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BDBM50099635 2-Phenyl-3-piperazin-1-ylmethyl-quinoline-4-carboxylic acid (1-cyclohexyl-ethyl)-amide::CHEMBL47412

SMILES: C[C@H](NC(=O)c1c(CN2CCNCC2)c(nc2ccccc12)-c1ccccc1)C1CCCCC1

InChI Key: InChIKey=SUCQKPUTZDUCKO-NRFANRHFSA-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 = 50099635   
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
Substance-K receptor


(Homo sapiens (Human))
BDBM50099635
PNG
(2-Phenyl-3-piperazin-1-ylmethyl-quinoline-4-carbox...)
Show SMILES C[C@H](NC(=O)c1c(CN2CCNCC2)c(nc2ccccc12)-c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C29H36N4O/c1-21(22-10-4-2-5-11-22)31-29(34)27-24-14-8-9-15-26(24)32-28(23-12-6-3-7-13-23)25(27)20-33-18-16-30-17-19-33/h3,6-9,12-15,21-22,30H,2,4-5,10-11,16-20H2,1H3,(H,31,34)/t21-/m0/s1
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PC sid
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2.40n/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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50099635
PNG
(2-Phenyl-3-piperazin-1-ylmethyl-quinoline-4-carbox...)
Show SMILES C[C@H](NC(=O)c1c(CN2CCNCC2)c(nc2ccccc12)-c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C29H36N4O/c1-21(22-10-4-2-5-11-22)31-29(34)27-24-14-8-9-15-26(24)32-28(23-12-6-3-7-13-23)25(27)20-33-18-16-30-17-19-33/h3,6-9,12-15,21-22,30H,2,4-5,10-11,16-20H2,1H3,(H,31,34)/t21-/m0/s1
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3.40n/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
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50099635
PNG
(2-Phenyl-3-piperazin-1-ylmethyl-quinoline-4-carbox...)
Show SMILES C[C@H](NC(=O)c1c(CN2CCNCC2)c(nc2ccccc12)-c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C29H36N4O/c1-21(22-10-4-2-5-11-22)31-29(34)27-24-14-8-9-15-26(24)32-28(23-12-6-3-7-13-23)25(27)20-33-18-16-30-17-19-33/h3,6-9,12-15,21-22,30H,2,4-5,10-11,16-20H2,1H3,(H,31,34)/t21-/m0/s1
PDB

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172n/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