Found 141 hits Enz. Inhib. hit(s) with all data for entry = 50044172 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50007659
(CHEMBL3233142)Show SMILES Cc1ccc(cc1)S([O-])(=O)=O.[H][C@]12CC[NH+](CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3N(C)CCN2c13 |r| Show InChI InChI=1S/C24H28FN3O.C7H8O3S/c1-26-14-15-28-21-11-13-27(16-20(21)19-4-2-5-22(26)24(19)28)12-3-6-23(29)17-7-9-18(25)10-8-17;1-6-2-4-7(5-3-6)11(8,9)10/h2,4-5,7-10,20-21H,3,6,11-16H2,1H3;2-5H,1H3,(H,8,9,10)/t20-,21-;/m0./s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125]DOI from human recombinant full length 5HT2A receptor expressed in HEK293E cells |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50007666
(CHEMBL3233432)Show SMILES [H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3OCCN2c13 |r| Show InChI InChI=1S/C23H25FN2O2/c24-17-8-6-16(7-9-17)21(27)4-2-11-25-12-10-20-19(15-25)18-3-1-5-22-23(18)26(20)13-14-28-22/h1,3,5-9,19-20H,2,4,10-15H2/t19-,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.890 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125]DOI from human recombinant full length 5HT2A receptor expressed in HEK293E cells |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50007667
(CHEMBL3233143)Show SMILES [H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3NCCN2c13 |r| Show InChI InChI=1S/C23H26FN3O/c24-17-8-6-16(7-9-17)22(28)5-2-12-26-13-10-21-19(15-26)18-3-1-4-20-23(18)27(21)14-11-25-20/h1,3-4,6-9,19,21,25H,2,5,10-15H2/t19-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.940 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125]DOI from human recombinant full length 5HT2A receptor expressed in HEK293E cells |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50007662
(CHEMBL3233427)Show SMILES [H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3CCCN2c13 |r| Show InChI InChI=1S/C24H27FN2O/c25-19-10-8-17(9-11-19)23(28)7-3-13-26-15-12-22-21(16-26)20-6-1-4-18-5-2-14-27(22)24(18)20/h1,4,6,8-11,21-22H,2-3,5,7,12-16H2/t21-,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125]DOI from human recombinant full length 5HT2A receptor expressed in HEK293E cells |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50001884
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of histamine H1 receptor (unknown origin) |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50007718
(CHEMBL3233430)Show SMILES [H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3CCCCN2c13 |r| Show InChI InChI=1S/C25H29FN2O/c26-20-11-9-18(10-12-20)24(29)8-4-14-27-16-13-23-22(17-27)21-7-3-6-19-5-1-2-15-28(23)25(19)21/h3,6-7,9-12,22-23H,1-2,4-5,8,13-17H2/t22-,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125]DOI from human recombinant full length 5HT2A receptor expressed in HEK293E cells |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50007665
(CHEMBL3233431)Show SMILES [H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3SCCN2c13 |r| Show InChI InChI=1S/C23H25FN2OS/c24-17-8-6-16(7-9-17)21(27)4-2-11-25-12-10-20-19(15-25)18-3-1-5-22-23(18)26(20)13-14-28-22/h1,3,5-9,19-20H,2,4,10-15H2/t19-,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125]DOI from human recombinant full length 5HT2A receptor expressed in HEK293E cells |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50007661
(CHEMBL3233423)Show SMILES [H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)CC[C@@]1([H])c1cccc3N(C)CCN2c13 |r| Show InChI InChI=1S/C25H30FN3O/c1-27-16-17-29-22-12-15-28(13-3-6-24(30)18-7-9-19(26)10-8-18)14-11-20(22)21-4-2-5-23(27)25(21)29/h2,4-5,7-10,20,22H,3,6,11-17H2,1H3/t20-,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125]DOI from human recombinant full length 5HT2A receptor expressed in HEK293E cells |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM35254
