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BDBM50199561 8-[(3-dimethylamino-propyl)-methyl-amino]-6-methoxy-4-oxo-1,4-dihydroquinoline-2-carboxylic acid(4-morpholin-4-yl-phenyl)amide::CHEMBL224738

SMILES: COc1cc(N(C)CCCN(C)C)c2nc(cc(O)c2c1)C(=O)Nc1ccc(cc1)N1CCOCC1

InChI Key: InChIKey=HBCWMRWOZSFMJR-UHFFFAOYSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50199561   
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
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50199561
PNG
(8-[(3-dimethylamino-propyl)-methyl-amino]-6-methox...)
Show SMILES COc1cc(N(C)CCCN(C)C)c2nc(cc(O)c2c1)C(=O)Nc1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C27H35N5O4/c1-30(2)10-5-11-31(3)24-17-21(35-4)16-22-25(33)18-23(29-26(22)24)27(34)28-19-6-8-20(9-7-19)32-12-14-36-15-13-32/h6-9,16-18H,5,10-15H2,1-4H3,(H,28,34)(H,29,33)
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Similars

Article
PubMed
292n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Displacement of [3H]GR125743 from 5HT1B receptor transfected in CHO cells


Bioorg Med Chem 15: 939-50 (2006)


Article DOI: 10.1016/j.bmc.2006.10.037
BindingDB Entry DOI: 10.7270/Q2445M3X
More data for this
Ligand-Target Pair