Found 66 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50416668
(CHEMBL1222552)Show InChI InChI=1S/C16H18N4/c1-2-4-14-12-20-10-7-18-16(20)15(11-13(14)3-1)19-8-5-17-6-9-19/h1-4,7,10-11,17H,5-6,8-9,12H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in CHO cells by FLPR assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Homo sapiens (Human)) | BDBM50416668
(CHEMBL1222552)Show InChI InChI=1S/C16H18N4/c1-2-4-14-12-20-10-7-18-16(20)15(11-13(14)3-1)19-8-5-17-6-9-19/h1-4,7,10-11,17H,5-6,8-9,12H2 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human adrenergic Alpha-1B receptor assessed as intracellular calcium luminescence by cell based aequorin assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50416668
(CHEMBL1222552)Show InChI InChI=1S/C16H18N4/c1-2-4-14-12-20-10-7-18-16(20)15(11-13(14)3-1)19-8-5-17-6-9-19/h1-4,7,10-11,17H,5-6,8-9,12H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human adrenergic alpha1A receptor assessed as intracellular calcium luminescence by cell based aequorin assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50416668
(CHEMBL1222552)Show InChI InChI=1S/C16H18N4/c1-2-4-14-12-20-10-7-18-16(20)15(11-13(14)3-1)19-8-5-17-6-9-19/h1-4,7,10-11,17H,5-6,8-9,12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.94 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2A receptor expressed in HEK cells assessed as intracellular calcium luminescence by aequorin assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50416674
(CHEMBL1222626)Show SMILES OC(=O)C1CC(C1)N1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12 |t:15,(5.93,-34.54,;4.41,-34.32,;3.85,-32.88,;3.45,-35.52,;3.63,-37.05,;2.1,-37.22,;1.92,-35.69,;1.14,-38.42,;1.7,-39.85,;.75,-41.05,;-.77,-40.83,;-1.34,-39.4,;-.38,-38.2,;-1.72,-42.04,;-3.23,-41.71,;-4.44,-42.68,;-5.78,-41.92,;-7.1,-42.69,;-7.1,-44.23,;-5.77,-45,;-4.44,-44.22,;-3.22,-45.18,;-1.71,-44.83,;-.58,-45.89,;.78,-45.14,;.49,-43.62,;-1.05,-43.43,)| Show InChI InChI=1S/C21H24N4O2/c26-21(27)17-11-18(12-17)23-7-9-24(10-8-23)19-13-15-3-1-2-4-16(15)14-25-6-5-22-20(19)25/h1-6,13,17-18H,7-12,14H2,(H,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in CHO cells by FLPR assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50416674
(CHEMBL1222626)Show SMILES OC(=O)C1CC(C1)N1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12 |t:15,(5.93,-34.54,;4.41,-34.32,;3.85,-32.88,;3.45,-35.52,;3.63,-37.05,;2.1,-37.22,;1.92,-35.69,;1.14,-38.42,;1.7,-39.85,;.75,-41.05,;-.77,-40.83,;-1.34,-39.4,;-.38,-38.2,;-1.72,-42.04,;-3.23,-41.71,;-4.44,-42.68,;-5.78,-41.92,;-7.1,-42.69,;-7.1,-44.23,;-5.77,-45,;-4.44,-44.22,;-3.22,-45.18,;-1.71,-44.83,;-.58,-45.89,;.78,-45.14,;.49,-43.62,;-1.05,-43.43,)| Show InChI InChI=1S/C21H24N4O2/c26-21(27)17-11-18(12-17)23-7-9-24(10-8-23)19-13-15-3-1-2-4-16(15)14-25-6-5-22-20(19)25/h1-6,13,17-18H,7-12,14H2,(H,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in CHO cells by FLPR assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50416676
(CHEMBL1222693)Show SMILES Cc1nc2C(=Cc3ccccc3Cn2c1C)N1CCN(CC(C)(C)C(O)=O)CC1 |c:4| Show InChI InChI=1S/C23H30N4O2/c1-16-17(2)27-14-19-8-6-5-7-18(19)13-20(21(27)24-16)26-11-9-25(10-12-26)15-23(3,4)22(28)29/h5-8,13H,9-12,14-15H2,1-4H3,(H,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2B receptor expressed in human SHSY5Y cells by FLPR assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50416668
(CHEMBL1222552)Show InChI InChI=1S/C16H18N4/c1-2-4-14-12-20-10-7-18-16(20)15(11-13(14)3-1)19-8-5-17-6-9-19/h1-4,7,10-11,17H,5-6,8-9,12H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 19.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2C receptor expressed in human SHSY5Y cells by FLPR assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50416672
(CHEMBL1222624)Show SMILES CC1CN(CC(C)N1CCC(O)=O)C1=Cc2ccccc2Cn2ccnc12 |t:14| Show InChI InChI=1S/C21H26N4O2/c1-15-12-24(13-16(2)25(15)9-7-20(26)27)19-11-17-5-3-4-6-18(17)14-23-10-8-22-21(19)23/h3-6,8,10-11,15-16H,7,9,12-14H2,1-2H3,(H,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 19.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in CHO cells by FLPR assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50416679