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of histamine H1 receptor (unknown origin) |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50007668
(CHEMBL3233144)Show SMILES [H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3N(CC)CCN2c13 |r| Show InChI InChI=1S/C25H30FN3O/c1-2-28-15-16-29-22-12-14-27(17-21(22)20-5-3-6-23(28)25(20)29)13-4-7-24(30)18-8-10-19(26)11-9-18/h3,5-6,8-11,21-22H,2,4,7,12-17H2,1H3/t21-,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125]DOI from human recombinant full length 5HT2A receptor expressed in HEK293E cells |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50007680
(CHEMBL3233409)Show SMILES [H][C@]12CCN(CCCOc3ccc(F)cc3)C[C@@]1([H])c1cccc3N(C)CCN2c13 |r| Show InChI InChI=1S/C23H28FN3O/c1-25-13-14-27-21-10-12-26(11-3-15-28-18-8-6-17(24)7-9-18)16-20(21)19-4-2-5-22(25)23(19)27/h2,4-9,20-21H,3,10-16H2,1H3/t20-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125]DOI from human recombinant full length 5HT2A receptor expressed in HEK293E cells |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM35254
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125]DOI from human recombinant full length 5HT2A receptor expressed in HEK293E cells |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50007683
(CHEMBL3233412)Show SMILES [H][C@]12CCN(CCCc3noc4cc(F)ccc34)C[C@@]1([H])c1cccc3N(C)CCN2c13 |r| Show InChI InChI=1S/C24H27FN4O/c1-27-12-13-29-21-9-11-28(15-19(21)17-4-2-6-22(27)24(17)29)10-3-5-20-18-8-7-16(25)14-23(18)30-26-20/h2,4,6-8,14,19,21H,3,5,9-13,15H2,1H3/t19-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125]DOI from human recombinant full length 5HT2A receptor expressed in HEK293E cells |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50007663
(CHEMBL3233429)Show SMILES [H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3CCN2c13 |r| Show InChI InChI=1S/C23H25FN2O/c24-18-8-6-16(7-9-18)22(27)5-2-12-25-13-11-21-20(15-25)19-4-1-3-17-10-14-26(21)23(17)19/h1,3-4,6-9,20-21H,2,5,10-15H2/t20-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125]DOI from human recombinant full length 5HT2A receptor expressed in HEK293E cells |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50007682
(CHEMBL3233411)Show SMILES [H][C@]12CCN(CCCc3noc4ccccc34)C[C@@]1([H])c1cccc3N(C)CCN2c13 |r| Show InChI InChI=1S/C24H28N4O/c1-26-14-15-28-21-11-13-27(16-19(21)17-7-4-9-22(26)24(17)28)12-5-8-20-18-6-2-3-10-23(18)29-25-20/h2-4,6-7,9-10,19,21H,5,8,11-16H2,1H3/t19-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125]DOI from human recombinant full length 5HT2A receptor expressed in HEK293E cells |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50007673
(CHEMBL3233149)Show SMILES [H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cc(OC)cc3N(C)CCN2c13 |r| Show InChI InChI=1S/C25H30FN3O2/c1-27-12-13-29-22-9-11-28(10-3-4-24(30)17-5-7-18(26)8-6-17)16-21(22)20-14-19(31-2)15-23(27)25(20)29/h5-8,14-15,21-22H,3-4,9-13,16H2,1-2H3/t21-,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125]DOI from human recombinant full length 5HT2A receptor expressed in HEK293E cells |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50007672
(CHEMBL3233148)Show SMILES [H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cc(Br)cc3N(C)CCN2c13 |r| Show InChI InChI=1S/C24H27BrFN3O/c1-27-11-12-29-21-8-10-28(9-2-3-23(30)16-4-6-18(26)7-5-16)15-20(21)19-13-17(25)14-22(27)24(19)29/h4-7,13-14,20-21H,2-3,8-12,15H2,1H3/t20-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125]DOI from human recombinant full length 5HT2A receptor expressed in HEK293E cells |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50007710
(CHEMBL3233419)Show SMILES [H][C@@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@]1([H])c1cccc3N(C)CCN2c13 |r| Show InChI InChI=1S/C24H28FN3O/c1-26-14-15-28-21-11-13-27(16-20(21)19-4-2-5-22(26)24(19)28)12-3-6-23(29)17-7-9-18(25)10-8-17/h2,4-5,7-10,20-21H,3,6,11-16H2,1H3/t20-,21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125]DOI from human recombinant full length 5HT2A receptor expressed in HEK293E cells |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50007671
(CHEMBL3233147)Show SMILES [H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3N(Cc4ccccc4)CCN2c13 |r| Show InChI InChI=1S/C30H32FN3O/c31-24-13-11-23(12-14-24)29(35)10-5-16-32-17-15-27-26(21-32)25-8-4-9-28-30(25)34(27)19-18-33(28)20-22-6-2-1-3-7-22/h1-4,6-9,11-14,26-27H,5,10,15-21H2/t26-,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125]DOI from human recombinant full length 5HT2A receptor expressed in HEK293E cells |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50007678
(CHEMBL3233407)Show SMILES [H][C@]12CCN(CCCC(=O)c3ccncc3)C[C@@]1([H])c1cccc3N(C)CCN2c13 |r| Show InChI InChI=1S/C23H28N4O/c1-25-14-15-27-20-9-13-26(12-3-6-22(28)17-7-10-24-11-8-17)16-19(20)18-4-2-5-21(25)23(18)27/h2,4-5,7-8,10-11,19-20H,3,6,9,12-16H2,1H3/t19-,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125]DOI from human recombinant full length 5HT2A receptor expressed in HEK293E cells |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50007716
(CHEMBL3233426)Show SMILES [H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3N(C)CC(C)(C)N2c13 |r| Show InChI InChI=1S/C26H32FN3O/c1-26(2)17-28(3)23-7-4-6-20-21-16-29(15-13-22(21)30(26)25(20)23)14-5-8-24(31)18-9-11-19(27)12-10-18/h4,6-7,9-12,21-22H,5,8,13-17H2,1-3H3/t21-,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125]DOI from human recombinant full length 5HT2A receptor expressed in HEK293E cells |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50007713
(CHEMBL3233422)Show SMILES [H][C@@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@]1([H])c1cccc3NCCN2c13 |r| Show InChI InChI=1S/C23H26FN3O/c24-17-8-6-16(7-9-17)22(28)5-2-12-26-13-10-21-19(15-26)18-3-1-4-20-23(18)27(21)14-11-25-20/h1,3-4,6-9,19,21,25H,2,5,10-15H2/t19-,21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125]DOI from human recombinant full length 5HT2A receptor expressed in HEK293E cells |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50007715
(CHEMBL3233425)Show SMILES [H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3N(C)CC(C)N2c13 |r| Show InChI InChI=1S/C25H30FN3O/c1-17-15-27(2)23-6-3-5-20-21-16-28(14-12-22(21)29(17)25(20)23)13-4-7-24(30)18-8-10-19(26)11-9-18/h3,5-6,8-11,17,21-22H,4,7,12-16H2,1-2H3/t17?,21-,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125]DOI from human recombinant full length 5HT2A receptor expressed in HEK293E cells |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50007675
(CHEMBL3233406)Show SMILES [H][C@]12CCN(CCCC(=O)c3ccccc3)C[C@@]1([H])c1cccc3N(C)CCN2c13 |r| Show InChI InChI=1S/C24H29N3O/c1-25-15-16-27-21-12-14-26(13-6-11-23(28)18-7-3-2-4-8-18)17-20(21)19-9-5-10-22(25)24(19)27/h2-5,7-10,20-21H,6,11-17H2,1H3/t20-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125]DOI from human recombinant full length 5HT2A receptor expressed in HEK293E cells |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM35254
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 7.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125]DOI from human recombinant full length 5HT2C receptor expressed in HEK293E cells |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50007669
(CHEMBL3233145)Show SMILES [H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3N(CCN2c13)C(C)C |r| Show InChI InChI=1S/C26H32FN3O/c1-18(2)29-15-16-30-23-12-14-28(17-22(23)21-5-3-6-24(29)26(21)30)13-4-7-25(31)19-8-10-20(27)11-9-19/h3,5-6,8-11,18,22-23H,4,7,12-17H2,1-2H3/t22-,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125]DOI from human recombinant full length 5HT2A receptor expressed in HEK293E cells |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50007717
(CHEMBL3233428)Show SMILES [H][C@@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@]1([H])c1cccc3CCCN2c13 |r| Show InChI InChI=1S/C24H27FN2O/c25-19-10-8-17(9-11-19)23(28)7-3-13-26-15-12-22-21(16-26)20-6-1-4-18-5-2-14-27(22)24(18)20/h1,4,6,8-11,21-22H,2-3,5,7,12-16H2/t21-,22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125]DOI from human recombinant full length 5HT2A receptor expressed in HEK293E cells |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50001884
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 9.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125]DOI from human recombinant full length 5HT2A receptor expressed in HEK293E cells |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Rattus norvegicus (rat)) | BDBM50001884
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3 | Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat adrenergic alpha1B receptor |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50001884
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125]DOI from human recombinant full length 5HT2C receptor expressed in HEK293E cells |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50007660
(CHEMBL3233433)Show SMILES [H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)CC[C@@]1([H])c1cccc3OCCN2c13 |r| Show InChI InChI=1S/C24H27FN2O2/c25-18-8-6-17(7-9-18)22(28)4-2-12-26-13-10-19-20-3-1-5-23-24(20)27(15-16-29-23)21(19)11-14-26/h1,3,5-9,19,21H,2,4,10-16H2/t19-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125]DOI from human recombinant full length 5HT2A receptor expressed in HEK293E cells |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50007670
(CHEMBL3233146)Show SMILES [H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3N(CCCC)CCN2c13 |r| Show InChI InChI=1S/C27H34FN3O/c1-2-3-15-30-17-18-31-24-13-16-29(19-23(24)22-6-4-7-25(30)27(22)31)14-5-8-26(32)20-9-11-21(28)12-10-20/h4,6-7,9-12,23-24H,2-3,5,8,13-19H2,1H3/t23-,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125]DOI from human recombinant full length 5HT2A receptor expressed in HEK293E cells |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50007714
(CHEMBL3233424)Show SMILES [H][C@@]12CCN(CCCC(=O)c3ccc(F)cc3)CC[C@]1([H])c1cccc3N(C)CCN2c13 |r| Show InChI InChI=1S/C25H30FN3O/c1-27-16-17-29-22-12-15-28(13-3-6-24(30)18-7-9-19(26)10-8-18)14-11-20(22)21-4-2-5-23(27)25(21)29/h2,4-5,7-10,20,22H,3,6,11-17H2,1H3/t20-,22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125]DOI from human recombinant full length 5HT2A receptor expressed in HEK293E cells |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50007684
(CHEMBL3233413)Show SMILES [H][C@]12CCN(CCCc3n[nH]c4cc(F)ccc34)C[C@@]1([H])c1cccc3N(C)CCN2c13 |r| Show InChI InChI=1S/C24H28FN5/c1-28-12-13-30-22-9-11-29(15-19(22)17-4-2-6-23(28)24(17)30)10-3-5-20-18-8-7-16(25)14-21(18)27-26-20/h2,4,6-8,14,19,22H,3,5,9-13,15H2,1H3,(H,26,27)/t19-,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125]DOI from human recombinant full length 5HT2A receptor expressed in HEK293E cells |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50001884
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of adrenergic alpha1A receptor (unknown origin) |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50007684
