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BDBM50083349 6-[4-(3,4-Dimethyl-phenyl)-piperidin-1-ylmethyl]-4H-benzo[1,4]oxazin-3-one::CHEMBL149596

SMILES: Cc1ccc(cc1C)C1CCN(Cc2ccc3OCC(=O)Nc3c2)CC1

InChI Key: InChIKey=UROZVASCLWFZOW-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50083349   
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(4) dopamine receptor


(Homo sapiens (Human))
BDBM50083349
PNG
(6-[4-(3,4-Dimethyl-phenyl)-piperidin-1-ylmethyl]-4...)
Show SMILES Cc1ccc(cc1C)C1CCN(Cc2ccc3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C22H26N2O2/c1-15-3-5-19(11-16(15)2)18-7-9-24(10-8-18)13-17-4-6-21-20(12-17)23-22(25)14-26-21/h3-6,11-12,18H,7-10,13-14H2,1-2H3,(H,23,25)
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PC sid
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PubMed
1.80n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D4 in CHO cells by radioligand displacement.


J Med Chem 42: 5181-7 (2000)


BindingDB Entry DOI: 10.7270/Q23T9HZ0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50083349
PNG
(6-[4-(3,4-Dimethyl-phenyl)-piperidin-1-ylmethyl]-4...)
Show SMILES Cc1ccc(cc1C)C1CCN(Cc2ccc3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C22H26N2O2/c1-15-3-5-19(11-16(15)2)18-7-9-24(10-8-18)13-17-4-6-21-20(12-17)23-22(25)14-26-21/h3-6,11-12,18H,7-10,13-14H2,1-2H3,(H,23,25)
PDB

Reactome pathway
KEGG

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UniProtKB/TrEMBL

DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
572n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D2 in CHO cells by radioligand displacement.


J Med Chem 42: 5181-7 (2000)


BindingDB Entry DOI: 10.7270/Q23T9HZ0
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50083349
PNG
(6-[4-(3,4-Dimethyl-phenyl)-piperidin-1-ylmethyl]-4...)
Show SMILES Cc1ccc(cc1C)C1CCN(Cc2ccc3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C22H26N2O2/c1-15-3-5-19(11-16(15)2)18-7-9-24(10-8-18)13-17-4-6-21-20(12-17)23-22(25)14-26-21/h3-6,11-12,18H,7-10,13-14H2,1-2H3,(H,23,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
>3.03E+3n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D3 in CHO cells by radioligand displacement.


J Med Chem 42: 5181-7 (2000)


BindingDB Entry DOI: 10.7270/Q23T9HZ0
More data for this
Ligand-Target Pair