(CHEMBL1222762)Show SMILES CC(C)(CN1CCN(CC1)C1=Cc2ccccc2Cn2c(Cl)cnc12)C(O)=O |t:11| Show InChI InChI=1S/C21H25ClN4O2/c1-21(2,20(27)28)14-24-7-9-25(10-8-24)17-11-15-5-3-4-6-16(15)13-26-18(22)12-23-19(17)26/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 25.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2B receptor expressed in human SHSY5Y cells by FLPR assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50416670
(CHEMBL1222554)Show SMILES CC(C)(CN1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12)C(O)=O |t:11| Show InChI InChI=1S/C21H26N4O2/c1-21(2,20(26)27)15-23-9-11-24(12-10-23)18-13-16-5-3-4-6-17(16)14-25-8-7-22-19(18)25/h3-8,13H,9-12,14-15H2,1-2H3,(H,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 25.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in CHO cells by FLPR assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50416677
(CHEMBL1222694)Show SMILES Cc1cn2Cc3ccccc3C=C(N3CCN(CC(C)(C)C(O)=O)CC3)c2n1 |t:12| Show InChI InChI=1S/C22H28N4O2/c1-16-13-26-14-18-7-5-4-6-17(18)12-19(20(26)23-16)25-10-8-24(9-11-25)15-22(2,3)21(27)28/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 31.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2C receptor expressed in human SHSY5Y cells by FLPR assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50416673
(CHEMBL1222625)Show SMILES OC(=O)C(=C)CN1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12 |t:13| Show InChI InChI=1S/C20H22N4O2/c1-15(20(25)26)13-22-8-10-23(11-9-22)18-12-16-4-2-3-5-17(16)14-24-7-6-21-19(18)24/h2-7,12H,1,8-11,13-14H2,(H,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 31.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in CHO cells by FLPR assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50416675
(CHEMBL1222692)Show SMILES OC(=O)C1CCC(CC1)N1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12 |t:17,(4.66,4.39,;3.14,4.62,;2.58,6.05,;2.18,3.42,;2.74,1.98,;1.78,.79,;.25,1.02,;-.31,2.45,;.66,3.65,;-.71,-.18,;-.15,-1.61,;-1.1,-2.81,;-2.62,-2.58,;-3.19,-1.16,;-2.23,.05,;-3.57,-3.79,;-5.08,-3.46,;-6.29,-4.44,;-7.62,-3.67,;-8.95,-4.44,;-8.95,-5.98,;-7.62,-6.75,;-6.29,-5.98,;-5.07,-6.94,;-3.56,-6.59,;-2.42,-7.65,;-1.07,-6.89,;-1.36,-5.38,;-2.9,-5.18,)| Show InChI InChI=1S/C23H28N4O2/c28-23(29)17-5-7-20(8-6-17)25-11-13-26(14-12-25)21-15-18-3-1-2-4-19(18)16-27-10-9-24-22(21)27/h1-4,9-10,15,17,20H,5-8,11-14,16H2,(H,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 39.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2B receptor expressed in human SHSY5Y cells by FLPR assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50416676
(CHEMBL1222693)Show SMILES Cc1nc2C(=Cc3ccccc3Cn2c1C)N1CCN(CC(C)(C)C(O)=O)CC1 |c:4| Show InChI InChI=1S/C23H30N4O2/c1-16-17(2)27-14-19-8-6-5-7-18(19)13-20(21(27)24-16)26-11-9-25(10-12-26)15-23(3,4)22(28)29/h5-8,13H,9-12,14-15H2,1-4H3,(H,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 39.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in CHO cells by FLPR assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50416672
(CHEMBL1222624)Show SMILES CC1CN(CC(C)N1CCC(O)=O)C1=Cc2ccccc2Cn2ccnc12 |t:14| Show InChI InChI=1S/C21H26N4O2/c1-15-12-24(13-16(2)25(15)9-7-20(26)27)19-11-17-5-3-4-6-18(17)14-23-10-8-22-21(19)23/h3-6,8,10-11,15-16H,7,9,12-14H2,1-2H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 39.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2A receptor expressed in HEK cells assessed as intracellular calcium luminescence by aequorin assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50416679
(CHEMBL1222762)Show SMILES CC(C)(CN1CCN(CC1)C1=Cc2ccccc2Cn2c(Cl)cnc12)C(O)=O |t:11| Show InChI InChI=1S/C21H25ClN4O2/c1-21(2,20(27)28)14-24-7-9-25(10-8-24)17-11-15-5-3-4-6-16(15)13-26-18(22)12-23-19(17)26/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 39.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in CHO cells by FLPR assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50416680
(CHEMBL1222763)Show SMILES CC(C)(CN1CCN(CC1)C1=Cc2ccccc2Cn2cc(F)nc12)C(O)=O |t:11| Show InChI InChI=1S/C21H25FN4O2/c1-21(2,20(27)28)14-24-7-9-25(10-8-24)17-11-15-5-3-4-6-16(15)12-26-13-18(22)23-19(17)26/h3-6,11,13H,7-10,12,14H2,1-2H3,(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 39.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in CHO cells by FLPR assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50416675
(CHEMBL1222692)Show SMILES OC(=O)C1CCC(CC1)N1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12 |t:17,(4.66,4.39,;3.14,4.62,;2.58,6.05,;2.18,3.42,;2.74,1.98,;1.78,.79,;.25,1.02,;-.31,2.45,;.66,3.65,;-.71,-.18,;-.15,-1.61,;-1.1,-2.81,;-2.62,-2.58,;-3.19,-1.16,;-2.23,.05,;-3.57,-3.79,;-5.08,-3.46,;-6.29,-4.44,;-7.62,-3.67,;-8.95,-4.44,;-8.95,-5.98,;-7.62,-6.75,;-6.29,-5.98,;-5.07,-6.94,;-3.56,-6.59,;-2.42,-7.65,;-1.07,-6.89,;-1.36,-5.38,;-2.9,-5.18,)| Show InChI InChI=1S/C23H28N4O2/c28-23(29)17-5-7-20(8-6-17)25-11-13-26(14-12-25)21-15-18-3-1-2-4-19(18)16-27-10-9-24-22(21)27/h1-4,9-10,15,17,20H,5-8,11-14,16H2,(H,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 39.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2B receptor expressed in human SHSY5Y cells by FLPR assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50416677
(CHEMBL1222694)Show SMILES Cc1cn2Cc3ccccc3C=C(N3CCN(CC(C)(C)C(O)=O)CC3)c2n1 |t:12| Show InChI InChI=1S/C22H28N4O2/c1-16-13-26-14-18-7-5-4-6-17(18)12-19(20(26)23-16)25-10-8-24(9-11-25)15-22(2,3)21(27)28/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 50.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in CHO cells by FLPR assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50416678
(CHEMBL1222695)Show SMILES CC(C)(CN1CCN(CC1)C1=Cc2ccccc2Cn2cc(Cl)nc12)C(O)=O |t:11| Show InChI InChI=1S/C21H25ClN4O2/c1-21(2,20(27)28)14-24-7-9-25(10-8-24)17-11-15-5-3-4-6-16(15)12-26-13-18(22)23-19(17)26/h3-6,11,13H,7-10,12,14H2,1-2H3,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 50.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2A receptor expressed in HEK cells assessed as intracellular calcium luminescence by aequorin assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50416671
(CHEMBL1222623)Show SMILES CC(C)(CN1CCCN(CC1)C1=Cc2ccccc2Cn2ccnc12)C(O)=O |t:12| Show InChI InChI=1S/C22H28N4O2/c1-22(2,21(27)28)16-24-9-5-10-25(13-12-24)19-14-17-6-3-4-7-18(17)15-26-11-8-23-20(19)26/h3-4,6-8,11,14H,5,9-10,12-13,15-16H2,1-2H3,(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 50.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in CHO cells by FLPR assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50416670
(CHEMBL1222554)Show SMILES CC(C)(CN1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12)C(O)=O |t:11| Show InChI InChI=1S/C21H26N4O2/c1-21(2,20(26)27)15-23-9-11-24(12-10-23)18-13-16-5-3-4-6-17(16)14-25-8-7-22-19(18)25/h3-8,13H,9-12,14-15H2,1-2H3,(H,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 50.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2C receptor expressed in human SHSY5Y cells by FLPR assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50416669
(CHEMBL1222553)Show SMILES OC(=O)CCN1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12 |t:12| Show InChI InChI=1S/C19H22N4O2/c24-18(25)5-7-21-9-11-22(12-10-21)17-13-15-3-1-2-4-16(15)14-23-8-6-20-19(17)23/h1-4,6,8,13H,5,7,9-12,14H2,(H,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 50.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in CHO cells by FLPR assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50416677
(CHEMBL1222694)Show SMILES Cc1cn2Cc3ccccc3C=C(N3CCN(CC(C)(C)C(O)=O)CC3)c2n1 |t:12| Show InChI InChI=1S/C22H28N4O2/c1-16-13-26-14-18-7-5-4-6-17(18)12-19(20(26)23-16)25-10-8-24(9-11-25)15-22(2,3)21(27)28/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 63.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2B receptor expressed in human SHSY5Y cells by FLPR assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50416676
(CHEMBL1222693)Show SMILES Cc1nc2C(=Cc3ccccc3Cn2c1C)N1CCN(CC(C)(C)C(O)=O)CC1 |c:4| Show InChI InChI=1S/C23H30N4O2/c1-16-17(2)27-14-19-8-6-5-7-18(19)13-20(21(27)24-16)26-11-9-25(10-12-26)15-23(3,4)22(28)29/h5-8,13H,9-12,14-15H2,1-4H3,(H,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 63.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2C receptor expressed in human SHSY5Y cells by FLPR assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50416679
