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BDBM50099636 2-Phenyl-3-piperidin-1-ylmethyl-quinoline-4-carboxylic acid (1-phenyl-propyl)-amide::CHEMBL47275

SMILES: CC[C@H](NC(=O)c1c(CN2CCCCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1

InChI Key: InChIKey=MHEYENUCWKQKPB-MHZLTWQESA-N

Data: 3 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50099636   
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))
BDBM50099636
PNG
(2-Phenyl-3-piperidin-1-ylmethyl-quinoline-4-carbox...)
Show SMILES CC[C@H](NC(=O)c1c(CN2CCCCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H33N3O/c1-2-27(23-14-6-3-7-15-23)33-31(35)29-25-18-10-11-19-28(25)32-30(24-16-8-4-9-17-24)26(29)22-34-20-12-5-13-21-34/h3-4,6-11,14-19,27H,2,5,12-13,20-22H2,1H3,(H,33,35)/t27-/m0/s1
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PC cid
PC sid
UniChem

Similars

PubMed
7n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes


J Med Chem 44: 1675-89 (2001)


BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50099636
PNG
(2-Phenyl-3-piperidin-1-ylmethyl-quinoline-4-carbox...)
Show SMILES CC[C@H](NC(=O)c1c(CN2CCCCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H33N3O/c1-2-27(23-14-6-3-7-15-23)33-31(35)29-25-18-10-11-19-28(25)32-30(24-16-8-4-9-17-24)26(29)22-34-20-12-5-13-21-34/h3-4,6-11,14-19,27H,2,5,12-13,20-22H2,1H3,(H,33,35)/t27-/m0/s1
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PC sid
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PubMed
276n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125 I]-NKA binding to tachykinin receptor 2 in CHO membranes


J Med Chem 44: 1675-89 (2001)


BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50099636
PNG
(2-Phenyl-3-piperidin-1-ylmethyl-quinoline-4-carbox...)
Show SMILES CC[C@H](NC(=O)c1c(CN2CCCCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H33N3O/c1-2-27(23-14-6-3-7-15-23)33-31(35)29-25-18-10-11-19-28(25)32-30(24-16-8-4-9-17-24)26(29)22-34-20-12-5-13-21-34/h3-4,6-11,14-19,27H,2,5,12-13,20-22H2,1H3,(H,33,35)/t27-/m0/s1
PDB

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PubMed
>2.50E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards human mu-opioid receptors in CHO (Chinese hamster ovary) cell lines


J Med Chem 44: 1675-89 (2001)


BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair