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BDBM50167871 3-Chloro-4-{4-[5-(4-methyl-pyrimidin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]-butyl}-4H-benzo[f][1,4]oxazepin-5-one; Compound with fumarate

SMILES: Cc1ccnc(n1)C1=CN(CCCCN2C(Cl)=COc3ccccc3C2=O)CCC1

InChI Key: InChIKey=WGTSFBXSLGJRRT-UHFFFAOYSA-N

Data: 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 2 hits for monomerid = 50167871   
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))
BDBM50167871
PNG
(3-Chloro-4-{4-[5-(4-methyl-pyrimidin-2-yl)-3,4-dih...)
Show SMILES Cc1ccnc(n1)C1=CN(CCCCN2C(Cl)=COc3ccccc3C2=O)CCC1
Show InChI InChI=1S/C23H25ClN4O2/c1-17-10-11-25-22(26-17)18-7-6-13-27(15-18)12-4-5-14-28-21(24)16-30-20-9-3-2-8-19(20)23(28)29/h2-3,8-11,15-16H,4-7,12-14H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.185n/an/an/an/an/an/a



Daiichi Suntory Biomedical Research Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against 5-hydroxytryptamine 1A receptor in rat hippocampus membrane using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 15: 2990-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.059
BindingDB Entry DOI: 10.7270/Q21Z456V
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50167871
PNG
(3-Chloro-4-{4-[5-(4-methyl-pyrimidin-2-yl)-3,4-dih...)
Show SMILES Cc1ccnc(n1)C1=CN(CCCCN2C(Cl)=COc3ccccc3C2=O)CCC1
Show InChI InChI=1S/C23H25ClN4O2/c1-17-10-11-25-22(26-17)18-7-6-13-27(15-18)12-4-5-14-28-21(24)16-30-20-9-3-2-8-19(20)23(28)29/h2-3,8-11,15-16H,4-7,12-14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 763n/an/an/an/an/an/a



Daiichi Suntory Biomedical Research Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Dopamine receptor D2 in rat striatum membrane using [3H]raclopride as radioligand


Bioorg Med Chem Lett 15: 2990-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.059
BindingDB Entry DOI: 10.7270/Q21Z456V
More data for this
Ligand-Target Pair