(CHEMBL1222762)Show SMILES CC(C)(CN1CCN(CC1)C1=Cc2ccccc2Cn2c(Cl)cnc12)C(O)=O |t:11| Show InChI InChI=1S/C21H25ClN4O2/c1-21(2,20(27)28)14-24-7-9-25(10-8-24)17-11-15-5-3-4-6-16(15)13-26-18(22)12-23-19(17)26/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 63.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2A receptor expressed in HEK cells assessed as intracellular calcium luminescence by aequorin assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50416678
(CHEMBL1222695)Show SMILES CC(C)(CN1CCN(CC1)C1=Cc2ccccc2Cn2cc(Cl)nc12)C(O)=O |t:11| Show InChI InChI=1S/C21H25ClN4O2/c1-21(2,20(27)28)14-24-7-9-25(10-8-24)17-11-15-5-3-4-6-16(15)12-26-13-18(22)23-19(17)26/h3-6,11,13H,7-10,12,14H2,1-2H3,(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 79.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in CHO cells by FLPR assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50416670
(CHEMBL1222554)Show SMILES CC(C)(CN1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12)C(O)=O |t:11| Show InChI InChI=1S/C21H26N4O2/c1-21(2,20(26)27)15-23-9-11-24(12-10-23)18-13-16-5-3-4-6-17(16)14-25-8-7-22-19(18)25/h3-8,13H,9-12,14-15H2,1-2H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 79.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2A receptor expressed in HEK cells assessed as intracellular calcium luminescence by aequorin assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50416680
(CHEMBL1222763)Show SMILES CC(C)(CN1CCN(CC1)C1=Cc2ccccc2Cn2cc(F)nc12)C(O)=O |t:11| Show InChI InChI=1S/C21H25FN4O2/c1-21(2,20(27)28)14-24-7-9-25(10-8-24)17-11-15-5-3-4-6-16(15)12-26-13-18(22)23-19(17)26/h3-6,11,13H,7-10,12,14H2,1-2H3,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2A receptor expressed in HEK cells assessed as intracellular calcium luminescence by aequorin assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50416678
(CHEMBL1222695)Show SMILES CC(C)(CN1CCN(CC1)C1=Cc2ccccc2Cn2cc(Cl)nc12)C(O)=O |t:11| Show InChI InChI=1S/C21H25ClN4O2/c1-21(2,20(27)28)14-24-7-9-25(10-8-24)17-11-15-5-3-4-6-16(15)12-26-13-18(22)23-19(17)26/h3-6,11,13H,7-10,12,14H2,1-2H3,(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2B receptor expressed in human SHSY5Y cells by FLPR assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50416675
(CHEMBL1222692)Show SMILES OC(=O)C1CCC(CC1)N1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12 |t:17,(4.66,4.39,;3.14,4.62,;2.58,6.05,;2.18,3.42,;2.74,1.98,;1.78,.79,;.25,1.02,;-.31,2.45,;.66,3.65,;-.71,-.18,;-.15,-1.61,;-1.1,-2.81,;-2.62,-2.58,;-3.19,-1.16,;-2.23,.05,;-3.57,-3.79,;-5.08,-3.46,;-6.29,-4.44,;-7.62,-3.67,;-8.95,-4.44,;-8.95,-5.98,;-7.62,-6.75,;-6.29,-5.98,;-5.07,-6.94,;-3.56,-6.59,;-2.42,-7.65,;-1.07,-6.89,;-1.36,-5.38,;-2.9,-5.18,)| Show InChI InChI=1S/C23H28N4O2/c28-23(29)17-5-7-20(8-6-17)25-11-13-26(14-12-25)21-15-18-3-1-2-4-19(18)16-27-10-9-24-22(21)27/h1-4,9-10,15,17,20H,5-8,11-14,16H2,(H,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 125 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in CHO cells by FLPR assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50416679
(CHEMBL1222762)Show SMILES CC(C)(CN1CCN(CC1)C1=Cc2ccccc2Cn2c(Cl)cnc12)C(O)=O |t:11| Show InChI InChI=1S/C21H25ClN4O2/c1-21(2,20(27)28)14-24-7-9-25(10-8-24)17-11-15-5-3-4-6-16(15)13-26-18(22)12-23-19(17)26/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2C receptor expressed in human SHSY5Y cells by FLPR assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50416675
(CHEMBL1222692)Show SMILES OC(=O)C1CCC(CC1)N1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12 |t:17,(4.66,4.39,;3.14,4.62,;2.58,6.05,;2.18,3.42,;2.74,1.98,;1.78,.79,;.25,1.02,;-.31,2.45,;.66,3.65,;-.71,-.18,;-.15,-1.61,;-1.1,-2.81,;-2.62,-2.58,;-3.19,-1.16,;-2.23,.05,;-3.57,-3.79,;-5.08,-3.46,;-6.29,-4.44,;-7.62,-3.67,;-8.95,-4.44,;-8.95,-5.98,;-7.62,-6.75,;-6.29,-5.98,;-5.07,-6.94,;-3.56,-6.59,;-2.42,-7.65,;-1.07,-6.89,;-1.36,-5.38,;-2.9,-5.18,)| Show InChI InChI=1S/C23H28N4O2/c28-23(29)17-5-7-20(8-6-17)25-11-13-26(14-12-25)21-15-18-3-1-2-4-19(18)16-27-10-9-24-22(21)27/h1-4,9-10,15,17,20H,5-8,11-14,16H2,(H,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in CHO cells by FLPR assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50416681
(CHEMBL1222764)Show SMILES COc1cnc2C(=Cc3ccccc3Cn12)N1CCN(CC(C)(C)C(O)=O)CC1 |c:6| Show InChI InChI=1S/C22H28N4O3/c1-22(2,21(27)28)15-24-8-10-25(11-9-24)18-12-16-6-4-5-7-17(16)14-26-19(29-3)13-23-20(18)26/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in CHO cells by FLPR assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50416677
(CHEMBL1222694)Show SMILES Cc1cn2Cc3ccccc3C=C(N3CCN(CC(C)(C)C(O)=O)CC3)c2n1 |t:12| Show InChI InChI=1S/C22H28N4O2/c1-16-13-26-14-18-7-5-4-6-17(18)12-19(20(26)23-16)25-10-8-24(9-11-25)15-22(2,3)21(27)28/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2A receptor expressed in HEK cells assessed as intracellular calcium luminescence by aequorin assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50416672
(CHEMBL1222624)Show SMILES CC1CN(CC(C)N1CCC(O)=O)C1=Cc2ccccc2Cn2ccnc12 |t:14| Show InChI InChI=1S/C21H26N4O2/c1-15-12-24(13-16(2)25(15)9-7-20(26)27)19-11-17-5-3-4-6-18(17)14-23-10-8-22-21(19)23/h3-6,8,10-11,15-16H,7,9,12-14H2,1-2H3,(H,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2C receptor expressed in human SHSY5Y cells by FLPR assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50416681
(CHEMBL1222764)Show SMILES COc1cnc2C(=Cc3ccccc3Cn12)N1CCN(CC(C)(C)C(O)=O)CC1 |c:6| Show InChI InChI=1S/C22H28N4O3/c1-22(2,21(27)28)15-24-8-10-25(11-9-24)18-12-16-6-4-5-7-17(16)14-26-19(29-3)13-23-20(18)26/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2B receptor expressed in human SHSY5Y cells by FLPR assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50416673
(CHEMBL1222625)Show SMILES OC(=O)C(=C)CN1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12 |t:13| Show InChI InChI=1S/C20H22N4O2/c1-15(20(25)26)13-22-8-10-23(11-9-22)18-12-16-4-2-3-5-17(16)14-24-7-6-21-19(18)24/h2-7,12H,1,8-11,13-14H2,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2A receptor expressed in HEK cells assessed as intracellular calcium luminescence by aequorin assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50416681
(CHEMBL1222764)Show SMILES COc1cnc2C(=Cc3ccccc3Cn12)N1CCN(CC(C)(C)C(O)=O)CC1 |c:6| Show InChI InChI=1S/C22H28N4O3/c1-22(2,21(27)28)15-24-8-10-25(11-9-24)18-12-16-6-4-5-7-17(16)14-26-19(29-3)13-23-20(18)26/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2A receptor expressed in HEK cells assessed as intracellular calcium luminescence by aequorin assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50416668
(CHEMBL1222552)Show InChI InChI=1S/C16H18N4/c1-2-4-14-12-20-10-7-18-16(20)15(11-13(14)3-1)19-8-5-17-6-9-19/h1-4,7,10-11,17H,5-6,8-9,12H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2B receptor expressed in human SHSY5Y cells by FLPR assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50416680
(CHEMBL1222763)Show SMILES CC(C)(CN1CCN(CC1)C1=Cc2ccccc2Cn2cc(F)nc12)C(O)=O |t:11| Show InChI InChI=1S/C21H25FN4O2/c1-21(2,20(27)28)14-24-7-9-25(10-8-24)17-11-15-5-3-4-6-16(15)12-26-13-18(22)23-19(17)26/h3-6,11,13H,7-10,12,14H2,1-2H3,(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2C receptor expressed in human SHSY5Y cells by FLPR assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50416680
(CHEMBL1222763)Show SMILES CC(C)(CN1CCN(CC1)C1=Cc2ccccc2Cn2cc(F)nc12)C(O)=O |t:11| Show InChI InChI=1S/C21H25FN4O2/c1-21(2,20(27)28)14-24-7-9-25(10-8-24)17-11-15-5-3-4-6-16(15)12-26-13-18(22)23-19(17)26/h3-6,11,13H,7-10,12,14H2,1-2H3,(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2B receptor expressed in human SHSY5Y cells by FLPR assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50416669
(CHEMBL1222553)Show SMILES OC(=O)CCN1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12 |t:12| Show InChI InChI=1S/C19H22N4O2/c24-18(25)5-7-21-9-11-22(12-10-21)17-13-15-3-1-2-4-16(15)14-23-8-6-20-19(17)23/h1-4,6,8,13H,5,7,9-12,14H2,(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2A receptor expressed in HEK cells assessed as intracellular calcium luminescence by aequorin assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50416676
(CHEMBL1222693)Show SMILES Cc1nc2C(=Cc3ccccc3Cn2c1C)N1CCN(CC(C)(C)C(O)=O)CC1 |c:4| Show InChI InChI=1S/C23H30N4O2/c1-16-17(2)27-14-19-8-6-5-7-18(19)13-20(21(27)24-16)26-11-9-25(10-12-26)15-23(3,4)22(28)29/h5-8,13H,9-12,14-15H2,1-4H3,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2A receptor expressed in HEK cells assessed as intracellular calcium luminescence by aequorin assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50416678
