BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with all data for entry = 50006857   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 1A (5HT1A)


(Mus musculus (Mouse))
BDBM50054718
PNG
(3-Amino-thiophene-2-carboxylic acid [4-(4-benzo[d]...)
Show SMILES Nc1ccsc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C20H25N5OS2/c21-16-7-14-27-18(16)20(26)22-8-3-4-9-24-10-12-25(13-11-24)19-15-5-1-2-6-17(15)28-23-19/h1-2,5-7,14H,3-4,8-13,21H2,(H,22,26)
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serotonin 5-hydroxytryptamine 1A receptor from mice.


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Mus musculus (Mouse))
BDBM50054710
PNG
(1,2,3,4-Tetrahydro-quinoline-8-carboxylic acid [4-...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1cccc2CCCNc12
Show InChI InChI=1S/C25H31N5OS/c31-25(21-10-5-7-19-8-6-13-26-23(19)21)27-12-3-4-14-29-15-17-30(18-16-29)24-20-9-1-2-11-22(20)32-28-24/h1-2,5,7,9-11,26H,3-4,6,8,12-18H2,(H,27,31)
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serotonin 5-hydroxytryptamine 1A receptor from mice.


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Mus musculus (Mouse))
BDBM50054713
PNG
(2-Amino-thiophene-3-carboxylic acid [4-(4-benzo[d]...)
Show SMILES Nc1sccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C20H25N5OS2/c21-18-16(7-14-27-18)20(26)22-8-3-4-9-24-10-12-25(13-11-24)19-15-5-1-2-6-17(15)28-23-19/h1-2,5-7,14H,3-4,8-13,21H2,(H,22,26)
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serotonin 5-hydroxytryptamine 1A receptor from mice.


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50054716
PNG
(1H-Indazole-3-carboxylic acid [4-(4-benzo[d]isothi...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1[nH]nc2ccccc12
Show InChI InChI=1S/C23H26N6OS/c30-23(21-17-7-1-3-9-19(17)25-26-21)24-11-5-6-12-28-13-15-29(16-14-28)22-18-8-2-4-10-20(18)31-27-22/h1-4,7-10H,5-6,11-16H2,(H,24,30)(H,25,26)
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse Dopamine receptor D2


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Mus musculus (Mouse))
BDBM50054706
PNG
(1H-Indole-7-carboxylic acid [4-(4-benzo[d]isothiaz...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1cccc2cc[nH]c12
Show InChI InChI=1S/C24H27N5OS/c30-24(20-8-5-6-18-10-12-25-22(18)20)26-11-3-4-13-28-14-16-29(17-15-28)23-19-7-1-2-9-21(19)31-27-23/h1-2,5-10,12,25H,3-4,11,13-17H2,(H,26,30)
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serotonin 5-hydroxytryptamine 1A receptor from mice.


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Mus musculus (Mouse))
BDBM50054707
PNG
(CHEMBL344994 | Pyridine-2-carboxylic acid [4-(4-be...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1ccccn1
Show InChI InChI=1S/C21H25N5OS/c27-21(18-8-3-4-10-22-18)23-11-5-6-12-25-13-15-26(16-14-25)20-17-7-1-2-9-19(17)28-24-20/h1-4,7-10H,5-6,11-16H2,(H,23,27)
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.80n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serotonin 5-hydroxytryptamine 1A receptor from mice.


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Mus musculus (Mouse))
BDBM50054705
PNG
(2-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...)
Show SMILES Nc1ncccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H26N6OS/c22-19-17(7-5-10-23-19)21(28)24-9-3-4-11-26-12-14-27(15-13-26)20-16-6-1-2-8-18(16)29-25-20/h1-2,5-8,10H,3-4,9,11-15H2,(H2,22,23)(H,24,28)
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.30n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serotonin 5-hydroxytryptamine 1A receptor from mice.


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Mus musculus (Mouse))
BDBM50054715
PNG
(4-Amino-thiophene-3-carboxylic acid [4-(4-benzo[d]...)
Show SMILES Nc1cscc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C20H25N5OS2/c21-17-14-27-13-16(17)20(26)22-7-3-4-8-24-9-11-25(12-10-24)19-15-5-1-2-6-18(15)28-23-19/h1-2,5-6,13-14H,3-4,7-12,21H2,(H,22,26)
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.5n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serotonin 5-hydroxytryptamine 1A receptor from mice.


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Mus musculus (Mouse))
BDBM50054716
PNG
(1H-Indazole-3-carboxylic acid [4-(4-benzo[d]isothi...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1[nH]nc2ccccc12
Show InChI InChI=1S/C23H26N6OS/c30-23(21-17-7-1-3-9-19(17)25-26-21)24-11-5-6-12-28-13-15-29(16-14-28)22-18-8-2-4-10-20(18)31-27-22/h1-4,7-10H,5-6,11-16H2,(H,24,30)(H,25,26)
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.60n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serotonin 5-hydroxytryptamine 1A receptor from mice.


