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BDBM50074802 3-Butyl-2-phenyl-quinoline-4-carboxylic acid (1-phenyl-propyl)-amide::CHEMBL415968

SMILES: CCCCc1c(nc2ccccc2c1C(=O)NC(CC)c1ccccc1)-c1ccccc1

InChI Key: InChIKey=RBDFPECNPXDUQF-UHFFFAOYSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50074802   
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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50074802
PNG
(3-Butyl-2-phenyl-quinoline-4-carboxylic acid (1-ph...)
Show SMILES CCCCc1c(nc2ccccc2c1C(=O)NC(CC)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C29H30N2O/c1-3-5-18-24-27(29(32)31-25(4-2)21-14-8-6-9-15-21)23-19-12-13-20-26(23)30-28(24)22-16-10-7-11-17-22/h6-17,19-20,25H,3-5,18H2,1-2H3,(H,31,32)
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15n/an/an/an/an/an/an/an/a



SmithKline Beecham S.p.A.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB


J Med Chem 42: 1053-65 (1999)


Article DOI: 10.1021/jm980633c
BindingDB Entry DOI: 10.7270/Q2F47PTQ
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50074802
PNG
(3-Butyl-2-phenyl-quinoline-4-carboxylic acid (1-ph...)
Show SMILES CCCCc1c(nc2ccccc2c1C(=O)NC(CC)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C29H30N2O/c1-3-5-18-24-27(29(32)31-25(4-2)21-14-8-6-9-15-21)23-19-12-13-20-26(23)30-28(24)22-16-10-7-11-17-22/h6-17,19-20,25H,3-5,18H2,1-2H3,(H,31,32)
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15.8n/an/an/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting


J Med Chem 53: 8080-8 (2010)


Article DOI: 10.1021/jm1010012
BindingDB Entry DOI: 10.7270/Q2736R5F
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50074802
PNG
(3-Butyl-2-phenyl-quinoline-4-carboxylic acid (1-ph...)
Show SMILES CCCCc1c(nc2ccccc2c1C(=O)NC(CC)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C29H30N2O/c1-3-5-18-24-27(29(32)31-25(4-2)21-14-8-6-9-15-21)23-19-12-13-20-26(23)30-28(24)22-16-10-7-11-17-22/h6-17,19-20,25H,3-5,18H2,1-2H3,(H,31,32)
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CHEMBL
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UniChem

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Article
PubMed
15.8n/an/an/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Binding affinity to human NK3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 7405-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.014
BindingDB Entry DOI: 10.7270/Q2CC11Z5
More data for this
Ligand-Target Pair