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BDBM50097342 3-Chloro-4-[4-(3',6'-dihydro-2'H-[2,4']bipyridinyl-1'-yl)-butyl]-4H-benzo[f][1,4]oxazepin-5-one::CHEMBL345237

SMILES: ClC1=COc2ccccc2C(=O)N1CCCCN1CCC(=CC1)c1ccccn1

InChI Key: InChIKey=URMTUEWUIGOJBW-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50097342   
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))
BDBM50097342
PNG
(3-Chloro-4-[4-(3',6'-dihydro-2'H-[2,4']bipyridinyl...)
Show SMILES ClC1=COc2ccccc2C(=O)N1CCCCN1CCC(=CC1)c1ccccn1
Show InChI InChI=1S/C23H24ClN3O2/c24-22-17-29-21-9-2-1-7-19(21)23(28)27(22)14-6-5-13-26-15-10-18(11-16-26)20-8-3-4-12-25-20/h1-4,7-10,12,17H,5-6,11,13-16H2
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Similars

Article
PubMed
n/an/a 0.470n/an/an/an/an/an/a



Suntory Biomedical Research Limited

Curated by ChEMBL


Assay Description
Binding affinity of the compound to 5-hydroxytryptamine 1A receptor of rat hippocampus with [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 11: 595-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00008-7
BindingDB Entry DOI: 10.7270/Q2P26XDB
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50097342
PNG
(3-Chloro-4-[4-(3',6'-dihydro-2'H-[2,4']bipyridinyl...)
Show SMILES ClC1=COc2ccccc2C(=O)N1CCCCN1CCC(=CC1)c1ccccn1
Show InChI InChI=1S/C23H24ClN3O2/c24-22-17-29-21-9-2-1-7-19(21)23(28)27(22)14-6-5-13-26-15-10-18(11-16-26)20-8-3-4-12-25-20/h1-4,7-10,12,17H,5-6,11,13-16H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 84n/an/an/an/an/an/a



Suntory Biomedical Research Limited

Curated by ChEMBL


Assay Description
Binding affinity of the compound to Dopamine receptor D2 in of rat striatum membrane with [3H]- raclopride as radioligand


Bioorg Med Chem Lett 11: 595-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00008-7
BindingDB Entry DOI: 10.7270/Q2P26XDB
More data for this
Ligand-Target Pair