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BDBM85048 CHEMBL537481::Glaxo 1192U90

SMILES: Nc1ccccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12

InChI Key: InChIKey=GMDXHLCLNHCEIC-UHFFFAOYSA-N

Data: 2 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 85048   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM85048
PNG
(CHEMBL537481 | Glaxo 1192U90)
Show SMILES Nc1ccccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C22H27N5OS/c23-19-9-3-1-7-17(19)22(28)24-11-5-6-12-26-13-15-27(16-14-26)21-18-8-2-4-10-20(18)29-25-21/h1-4,7-10H,5-6,11-16,23H2,(H,24,28)
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Article
PubMed
4n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Synapse 25: 137-46 (1997)


Article DOI: 10.1002/(SICI)1098-2396(199702)25:2
BindingDB Entry DOI: 10.7270/Q2WH2NH6
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM85048
PNG
(CHEMBL537481 | Glaxo 1192U90)
Show SMILES Nc1ccccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C22H27N5OS/c23-19-9-3-1-7-17(19)22(28)24-11-5-6-12-26-13-15-27(16-14-26)21-18-8-2-4-10-20(18)29-25-21/h1-4,7-10H,5-6,11-16,23H2,(H,24,28)
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Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]raclopride binding to dopamine receptor D2


J Med Chem 39: 1172-88 (1996)


Article DOI: 10.1021/jm950551d
BindingDB Entry DOI: 10.7270/Q2SQ912Q
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM85048
PNG
(CHEMBL537481 | Glaxo 1192U90)
Show SMILES Nc1ccccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C22H27N5OS/c23-19-9-3-1-7-17(19)22(28)24-11-5-6-12-26-13-15-27(16-14-26)21-18-8-2-4-10-20(18)29-25-21/h1-4,7-10H,5-6,11-16,23H2,(H,24,28)
KEGG

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

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



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor


J Med Chem 39: 1172-88 (1996)


Article DOI: 10.1021/jm950551d
BindingDB Entry DOI: 10.7270/Q2SQ912Q
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM85048
PNG
(CHEMBL537481 | Glaxo 1192U90)
Show SMILES Nc1ccccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C22H27N5OS/c23-19-9-3-1-7-17(19)22(28)24-11-5-6-12-26-13-15-27(16-14-26)21-18-8-2-4-10-20(18)29-25-21/h1-4,7-10H,5-6,11-16,23H2,(H,24,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
0.800n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Mol Psychiatry 3: 123-34 (1998)


BindingDB Entry DOI: 10.7270/Q2G15ZCQ
More data for this
Ligand-Target Pair