BDBM50138823 3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)-2-(3,4-dichloro-phenyl)-4-{4-[2-((S)-methanesulfinyl)-phenyl]-piperidin-1-yl}-butyl)-methyl-amide::CHEMBL149326
SMILES: CCc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C#N
InChI Key: InChIKey=NSRJRZGIVAVYNI-UDKJZQBVSA-N
Data: 11 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)) | BDBM50138823 (3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals LP Curated by ChEMBL | Assay Description In vitro binding affinity towards human Tachykinin receptor 1 was determined by using [3H]-SP as a radioligand | J Med Chem 47: 519-29 (2004) Article DOI: 10.1021/jm030197g BindingDB Entry DOI: 10.7270/Q2FJ2G6D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 1 receptor (Homo sapiens (Human)) | BDBM50138823 (3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals LP Curated by ChEMBL | Assay Description In vitro binding affinity towards human Tachykinin receptor 1 was determined by using [3H]-SP as a radioligand | J Med Chem 47: 519-29 (2004) Article DOI: 10.1021/jm030197g BindingDB Entry DOI: 10.7270/Q2FJ2G6D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 1 receptor (Homo sapiens (Human)) | BDBM50138823 (3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.71 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals LP Curated by ChEMBL | Assay Description In vitro binding affinity towards human Tachykinin receptor 1 was determined by using [3H]-SP as a radioligand | J Med Chem 47: 519-29 (2004) Article DOI: 10.1021/jm030197g BindingDB Entry DOI: 10.7270/Q2FJ2G6D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 1 receptor (Homo sapiens (Human)) | BDBM50138823 (3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.94 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals LP Curated by ChEMBL | Assay Description In vitro binding affinity towards human Tachykinin receptor 1 was determined by using [3H]-SP as a radioligand | J Med Chem 47: 519-29 (2004) Article DOI: 10.1021/jm030197g BindingDB Entry DOI: 10.7270/Q2FJ2G6D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 1 receptor (Homo sapiens (Human)) | BDBM50138823 (3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 6.94 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals LP Curated by ChEMBL | Assay Description In vitro binding affinity towards human Tachykinin receptor 1 was determined by using [3H]-SP as a radioligand | J Med Chem 47: 519-29 (2004) Article DOI: 10.1021/jm030197g BindingDB Entry DOI: 10.7270/Q2FJ2G6D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 2 receptor (Homo sapiens (Human)) | BDBM50138823 (3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals LP Curated by ChEMBL | Assay Description In vitro binding affinity towards human Tachykinin receptor 2 was determined by using [125I]-NKA as a radioligand | J Med Chem 47: 519-29 (2004) Article DOI: 10.1021/jm030197g BindingDB Entry DOI: 10.7270/Q2FJ2G6D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 2 receptor (Homo sapiens (Human)) | BDBM50138823 (3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals LP Curated by ChEMBL | Assay Description In vitro binding affinity towards human Tachykinin receptor 2 was determined by using [125I]-NKA as a radioligand | J Med Chem 47: 519-29 (2004) Article DOI: 10.1021/jm030197g BindingDB Entry DOI: 10.7270/Q2FJ2G6D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 2 receptor (Homo sapiens (Human)) | BDBM50138823 (3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals LP Curated by ChEMBL | Assay Description In vitro binding affinity towards human Tachykinin receptor 2 was determined by using [125I]-NKA as a radioligand | J Med Chem 47: 519-29 (2004) Article DOI: 10.1021/jm030197g BindingDB Entry DOI: 10.7270/Q2FJ2G6D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 2 receptor (Homo sapiens (Human)) | BDBM50138823 (3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article 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 In vitro binding affinity towards human Tachykinin receptor 2 was determined by using [125I]-NKA as a radioligand | J Med Chem 47: 519-29 (2004) Article DOI: 10.1021/jm030197g BindingDB Entry DOI: 10.7270/Q2FJ2G6D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 2 receptor (Homo sapiens (Human)) | BDBM50138823 (3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals LP Curated by ChEMBL | Assay Description In vitro binding affinity towards human Tachykinin receptor 2 was determined by using [125I]-NKA as a radioligand | J Med Chem 47: 519-29 (2004) Article DOI: 10.1021/jm030197g BindingDB Entry DOI: 10.7270/Q2FJ2G6D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuromedin-K receptor (Homo sapiens (Human)) | BDBM50138823 (3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 97 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals LP Curated by ChEMBL | Assay Description In vitro binding affinity towards human Tachykinin receptor 3 was determined by using [125I]-MePhe-NKB as a radioligand | J Med Chem 47: 519-29 (2004) Article DOI: 10.1021/jm030197g BindingDB Entry DOI: 10.7270/Q2FJ2G6D | |||||||||||
More data for this Ligand-Target Pair |