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BDBM50020116 4-[4-(6'-Chloro-2,3,5,6-tetrahydro-[1,2']bipyrazinyl-4-yl)-butyl]-4-aza-tricyclo[5.4.2.0*2,6*]tridec-12-ene-3,5-dione;Hydrochloride::CHEMBL412258

SMILES: Clc1cncc(n1)N1CCN(CCCCN2C(=O)C3C(C4CCCCC3C=C4)C2=O)CC1

InChI Key: InChIKey=LTHUIJKIRBJVAY-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50020116   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50020116
PNG
(4-[4-(6'-Chloro-2,3,5,6-tetrahydro-[1,2']bipyrazin...)
Show SMILES Clc1cncc(n1)N1CCN(CCCCN2C(=O)C3C(C4CCCCC3C=C4)C2=O)CC1
Show InChI InChI=1S/C24H32ClN5O2/c25-19-15-26-16-20(27-19)29-13-11-28(12-14-29)9-3-4-10-30-23(31)21-17-5-1-2-6-18(8-7-17)22(21)24(30)32/h7-8,15-18,21-22H,1-6,9-14H2
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
122n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.


J Med Chem 31: 1382-92 (1988)


Article DOI: 10.1021/jm00402a023
BindingDB Entry DOI: 10.7270/Q2PC32Z4
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50020116
PNG
(4-[4-(6'-Chloro-2,3,5,6-tetrahydro-[1,2']bipyrazin...)
Show SMILES Clc1cncc(n1)N1CCN(CCCCN2C(=O)C3C(C4CCCCC3C=C4)C2=O)CC1
Show InChI InChI=1S/C24H32ClN5O2/c25-19-15-26-16-20(27-19)29-13-11-28(12-14-29)9-3-4-10-30-23(31)21-17-5-1-2-6-18(8-7-17)22(21)24(30)32/h7-8,15-18,21-22H,1-6,9-14H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
345n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]spiperone binding to Dopamine receptor D2 from rat brain limbic tissue


J Med Chem 31: 1382-92 (1988)


Article DOI: 10.1021/jm00402a023
BindingDB Entry DOI: 10.7270/Q2PC32Z4
More data for this
Ligand-Target Pair