BDBM50099637 3-(4-Isobutyryl-piperazin-1-ylmethyl)-2-phenyl-quinoline-4-carboxylic acid (1-cyclohexyl-ethyl)-amide::CHEMBL45961
SMILES: CC(C)C(=O)N1CCN(Cc2c(nc3ccccc3c2C(=O)N[C@@H](C)C2CCCCC2)-c2ccccc2)CC1
InChI Key: InChIKey=VVQLVPFUZGSGAS-DEOSSOPVSA-N
Data: 3 KI
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Neurokinin 2 receptor (Homo sapiens (Human)) | BDBM50099637 (3-(4-Isobutyryl-piperazin-1-ylmethyl)-2-phenyl-qui...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50099637 (3-(4-Isobutyryl-piperazin-1-ylmethyl)-2-phenyl-qui...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50099637 (3-(4-Isobutyryl-piperazin-1-ylmethyl)-2-phenyl-qui...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 |