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Mus musculus (Mouse))
BDBM50054714
PNG
(3-Amino-pyridine-2-carboxylic acid [4-(4-benzo[d]i...)
Show SMILES Nc1cccnc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H26N6OS/c22-17-7-5-10-23-19(17)21(28)24-9-3-4-11-26-12-14-27(15-13-26)20-16-6-1-2-8-18(16)29-25-20/h1-2,5-8,10H,3-4,9,11-15,22H2,(H,24,28)
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serotonin 5-hydroxytryptamine 1A receptor from mice.


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Mus musculus (Mouse))
BDBM50054712
PNG
(3H-Benzoimidazole-4-carboxylic acid [4-(4-benzo[d]...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1cccc2nc[nH]c12
Show InChI InChI=1S/C23H26N6OS/c30-23(18-7-5-8-19-21(18)26-16-25-19)24-10-3-4-11-28-12-14-29(15-13-28)22-17-6-1-2-9-20(17)31-27-22/h1-2,5-9,16H,3-4,10-15H2,(H,24,30)(H,25,26)
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.20n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serotonin 5-hydroxytryptamine 1A receptor from mice.


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Mus musculus (Mouse))
BDBM50054704
PNG
(2,3-Dihydro-1H-indole-7-carboxylic acid [4-(4-benz...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1cccc2CCNc12
Show InChI InChI=1S/C24H29N5OS/c30-24(20-8-5-6-18-10-12-25-22(18)20)26-11-3-4-13-28-14-16-29(17-15-28)23-19-7-1-2-9-21(19)31-27-23/h1-2,5-9,25H,3-4,10-17H2,(H,26,30)
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.30n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serotonin 5-hydroxytryptamine 1A receptor from mice.


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Mus musculus (Mouse))
BDBM50054703
PNG
(CHEMBL358268 | Quinoline-8-carboxylic acid [4-(4-b...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1cccc2cccnc12
Show InChI InChI=1S/C25H27N5OS/c31-25(21-10-5-7-19-8-6-13-26-23(19)21)27-12-3-4-14-29-15-17-30(18-16-29)24-20-9-1-2-11-22(20)32-28-24/h1-2,5-11,13H,3-4,12,14-18H2,(H,27,31)
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.30n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serotonin 5-hydroxytryptamine 1A receptor from mice.


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50054711
PNG
(4-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...)
Show SMILES Nc1ccncc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H26N6OS/c22-18-7-9-23-15-17(18)21(28)24-8-3-4-10-26-11-13-27(14-12-26)20-16-5-1-2-6-19(16)29-25-20/h1-2,5-7,9,15H,3-4,8,10-14H2,(H2,22,23)(H,24,28)
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.70n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine receptor D2 from mice


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Mus musculus (Mouse))
BDBM50054719
PNG
(CHEMBL356498 | N-[4-(4-Benzo[d]isothiazol-3-yl-pip...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1cccnc1
Show InChI InChI=1S/C21H25N5OS/c27-21(17-6-5-9-22-16-17)23-10-3-4-11-25-12-14-26(15-13-25)20-18-7-1-2-8-19(18)28-24-20/h1-2,5-9,16H,3-4,10-15H2,(H,23,27)
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.90n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serotonin 5-hydroxytryptamine 1A receptor from mice.


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Mus musculus (Mouse))
BDBM50054711
PNG
(4-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...)
Show SMILES Nc1ccncc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H26N6OS/c22-18-7-9-23-15-17(18)21(28)24-8-3-4-10-26-11-13-27(14-12-26)20-16-5-1-2-6-19(16)29-25-20/h1-2,5-7,9,15H,3-4,8,10-14H2,(H2,22,23)(H,24,28)
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.10n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serotonin 5-hydroxytryptamine 1A receptor from mice.


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Mus musculus (Mouse))
BDBM50054708
PNG
(1H-Indole-3-carboxylic acid [4-(4-benzo[d]isothiaz...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1c[nH]c2ccccc12
Show InChI InChI=1S/C24H27N5OS/c30-24(20-17-26-21-9-3-1-7-18(20)21)25-11-5-6-12-28-13-15-29(16-14-28)23-19-8-2-4-10-22(19)31-27-23/h1-4,7-10,17,26H,5-6,11-16H2,(H,25,30)
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.80n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serotonin 5-hydroxytryptamine 1A receptor from mice.


