BDBM50118099 1'-[4-[(3-Cyano-2-methoxy-naphthalene-1-carbonyl)-methyl-amino]-3-(3,4-dichloro-phenyl)-butyl]-2-oxo-[1,4']bipiperidinyl-4'-carboxylic acid methylamide::CHEMBL339051
SMILES: CNC(=O)C1(CCN(CC[C@H](CN(C)C(=O)c2c(OC)c(cc3ccccc23)C#N)c2ccc(Cl)c(Cl)c2)CC1)N1CCCCC1=O
InChI Key: InChIKey=OJNYEFLQZAKWEW-AREMUKBSSA-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 1 receptor (Homo sapiens (Human)) | BDBM50118099 (1'-[4-[(3-Cyano-2-methoxy-naphthalene-1-carbonyl)-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | PubMed | 0.270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals LP Curated by ChEMBL | Assay Description Inhibition of binding of [3H]SP to Tachykinin receptor 1 of human tachykinin receptor expressed in mouse erythroleukemia cells | J Med Chem 45: 3972-83 (2002) BindingDB Entry DOI: 10.7270/Q2862H6T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuromedin-K receptor (Homo sapiens (Human)) | BDBM50118099 (1'-[4-[(3-Cyano-2-methoxy-naphthalene-1-carbonyl)-...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | PubMed | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals LP Curated by ChEMBL | Assay Description Inhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cells | J Med Chem 45: 3972-83 (2002) BindingDB Entry DOI: 10.7270/Q2862H6T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 2 receptor (Homo sapiens (Human)) | BDBM50118099 (1'-[4-[(3-Cyano-2-methoxy-naphthalene-1-carbonyl)-...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | PubMed | 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals LP Curated by ChEMBL | Assay Description Inhibition of binding of [3H]NKA to human Tachykinin receptor 2 (NK2) expressed in mouse erythroleukemia cells | J Med Chem 45: 3972-83 (2002) BindingDB Entry DOI: 10.7270/Q2862H6T | |||||||||||
More data for this Ligand-Target Pair |