(CHEMBL1222695)Show SMILES CC(C)(CN1CCN(CC1)C1=Cc2ccccc2Cn2cc(Cl)nc12)C(O)=O |t:11| Show InChI InChI=1S/C21H25ClN4O2/c1-21(2,20(27)28)14-24-7-9-25(10-8-24)17-11-15-5-3-4-6-16(15)12-26-13-18(22)23-19(17)26/h3-6,11,13H,7-10,12,14H2,1-2H3,(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2C receptor expressed in human SHSY5Y cells by FLPR assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50416681
(CHEMBL1222764)Show SMILES COc1cnc2C(=Cc3ccccc3Cn12)N1CCN(CC(C)(C)C(O)=O)CC1 |c:6| Show InChI InChI=1S/C22H28N4O3/c1-22(2,21(27)28)15-24-8-10-25(11-9-24)18-12-16-6-4-5-7-17(16)14-26-19(29-3)13-23-20(18)26/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2C receptor expressed in human SHSY5Y cells by FLPR assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50416673
(CHEMBL1222625)Show SMILES OC(=O)C(=C)CN1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12 |t:13| Show InChI InChI=1S/C20H22N4O2/c1-15(20(25)26)13-22-8-10-23(11-9-22)18-12-16-4-2-3-5-17(16)14-24-7-6-21-19(18)24/h2-7,12H,1,8-11,13-14H2,(H,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2C receptor expressed in human SHSY5Y cells by FLPR assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50416675
(CHEMBL1222692)Show SMILES OC(=O)C1CCC(CC1)N1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12 |t:17,(4.66,4.39,;3.14,4.62,;2.58,6.05,;2.18,3.42,;2.74,1.98,;1.78,.79,;.25,1.02,;-.31,2.45,;.66,3.65,;-.71,-.18,;-.15,-1.61,;-1.1,-2.81,;-2.62,-2.58,;-3.19,-1.16,;-2.23,.05,;-3.57,-3.79,;-5.08,-3.46,;-6.29,-4.44,;-7.62,-3.67,;-8.95,-4.44,;-8.95,-5.98,;-7.62,-6.75,;-6.29,-5.98,;-5.07,-6.94,;-3.56,-6.59,;-2.42,-7.65,;-1.07,-6.89,;-1.36,-5.38,;-2.9,-5.18,)| Show InChI InChI=1S/C23H28N4O2/c28-23(29)17-5-7-20(8-6-17)25-11-13-26(14-12-25)21-15-18-3-1-2-4-19(18)16-27-10-9-24-22(21)27/h1-4,9-10,15,17,20H,5-8,11-14,16H2,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2A receptor expressed in HEK cells assessed as intracellular calcium luminescence by aequorin assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50416675
(CHEMBL1222692)Show SMILES OC(=O)C1CCC(CC1)N1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12 |t:17,(4.66,4.39,;3.14,4.62,;2.58,6.05,;2.18,3.42,;2.74,1.98,;1.78,.79,;.25,1.02,;-.31,2.45,;.66,3.65,;-.71,-.18,;-.15,-1.61,;-1.1,-2.81,;-2.62,-2.58,;-3.19,-1.16,;-2.23,.05,;-3.57,-3.79,;-5.08,-3.46,;-6.29,-4.44,;-7.62,-3.67,;-8.95,-4.44,;-8.95,-5.98,;-7.62,-6.75,;-6.29,-5.98,;-5.07,-6.94,;-3.56,-6.59,;-2.42,-7.65,;-1.07,-6.89,;-1.36,-5.38,;-2.9,-5.18,)| Show InChI InChI=1S/C23H28N4O2/c28-23(29)17-5-7-20(8-6-17)25-11-13-26(14-12-25)21-15-18-3-1-2-4-19(18)16-27-10-9-24-22(21)27/h1-4,9-10,15,17,20H,5-8,11-14,16H2,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2A receptor expressed in HEK cells assessed as intracellular calcium luminescence by aequorin assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50416672
(CHEMBL1222624)Show SMILES CC1CN(CC(C)N1CCC(O)=O)C1=Cc2ccccc2Cn2ccnc12 |t:14| Show InChI InChI=1S/C21H26N4O2/c1-15-12-24(13-16(2)25(15)9-7-20(26)27)19-11-17-5-3-4-6-18(17)14-23-10-8-22-21(19)23/h3-6,8,10-11,15-16H,7,9,12-14H2,1-2H3,(H,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2B receptor expressed in human SHSY5Y cells by FLPR assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50416674
(CHEMBL1222626)Show SMILES OC(=O)C1CC(C1)N1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12 |t:15,(5.93,-34.54,;4.41,-34.32,;3.85,-32.88,;3.45,-35.52,;3.63,-37.05,;2.1,-37.22,;1.92,-35.69,;1.14,-38.42,;1.7,-39.85,;.75,-41.05,;-.77,-40.83,;-1.34,-39.4,;-.38,-38.2,;-1.72,-42.04,;-3.23,-41.71,;-4.44,-42.68,;-5.78,-41.92,;-7.1,-42.69,;-7.1,-44.23,;-5.77,-45,;-4.44,-44.22,;-3.22,-45.18,;-1.71,-44.83,;-.58,-45.89,;.78,-45.14,;.49,-43.62,;-1.05,-43.43,)| Show InChI InChI=1S/C21H24N4O2/c26-21(27)17-11-18(12-17)23-7-9-24(10-8-23)19-13-15-3-1-2-4-16(15)14-25-6-5-22-20(19)25/h1-6,13,17-18H,7-12,14H2,(H,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2C receptor expressed in human SHSY5Y cells by FLPR assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50416673