(CHEMBL3233413)Show SMILES [H][C@]12CCN(CCCc3n[nH]c4cc(F)ccc34)C[C@@]1([H])c1cccc3N(C)CCN2c13 |r| Show InChI InChI=1S/C24H28FN5/c1-28-12-13-30-22-9-11-29(15-19(22)17-4-2-6-23(28)24(17)30)10-3-5-20-18-8-7-16(25)14-21(18)27-26-20/h2,4,6-8,14,19,22H,3,5,9-13,15H2,1H3,(H,26,27)/t19-,22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-N-methylspiperone from rat recombinant dopamine D2 short receptor expressed in CHO cells |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50007680
(CHEMBL3233409)Show SMILES [H][C@]12CCN(CCCOc3ccc(F)cc3)C[C@@]1([H])c1cccc3N(C)CCN2c13 |r| Show InChI InChI=1S/C23H28FN3O/c1-25-13-14-27-21-10-12-26(11-3-15-28-18-8-6-17(24)7-9-18)16-20(21)19-4-2-5-22(25)23(19)27/h2,4-9,20-21H,3,10-16H2,1H3/t20-,21-/m0/s1 | PDB
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| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-N-methyl-citalopram from SERT in human platelets after 60 mins by liquid scintillation counting analysis |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50007662
(CHEMBL3233427)Show SMILES [H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3CCCN2c13 |r| Show InChI InChI=1S/C24H27FN2O/c25-19-10-8-17(9-11-19)23(28)7-3-13-26-15-12-22-21(16-26)20-6-1-4-18-5-2-14-27(22)24(18)20/h1,4,6,8-11,21-22H,2-3,5,7,12-16H2/t21-,22-/m0/s1 | PDB
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| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-N-methylspiperone from rat recombinant dopamine D2 short receptor expressed in CHO cells |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50007686
(CHEMBL3233415)Show SMILES [H][C@]12CCN(CCc3cc4CC(=O)Nc4cc3Cl)C[C@@]1([H])c1cccc3N(C)CCN2c13 |r| Show InChI InChI=1S/C24H27ClN4O/c1-27-9-10-29-21-6-8-28(14-18(21)17-3-2-4-22(27)24(17)29)7-5-15-11-16-12-23(30)26-20(16)13-19(15)25/h2-4,11,13,18,21H,5-10,12,14H2,1H3,(H,26,30)/t18-,21-/m0/s1 | PDB
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| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-N-methyl-citalopram from SERT in human platelets after 60 mins by liquid scintillation counting analysis |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM35254
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3 | PDB
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| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human dopamine D4 receptor |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50007667
(CHEMBL3233143)Show SMILES [H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3NCCN2c13 |r| Show InChI InChI=1S/C23H26FN3O/c24-17-8-6-16(7-9-17)22(28)5-2-12-26-13-10-21-19(15-26)18-3-1-4-20-23(18)27(21)14-11-25-20/h1,3-4,6-9,19,21,25H,2,5,10-15H2/t19-,21-/m0/s1 | PDB
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| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-N-methylspiperone from rat recombinant dopamine D2 short receptor expressed in CHO cells |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM35254
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3 | PDB
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| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-N-methylspiperone from rat recombinant dopamine D2 short receptor expressed in CHO cells |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Homo sapiens (Human)) | BDBM50007659
(CHEMBL3233142)Show SMILES Cc1ccc(cc1)S([O-])(=O)=O.[H][C@]12CC[NH+](CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3N(C)CCN2c13 |r| Show InChI InChI=1S/C24H28FN3O.C7H8O3S/c1-26-14-15-28-21-11-13-27(16-20(21)19-4-2-5-22(26)24(19)28)12-3-6-23(29)17-7-9-18(25)10-8-17;1-6-2-4-7(5-3-6)11(8,9)10/h2,4-5,7-10,20-21H,3,6,11-16H2,1H3;2-5H,1H3,(H,8,9,10)/t20-,21-;/m0./s1 | UniProtKB/SwissProt
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| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of adrenergic alpha1B receptor (unknown origin) |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50007667
(CHEMBL3233143)Show SMILES [H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3NCCN2c13 |r| Show InChI InChI=1S/C23H26FN3O/c24-17-8-6-16(7-9-17)22(28)5-2-12-26-13-10-21-19(15-26)18-3-1-4-20-23(18)27(21)14-11-25-20/h1,3-4,6-9,19,21,25H,2,5,10-15H2/t19-,21-/m0/s1 | PDB
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| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-N-methyl-citalopram from SERT in human platelets after 60 mins by liquid scintillation counting analysis |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50007659
(CHEMBL3233142)Show SMILES Cc1ccc(cc1)S([O-])(=O)=O.[H][C@]12CC[NH+](CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3N(C)CCN2c13 |r| Show InChI InChI=1S/C24H28FN3O.C7H8O3S/c1-26-14-15-28-21-11-13-27(16-20(21)19-4-2-5-22(26)24(19)28)12-3-6-23(29)17-7-9-18(25)10-8-17;1-6-2-4-7(5-3-6)11(8,9)10/h2,4-5,7-10,20-21H,3,6,11-16H2,1H3;2-5H,1H3,(H,8,9,10)/t20-,21-;/m0./s1 | PDB
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| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-N-methylspiperone from rat recombinant dopamine D2 short receptor expressed in CHO cells |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50001884
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3 | PDB
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| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human dopamine D4 receptor |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50007666
(CHEMBL3233432)Show SMILES [H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3OCCN2c13 |r| Show InChI InChI=1S/C23H25FN2O2/c24-17-8-6-16(7-9-17)21(27)4-2-11-25-12-10-20-19(15-25)18-3-1-5-22-23(18)26(20)13-14-28-22/h1,3,5-9,19-20H,2,4,10-15H2/t19-,20-/m0/s1 | PDB
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| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-N-methylspiperone from rat recombinant dopamine D2 short receptor expressed in CHO cells |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50007675
(CHEMBL3233406)Show SMILES [H][C@]12CCN(CCCC(=O)c3ccccc3)C[C@@]1([H])c1cccc3N(C)CCN2c13 |r| Show InChI InChI=1S/C24H29N3O/c1-25-15-16-27-21-12-14-26(13-6-11-23(28)18-7-3-2-4-8-18)17-20(21)19-9-5-10-22(25)24(19)27/h2-5,7-10,20-21H,6,11-17H2,1H3/t20-,21-/m0/s1 | PDB
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| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-N-methylspiperone from rat recombinant dopamine D2 short receptor expressed in CHO cells |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50007673
(CHEMBL3233149)Show SMILES [H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cc(OC)cc3N(C)CCN2c13 |r| Show InChI InChI=1S/C25H30FN3O2/c1-27-12-13-29-22-9-11-28(10-3-4-24(30)17-5-7-18(26)8-6-17)16-21(22)20-14-19(31-2)15-23(27)25(20)29/h5-8,14-15,21-22H,3-4,9-13,16H2,1-2H3/t21-,22-/m0/s1 | PDB
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| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-N-methylspiperone from rat recombinant dopamine D2 short receptor expressed in CHO cells |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50007685
(CHEMBL3233414)Show SMILES [H][C@]12CCN(CC3CC(=NO3)c3ccc(F)cc3)C[C@@]1([H])c1cccc3N(C)CCN2c13 |r,c:8| Show InChI InChI=1S/C24H27FN4O/c1-27-11-12-29-22-9-10-28(15-20(22)19-3-2-4-23(27)24(19)29)14-18-13-21(26-30-18)16-5-7-17(25)8-6-16/h2-8,18,20,22H,9-15H2,1H3/t18?,20-,22-/m0/s1 | PDB
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| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125]DOI from human recombinant full length 5HT2A receptor expressed in HEK293E cells |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this
Ligand-Target Pair | |
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