BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 134 hits Enz. Inhib. hit(s) with all data for entry = 5221   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM82217
PNG
(CHEMBL284994 | CP-52003 | SERTRALINE | [4-(3,4-Dic...)
Show SMILES CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.190n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM22416
PNG
((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
PubMed
0.290n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM25870
PNG
(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Show SMILES CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
PubMed
1.80n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Norepinephrine transporter


(RAT)
BDBM82437
PNG
(CAS_23047-25-8 | Lofepramine | NSC_3947 | US862913...)
Show SMILES CN(CCCN1c2ccccc2CCc2ccccc12)CC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H27ClN2O/c1-28(19-26(30)22-13-15-23(27)16-14-22)17-6-18-29-24-9-4-2-7-20(24)11-12-21-8-3-5-10-25(21)29/h2-5,7-10,13-16H,6,11-12,17-19H2,1H3
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Patents

PubMed
2.70n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50028091
PNG
((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Show SMILES COCCCC\C(=N/OCCN)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
3.80n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM82548
PNG
(CAS_897-15-4 | Dothiepin | NSC_3155)
Show SMILES CN(C)CCC=C1c2ccccc2CSc2ccccc12
Show InChI InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

PubMed
4n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM30130
PNG
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)
Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
6.80n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50020712
PNG
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)
Show SMILES CN(C)CCC=C1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
8n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50020712
PNG
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)
Show SMILES CN(C)CCC=C1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
8.30n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50020712
PNG
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)
Show SMILES CN(C)CCC=C1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
8.90n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50069447
PNG
(1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...)
Show SMILES CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1
Show InChI InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
10n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50020712
PNG
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)
Show SMILES CN(C)CCC=C1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
11n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
BDBM82548
PNG
(CAS_897-15-4 | Dothiepin | NSC_3155)
Show SMILES CN(C)CCC=C1c2ccccc2CSc2ccccc12
Show InChI InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

PubMed
12n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM50020712
PNG
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)
Show SMILES CN(C)CCC=C1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
GoogleScholar
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
24n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM82548
PNG
(CAS_897-15-4 | Dothiepin | NSC_3155)
Show SMILES CN(C)CCC=C1c2ccccc2CSc2ccccc12
Show InChI InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

PubMed
26n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50069447
PNG
(1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...)
Show SMILES CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1
Show InChI InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
42n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM82217
PNG
(CHEMBL284994 | CP-52003 | SERTRALINE | [4-(3,4-Dic...)
Show SMILES CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
48n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50069447
PNG
(1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...)
Show SMILES CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1
Show InChI InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
68n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50020712
PNG
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)
Show SMILES CN(C)CCC=C1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
69n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM82548
PNG
(CAS_897-15-4 | Dothiepin | NSC_3155)
Show SMILES CN(C)CCC=C1c2ccccc2CSc2ccccc12
Show InChI InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

PubMed
70n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50069447
PNG
(1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...)
Show SMILES CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1
Show InChI InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
72n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM82548
PNG
(CAS_897-15-4 | Dothiepin | NSC_3155)
Show SMILES CN(C)CCC=C1c2ccccc2CSc2ccccc12
Show InChI InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

PubMed
78n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50020712
PNG
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)
Show SMILES CN(C)CCC=C1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
81n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM22416
PNG
((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
GoogleScholar
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
81n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM50069447
PNG
(1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...)
Show SMILES CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1
Show InChI InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3
GoogleScholar
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
110n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM82548
PNG
(CAS_897-15-4 | Dothiepin | NSC_3155)
Show SMILES CN(C)CCC=C1c2ccccc2CSc2ccccc12
Show InChI InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

PubMed
152n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM82217
PNG
(CHEMBL284994 | CP-52003 | SERTRALINE | [4-(3,4-Dic...)
Show SMILES CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17+/m0/s1
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
160n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM30130
PNG
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)
Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
160n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50069447
PNG
(1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...)
Show SMILES CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1
Show InChI InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3
Reactome pathway
KEGG