(CHEMBL1222625)Show SMILES OC(=O)C(=C)CN1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12 |t:13| Show InChI InChI=1S/C20H22N4O2/c1-15(20(25)26)13-22-8-10-23(11-9-22)18-12-16-4-2-3-5-17(16)14-24-7-6-21-19(18)24/h2-7,12H,1,8-11,13-14H2,(H,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2B receptor expressed in human SHSY5Y cells by FLPR assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50416674
(CHEMBL1222626)Show SMILES OC(=O)C1CC(C1)N1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12 |t:15,(5.93,-34.54,;4.41,-34.32,;3.85,-32.88,;3.45,-35.52,;3.63,-37.05,;2.1,-37.22,;1.92,-35.69,;1.14,-38.42,;1.7,-39.85,;.75,-41.05,;-.77,-40.83,;-1.34,-39.4,;-.38,-38.2,;-1.72,-42.04,;-3.23,-41.71,;-4.44,-42.68,;-5.78,-41.92,;-7.1,-42.69,;-7.1,-44.23,;-5.77,-45,;-4.44,-44.22,;-3.22,-45.18,;-1.71,-44.83,;-.58,-45.89,;.78,-45.14,;.49,-43.62,;-1.05,-43.43,)| Show InChI InChI=1S/C21H24N4O2/c26-21(27)17-11-18(12-17)23-7-9-24(10-8-23)19-13-15-3-1-2-4-16(15)14-25-6-5-22-20(19)25/h1-6,13,17-18H,7-12,14H2,(H,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2B receptor expressed in human SHSY5Y cells by FLPR assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50416669
(CHEMBL1222553)Show SMILES OC(=O)CCN1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12 |t:12| Show InChI InChI=1S/C19H22N4O2/c24-18(25)5-7-21-9-11-22(12-10-21)17-13-15-3-1-2-4-16(15)14-23-8-6-20-19(17)23/h1-4,6,8,13H,5,7,9-12,14H2,(H,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2B receptor expressed in human SHSY5Y cells by FLPR assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50416674
(CHEMBL1222626)Show SMILES OC(=O)C1CC(C1)N1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12 |t:15,(5.93,-34.54,;4.41,-34.32,;3.85,-32.88,;3.45,-35.52,;3.63,-37.05,;2.1,-37.22,;1.92,-35.69,;1.14,-38.42,;1.7,-39.85,;.75,-41.05,;-.77,-40.83,;-1.34,-39.4,;-.38,-38.2,;-1.72,-42.04,;-3.23,-41.71,;-4.44,-42.68,;-5.78,-41.92,;-7.1,-42.69,;-7.1,-44.23,;-5.77,-45,;-4.44,-44.22,;-3.22,-45.18,;-1.71,-44.83,;-.58,-45.89,;.78,-45.14,;.49,-43.62,;-1.05,-43.43,)| Show InChI InChI=1S/C21H24N4O2/c26-21(27)17-11-18(12-17)23-7-9-24(10-8-23)19-13-15-3-1-2-4-16(15)14-25-6-5-22-20(19)25/h1-6,13,17-18H,7-12,14H2,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2A receptor expressed in HEK cells assessed as intracellular calcium luminescence by aequorin assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50416674
(CHEMBL1222626)Show SMILES OC(=O)C1CC(C1)N1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12 |t:15,(5.93,-34.54,;4.41,-34.32,;3.85,-32.88,;3.45,-35.52,;3.63,-37.05,;2.1,-37.22,;1.92,-35.69,;1.14,-38.42,;1.7,-39.85,;.75,-41.05,;-.77,-40.83,;-1.34,-39.4,;-.38,-38.2,;-1.72,-42.04,;-3.23,-41.71,;-4.44,-42.68,;-5.78,-41.92,;-7.1,-42.69,;-7.1,-44.23,;-5.77,-45,;-4.44,-44.22,;-3.22,-45.18,;-1.71,-44.83,;-.58,-45.89,;.78,-45.14,;.49,-43.62,;-1.05,-43.43,)| Show InChI InChI=1S/C21H24N4O2/c26-21(27)17-11-18(12-17)23-7-9-24(10-8-23)19-13-15-3-1-2-4-16(15)14-25-6-5-22-20(19)25/h1-6,13,17-18H,7-12,14H2,(H,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2B receptor expressed in human SHSY5Y cells by FLPR assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50416674
(CHEMBL1222626)Show SMILES OC(=O)C1CC(C1)N1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12 |t:15,(5.93,-34.54,;4.41,-34.32,;3.85,-32.88,;3.45,-35.52,;3.63,-37.05,;2.1,-37.22,;1.92,-35.69,;1.14,-38.42,;1.7,-39.85,;.75,-41.05,;-.77,-40.83,;-1.34,-39.4,;-.38,-38.2,;-1.72,-42.04,;-3.23,-41.71,;-4.44,-42.68,;-5.78,-41.92,;-7.1,-42.69,;-7.1,-44.23,;-5.77,-45,;-4.44,-44.22,;-3.22,-45.18,;-1.71,-44.83,;-.58,-45.89,;.78,-45.14,;.49,-43.62,;-1.05,-43.43,)| Show InChI InChI=1S/C21H24N4O2/c26-21(27)17-11-18(12-17)23-7-9-24(10-8-23)19-13-15-3-1-2-4-16(15)14-25-6-5-22-20(19)25/h1-6,13,17-18H,7-12,14H2,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2A receptor expressed in HEK cells assessed as intracellular calcium luminescence by aequorin assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50416674
(CHEMBL1222626)Show SMILES OC(=O)C1CC(C1)N1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12 |t:15,(5.93,-34.54,;4.41,-34.32,;3.85,-32.88,;3.45,-35.52,;3.63,-37.05,;2.1,-37.22,;1.92,-35.69,;1.14,-38.42,;1.7,-39.85,;.75,-41.05,;-.77,-40.83,;-1.34,-39.4,;-.38,-38.2,;-1.72,-42.04,;-3.23,-41.71,;-4.44,-42.68,;-5.78,-41.92,;-7.1,-42.69,;-7.1,-44.23,;-5.77,-45,;-4.44,-44.22,;-3.22,-45.18,;-1.71,-44.83,;-.58,-45.89,;.78,-45.14,;.49,-43.62,;-1.05,-43.43,)| Show InChI InChI=1S/C21H24N4O2/c26-21(27)17-11-18(12-17)23-7-9-24(10-8-23)19-13-15-3-1-2-4-16(15)14-25-6-5-22-20(19)25/h1-6,13,17-18H,7-12,14H2,(H,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2C receptor expressed in human SHSY5Y cells by FLPR assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50416669