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50054702
PNG
(3-Amino-benzo[b]thiophene-2-carboxylic acid [4-(4-...)
Show SMILES Nc1c(sc2ccccc12)C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C24H27N5OS2/c25-21-17-7-1-3-9-19(17)31-22(21)24(30)26-11-5-6-12-28-13-15-29(16-14-28)23-18-8-2-4-10-20(18)32-27-23/h1-4,7-10H,5-6,11-16,25H2,(H,26,30)
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.80n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse Dopamine receptor D2


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Mus musculus (Mouse))
BDBM50054702
PNG
(3-Amino-benzo[b]thiophene-2-carboxylic acid [4-(4-...)
Show SMILES Nc1c(sc2ccccc12)C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C24H27N5OS2/c25-21-17-7-1-3-9-19(17)31-22(21)24(30)26-11-5-6-12-28-13-15-29(16-14-28)23-18-8-2-4-10-20(18)32-27-23/h1-4,7-10H,5-6,11-16,25H2,(H,26,30)
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.80n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serotonin 5-hydroxytryptamine 1A receptor from mice.


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50054715
PNG
(4-Amino-thiophene-3-carboxylic acid [4-(4-benzo[d]...)
Show SMILES Nc1cscc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C20H25N5OS2/c21-17-14-27-13-16(17)20(26)22-7-3-4-8-24-9-11-25(12-10-24)19-15-5-1-2-6-18(15)28-23-19/h1-2,5-6,13-14H,3-4,7-12,21H2,(H,22,26)
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse Dopamine receptor D2


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Mus musculus (Mouse))
BDBM50054709
PNG
(CHEMBL141494 | N-[4-(4-Benzo[d]isothiazol-3-yl-pip...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1ccncc1
Show InChI InChI=1S/C21H25N5OS/c27-21(17-7-10-22-11-8-17)23-9-3-4-12-25-13-15-26(16-14-25)20-18-5-1-2-6-19(18)28-24-20/h1-2,5-8,10-11H,3-4,9,12-16H2,(H,23,27)
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.60n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serotonin 5-hydroxytryptamine 1A receptor from mice.


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Mus musculus (Mouse))
BDBM50054717
PNG
(3-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...)
Show SMILES Nc1cnccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H26N6OS/c22-18-15-23-9-7-16(18)21(28)24-8-3-4-10-26-11-13-27(14-12-26)20-17-5-1-2-6-19(17)29-25-20/h1-2,5-7,9,15H,3-4,8,10-14,22H2,(H,24,28)
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serotonin 5-hydroxytryptamine 1A receptor from mice.


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50054712
PNG
(3H-Benzoimidazole-4-carboxylic acid [4-(4-benzo[d]...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1cccc2nc[nH]c12
Show InChI InChI=1S/C23H26N6OS/c30-23(18-7-5-8-19-21(18)26-16-25-19)24-10-3-4-11-28-12-14-29(15-13-28)22-17-6-1-2-9-20(17)31-27-22/h1-2,5-9,16H,3-4,10-15H2,(H,24,30)(H,25,26)
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.60n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine receptor D2 from mice


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50054705
PNG
(2-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...)
Show SMILES Nc1ncccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H26N6OS/c22-19-17(7-5-10-23-19)21(28)24-9-3-4-11-26-12-14-27(15-13-26)20-16-6-1-2-8-18(16)29-25-20/h1-2,5-8,10H,3-4,9,11-15H2,(H2,22,23)(H,24,28)
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.80n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse Dopamine receptor D2


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50054718
PNG
(3-Amino-thiophene-2-carboxylic acid [4-(4-benzo[d]...)
Show SMILES Nc1ccsc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C20H25N5OS2/c21-16-7-14-27-18(16)20(26)22-8-3-4-9-24-10-12-25(13-11-24)19-15-5-1-2-6-17(15)28-23-19/h1-2,5-7,14H,3-4,8-13,21H2,(H,22,26)
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 9.60n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse Dopamine receptor D2


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50054713
PNG
(2-Amino-thiophene-3-carboxylic acid [4-(4-benzo[d]...)
Show SMILES Nc1sccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C20H25N5OS2/c21-18-16(7-14-27-18)20(26)22-8-3-4-9-24-10-12-25(13-11-24)19-15-5-1-2-6-17(15)28-23-19/h1-2,5-7,14H,3-4,8-13,21H2,(H,22,26)
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine receptor D2 from mice


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50054708
PNG
(1H-Indole-3-carboxylic acid [4-(4-benzo[d]isothiaz...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1c[nH]c2ccccc12
Show InChI InChI=1S/C24H27N5OS/c30-24(20-17-26-21-9-3-1-7-18(20)21)25-11-5-6-12-28-13-15-29(16-14-28)23-19-8-2-4-10-22(19)31-27-23/h1-4,7-10,17,26H,5-6,11-16H2,(H,25,30)
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine receptor D2 from mice


