BDBM50118100 3-Cyano-2-methoxy-naphthalene-1-carboxylic acid ((S)-2-(3,4-dichloro-phenyl)-4-{4-[2-((S)-methanesulfinyl)-phenyl]-piperidin-1-yl}-butyl)-methyl-amide::3-Cyano-2-methoxy-naphthalene-1-carboxylic acid {2-(3,4-dichloro-phenyl)-4-[4-(2-methanesulfinyl-phenyl)-piperidin-1-yl]-butyl}-methyl-amide::CHEMBL129321
SMILES: COc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C#N
InChI Key: InChIKey=OMMDNOFGZYPJCA-GCDXOJGYSA-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)) | BDBM50118100 (3-Cyano-2-methoxy-naphthalene-1-carboxylic acid ((...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.170 | 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 | |||||||||||||
Neurokinin 2 receptor (Homo sapiens (Human)) | BDBM50118100 (3-Cyano-2-methoxy-naphthalene-1-carboxylic acid ((...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 67 | 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 | |||||||||||||
Neuromedin-K receptor (Homo sapiens (Human)) | BDBM50118100 (3-Cyano-2-methoxy-naphthalene-1-carboxylic acid ((...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 220 | 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 |