(CHEMBL1222553)Show SMILES OC(=O)CCN1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12 |t:12| Show InChI InChI=1S/C19H22N4O2/c24-18(25)5-7-21-9-11-22(12-10-21)17-13-15-3-1-2-4-16(15)14-23-8-6-20-19(17)23/h1-4,6,8,13H,5,7,9-12,14H2,(H,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2C receptor expressed in human SHSY5Y cells by FLPR assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50416670
(CHEMBL1222554)Show SMILES CC(C)(CN1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12)C(O)=O |t:11| Show InChI InChI=1S/C21H26N4O2/c1-21(2,20(26)27)15-23-9-11-24(12-10-23)18-13-16-5-3-4-6-17(16)14-25-8-7-22-19(18)25/h3-8,13H,9-12,14-15H2,1-2H3,(H,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2B receptor expressed in human SHSY5Y cells by FLPR assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50416671
(CHEMBL1222623)Show SMILES CC(C)(CN1CCCN(CC1)C1=Cc2ccccc2Cn2ccnc12)C(O)=O |t:12| Show InChI InChI=1S/C22H28N4O2/c1-22(2,21(27)28)16-24-9-5-10-25(13-12-24)19-14-17-6-3-4-7-18(17)15-26-11-8-23-20(19)26/h3-4,6-8,11,14H,5,9-10,12-13,15-16H2,1-2H3,(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2C receptor expressed in human SHSY5Y cells by FLPR assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50416671
(CHEMBL1222623)Show SMILES CC(C)(CN1CCCN(CC1)C1=Cc2ccccc2Cn2ccnc12)C(O)=O |t:12| Show InChI InChI=1S/C22H28N4O2/c1-22(2,21(27)28)16-24-9-5-10-25(13-12-24)19-14-17-6-3-4-7-18(17)15-26-11-8-23-20(19)26/h3-4,6-8,11,14H,5,9-10,12-13,15-16H2,1-2H3,(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2B receptor expressed in human SHSY5Y cells by FLPR assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50416675
(CHEMBL1222692)Show SMILES OC(=O)C1CCC(CC1)N1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12 |t:17,(4.66,4.39,;3.14,4.62,;2.58,6.05,;2.18,3.42,;2.74,1.98,;1.78,.79,;.25,1.02,;-.31,2.45,;.66,3.65,;-.71,-.18,;-.15,-1.61,;-1.1,-2.81,;-2.62,-2.58,;-3.19,-1.16,;-2.23,.05,;-3.57,-3.79,;-5.08,-3.46,;-6.29,-4.44,;-7.62,-3.67,;-8.95,-4.44,;-8.95,-5.98,;-7.62,-6.75,;-6.29,-5.98,;-5.07,-6.94,;-3.56,-6.59,;-2.42,-7.65,;-1.07,-6.89,;-1.36,-5.38,;-2.9,-5.18,)| Show InChI InChI=1S/C23H28N4O2/c28-23(29)17-5-7-20(8-6-17)25-11-13-26(14-12-25)21-15-18-3-1-2-4-19(18)16-27-10-9-24-22(21)27/h1-4,9-10,15,17,20H,5-8,11-14,16H2,(H,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2C receptor expressed in human SHSY5Y cells by FLPR assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50416675
(CHEMBL1222692)Show SMILES OC(=O)C1CCC(CC1)N1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12 |t:17,(4.66,4.39,;3.14,4.62,;2.58,6.05,;2.18,3.42,;2.74,1.98,;1.78,.79,;.25,1.02,;-.31,2.45,;.66,3.65,;-.71,-.18,;-.15,-1.61,;-1.1,-2.81,;-2.62,-2.58,;-3.19,-1.16,;-2.23,.05,;-3.57,-3.79,;-5.08,-3.46,;-6.29,-4.44,;-7.62,-3.67,;-8.95,-4.44,;-8.95,-5.98,;-7.62,-6.75,;-6.29,-5.98,;-5.07,-6.94,;-3.56,-6.59,;-2.42,-7.65,;-1.07,-6.89,;-1.36,-5.38,;-2.9,-5.18,)| Show InChI InChI=1S/C23H28N4O2/c28-23(29)17-5-7-20(8-6-17)25-11-13-26(14-12-25)21-15-18-3-1-2-4-19(18)16-27-10-9-24-22(21)27/h1-4,9-10,15,17,20H,5-8,11-14,16H2,(H,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2C receptor expressed in human SHSY5Y cells by FLPR assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50416671
(CHEMBL1222623)Show SMILES CC(C)(CN1CCCN(CC1)C1=Cc2ccccc2Cn2ccnc12)C(O)=O |t:12| Show InChI InChI=1S/C22H28N4O2/c1-22(2,21(27)28)16-24-9-5-10-25(13-12-24)19-14-17-6-3-4-7-18(17)15-26-11-8-23-20(19)26/h3-4,6-8,11,14H,5,9-10,12-13,15-16H2,1-2H3,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2A receptor expressed in HEK cells assessed as intracellular calcium luminescence by aequorin assay |
Bioorg Med Chem Lett 20: 5069-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.029
BindingDB Entry DOI: 10.7270/Q20R9QNT |
More data for this
Ligand-Target Pair | |
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