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50054703
PNG
(CHEMBL358268 | Quinoline-8-carboxylic acid [4-(4-b...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1cccc2cccnc12
Show InChI InChI=1S/C25H27N5OS/c31-25(21-10-5-7-19-8-6-13-26-23(19)21)27-12-3-4-14-29-15-17-30(18-16-29)24-20-9-1-2-11-22(20)32-28-24/h1-2,5-11,13H,3-4,12,14-18H2,(H,27,31)
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine receptor D2 from mice


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50054717
PNG
(3-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...)
Show SMILES Nc1cnccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H26N6OS/c22-18-15-23-9-7-16(18)21(28)24-8-3-4-10-26-11-13-27(14-12-26)20-17-5-1-2-6-19(17)29-25-20/h1-2,5-7,9,15H,3-4,8,10-14,22H2,(H,24,28)
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine receptor D2 from mice


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse Dopamine receptor D2


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50054707
PNG
(CHEMBL344994 | Pyridine-2-carboxylic acid [4-(4-be...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1ccccn1
Show InChI InChI=1S/C21H25N5OS/c27-21(18-8-3-4-10-22-18)23-11-5-6-12-25-13-15-26(16-14-25)20-17-7-1-2-9-19(17)28-24-20/h1-4,7-10H,5-6,11-16H2,(H,23,27)
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse Dopamine receptor D2


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50054714
PNG
(3-Amino-pyridine-2-carboxylic acid [4-(4-benzo[d]i...)
Show SMILES Nc1cccnc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H26N6OS/c22-17-7-5-10-23-19(17)21(28)24-9-3-4-11-26-12-14-27(15-13-26)20-16-6-1-2-8-18(16)29-25-20/h1-2,5-8,10H,3-4,9,11-15,22H2,(H,24,28)
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine receptor D2 from mice


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50054709
PNG
(CHEMBL141494 | N-[4-(4-Benzo[d]isothiazol-3-yl-pip...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1ccncc1
Show InChI InChI=1S/C21H25N5OS/c27-21(17-7-10-22-11-8-17)23-9-3-4-12-25-13-15-26(16-14-25)20-18-5-1-2-6-19(18)28-24-20/h1-2,5-8,10-11H,3-4,9,12-16H2,(H,23,27)
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine receptor D2 from mice


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50054706
PNG
(1H-Indole-7-carboxylic acid [4-(4-benzo[d]isothiaz...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1cccc2cc[nH]c12
Show InChI InChI=1S/C24H27N5OS/c30-24(20-8-5-6-18-10-12-25-22(18)20)26-11-3-4-13-28-14-16-29(17-15-28)23-19-7-1-2-9-21(19)31-27-23/h1-2,5-10,12,25H,3-4,11,13-17H2,(H,26,30)
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse Dopamine receptor D2


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50054710
PNG
(1,2,3,4-Tetrahydro-quinoline-8-carboxylic acid [4-...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1cccc2CCCNc12
Show InChI InChI=1S/C25H31N5OS/c31-25(21-10-5-7-19-8-6-13-26-23(19)21)27-12-3-4-14-29-15-17-30(18-16-29)24-20-9-1-2-11-22(20)32-28-24/h1-2,5,7,9-11,26H,3-4,6,8,12-18H2,(H,27,31)
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse Dopamine receptor D2


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50054704
PNG
(2,3-Dihydro-1H-indole-7-carboxylic acid [4-(4-benz...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1cccc2CCNc12
Show InChI InChI=1S/C24H29N5OS/c30-24(20-8-5-6-18-10-12-25-22(18)20)26-11-3-4-13-28-14-16-29(17-15-28)23-19-7-1-2-9-21(19)31-27-23/h1-2,5-9,25H,3-4,10-17H2,(H,26,30)
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse Dopamine receptor D2


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50054719
PNG
(CHEMBL356498 | N-[4-(4-Benzo[d]isothiazol-3-yl-pip...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1cccnc1
Show InChI InChI=1S/C21H25N5OS/c27-21(17-6-5-9-22-16-17)23-10-3-4-11-25-12-14-26(15-13-25)20-18-7-1-2-8-19(18)28-24-20/h1-2,5-9,16H,3-4,10-15H2,(H,23,27)
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 47n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse Dopamine receptor D2


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12
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

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 290n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse Dopamine receptor D2


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Mus musculus (Mouse))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 430n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serotonin 5-hydroxytryptamine 1A receptor from mice.


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Mus musculus (Mouse))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12
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

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serotonin 5-hydroxytryptamine 1A receptor from mice.


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair