1CCCC1)N1CCCC1 |w:11.12,15.15,t:9| Show InChI InChI=1S/C24H34N2/c1-2-6-22(5-1)26-17-21-11-12-23(24(21)18-26)20-9-7-19(8-10-20)13-16-25-14-3-4-15-25/h7-10,12,21-22,24H,1-6,11,13-18H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex |
Bioorg Med Chem Lett 18: 1490-4 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50374098
(CHEMBL256225)Show SMILES C(Cc1ccc(cc1)C1=CCC2CN(Cc3ccccc3)CC12)N1CCCCC1 |w:11.11,22.23,t:9| Show InChI InChI=1S/C27H34N2/c1-3-7-23(8-4-1)19-29-20-25-13-14-26(27(25)21-29)24-11-9-22(10-12-24)15-18-28-16-5-2-6-17-28/h1,3-4,7-12,14,25,27H,2,5-6,13,15-21H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex |
Bioorg Med Chem Lett 18: 1490-4 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50301514
(1-(4-chlorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)...)Show SMILES Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCCC1 Show InChI InChI=1S/C24H28ClN5O2/c1-29-22(11-12-26-29)21-17-20(28-24(31)27-19-7-5-18(25)6-8-19)9-10-23(21)32-16-15-30-13-3-2-4-14-30/h5-12,17H,2-4,13-16H2,1H3,(H2,27,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells |
Bioorg Med Chem Lett 19: 5486-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50301480
(1-(4-chlorophenyl)-3-(4-(2-(4-hydroxypiperidin-1-y...)Show SMILES Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCC(O)CC1 Show InChI InChI=1S/C24H28ClN5O3/c1-29-22(8-11-26-29)21-16-19(28-24(32)27-18-4-2-17(25)3-5-18)6-7-23(21)33-15-14-30-12-9-20(31)10-13-30/h2-8,11,16,20,31H,9-10,12-15H2,1H3,(H2,27,28,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells |
Bioorg Med Chem Lett 19: 5486-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50301518
(1-(4-chlorophenyl)-3-(4-(2-(diethylamino)ethoxy)-3...)Show SMILES CCN(CC)CCOc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1ccnn1C Show InChI InChI=1S/C23H28ClN5O2/c1-4-29(5-2)14-15-31-22-11-10-19(16-20(22)21-12-13-25-28(21)3)27-23(30)26-18-8-6-17(24)7-9-18/h6-13,16H,4-5,14-15H2,1-3H3,(H2,26,27,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells |
Bioorg Med Chem Lett 19: 5486-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50301513
(1-(3-(4-chloro-1-methyl-1H-pyrazol-5-yl)-4-(2-(pip...)Show SMILES Cn1ncc(Cl)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCCC1 |(4.23,-16.28,;4.2,-17.82,;5.43,-18.75,;4.92,-20.21,;3.38,-20.17,;2.44,-21.39,;2.94,-18.69,;1.49,-18.18,;.16,-18.95,;-1.18,-18.18,;-2.51,-18.95,;-3.84,-18.18,;-3.85,-16.64,;-5.18,-18.95,;-6.51,-18.19,;-7.85,-18.96,;-9.18,-18.19,;-9.18,-16.64,;-10.51,-15.87,;-7.85,-15.87,;-6.52,-16.64,;-1.18,-16.64,;.14,-15.87,;1.49,-16.64,;2.82,-15.86,;2.81,-14.32,;4.14,-13.55,;5.48,-14.31,;5.48,-15.85,;6.81,-16.62,;8.14,-15.85,;8.14,-14.31,;6.8,-13.53,)| Show InChI InChI=1S/C24H27Cl2N5O2/c1-30-23(21(26)16-27-30)20-15-19(29-24(32)28-18-7-5-17(25)6-8-18)9-10-22(20)33-14-13-31-11-3-2-4-12-31/h5-10,15-16H,2-4,11-14H2,1H3,(H2,28,29,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells |
Bioorg Med Chem Lett 19: 5486-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50324540
(CHEMBL1215661 | Pruvanserin)Show SMILES Fc1ccc(CCN2CCN(CC2)C(=O)c2cccc3c(c[nH]c23)C#N)cc1 Show InChI InChI=1S/C22H21FN4O/c23-18-6-4-16(5-7-18)8-9-26-10-12-27(13-11-26)22(28)20-3-1-2-19-17(14-24)15-25-21(19)20/h1-7,15,25H,8-13H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals.
Curated by ChEMBL
| Assay Description
Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting |
J Med Chem 53: 5696-706 (2010)
Article DOI: 10.1021/jm100479q
BindingDB Entry DOI: 10.7270/Q2CV4HZX |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50414743
(CHEMBL564803)Show SMILES CC1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1Cc2ccccc2C1 Show InChI InChI=1S/C27H30N2O2S/c1-21-5-4-17-28(21)18-16-22-8-10-23(11-9-22)24-12-14-27(15-13-24)32(30,31)29-19-25-6-2-3-7-26(25)20-29/h2-3,6-15,21H,4-5,16-20H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex membrane |
J Med Chem 52: 5603-11 (2009)
Article DOI: 10.1021/jm900857n
BindingDB Entry DOI: 10.7270/Q2KW5G2F |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50459713
(CHEMBL4213447 | US10836764, Compound 176)Show InChI InChI=1S/C16H23N3/c1-2-12(3-1)10-13-6-7-18-16-15(13)5-4-14-11-17-8-9-19(14)16/h6-7,12,14,17H,1-5,8-11H2/t14-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]-DOI from recombinant human 5HT2CR transfected in human HEK293 cells incubated for 45 mins by radioligand binding assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127872
BindingDB Entry DOI: 10.7270/Q2SF30VK |
More data for this
Ligand-Target Pair | |
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