GoogleScholar
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
180n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM82071
PNG
(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Show SMILES COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
210n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM22416
PNG
((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
210n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM82437
PNG
(CAS_23047-25-8 | Lofepramine | NSC_3947 | US862913...)
Show SMILES CN(CCCN1c2ccccc2CCc2ccccc12)CC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H27ClN2O/c1-28(19-26(30)22-13-15-23(27)16-14-22)17-6-18-29-24-9-4-2-7-20(24)11-12-21-8-3-5-10-25(21)29/h2-5,7-10,13-16H,6,11-12,17-19H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Patents

PubMed
300n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
BDBM50020712
PNG
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)
Show SMILES CN(C)CCC=C1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
340n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM25870
PNG
(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Show SMILES CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
350n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50069447
PNG
(1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...)
Show SMILES CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1
Show InChI InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
370n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM30130
PNG
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)
Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
GoogleScholar
Purchase

CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
370n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM82548
PNG
(CAS_897-15-4 | Dothiepin | NSC_3155)
Show SMILES CN(C)CCC=C1c2ccccc2CSc2ccccc12
Show InChI InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

PubMed
419n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50069447
PNG
(1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...)
Show SMILES CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1
Show InChI InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
470n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM82437
PNG
(CAS_23047-25-8 | Lofepramine | NSC_3947 | US862913...)
Show SMILES CN(CCCN1c2ccccc2CCc2ccccc12)CC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H27ClN2O/c1-28(19-26(30)22-13-15-23(27)16-14-22)17-6-18-29-24-9-4-2-7-20(24)11-12-21-8-3-5-10-25(21)29/h2-5,7-10,13-16H,6,11-12,17-19H2,1H3
UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Patents

PubMed
500n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50048392
PNG
(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
570n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM82437
PNG
(CAS_23047-25-8 | Lofepramine | NSC_3947 | US862913...)
Show SMILES CN(CCCN1c2ccccc2CCc2ccccc12)CC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H27ClN2O/c1-28(19-26(30)22-13-15-23(27)16-14-22)17-6-18-29-24-9-4-2-7-20(24)11-12-21-8-3-5-10-25(21)29/h2-5,7-10,13-16H,6,11-12,17-19H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Patents

PubMed
620n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM50028091
PNG
((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Show SMILES COCCCC\C(=N/OCCN)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+
GoogleScholar
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
620n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM25870
PNG
(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Show SMILES CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
630n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM82071
PNG
(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Show SMILES COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
GoogleScholar
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
640n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM30130
PNG
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)
Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
710n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50020712
PNG
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)
Show SMILES CN(C)CCC=C1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
Reactome pathway
KEGG

GoogleScholar
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
850n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM82437
PNG
(CAS_23047-25-8 | Lofepramine | NSC_3947 | US862913...)
Show SMILES CN(CCCN1c2ccccc2CCc2ccccc12)CC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H27ClN2O/c1-28(19-26(30)22-13-15-23(27)16-14-22)17-6-18-29-24-9-4-2-7-20(24)11-12-21-8-3-5-10-25(21)29/h2-5,7-10,13-16H,6,11-12,17-19H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Patents

PubMed
880n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50069447
PNG
(1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...)
Show SMILES CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1
Show InChI InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3
KEGG

GoogleScholar
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM82437
PNG
(CAS_23047-25-8 | Lofepramine | NSC_3947 | US862913...)
Show SMILES CN(CCCN1c2ccccc2CCc2ccccc12)CC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H27ClN2O/c1-28(19-26(30)22-13-15-23(27)16-14-22)17-6-18-29-24-9-4-2-7-20(24)11-12-21-8-3-5-10-25(21)29/h2-5,7-10,13-16H,6,11-12,17-19H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Patents

PubMed
1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM82217
PNG
(CHEMBL284994 | CP-52003 | SERTRALINE | [4-(3,4-Dic...)
Show SMILES CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 134 total )  |  Next  |  Last  >>
Jump to: