BDBM50299468 2-(3,4-dichlorophenyl)-N-(4-fluoro-3-trifluoromethylbenzyl)-2,N-dimethyl-4-[4-(2-oxo-pyrrolidin-1-yl)-piperidin-1-yl]-butyramide::CHEMBL565894
SMILES: CN(Cc1ccc(F)c(c1)C(F)(F)F)C(=O)C(C)(CCN1CCC(CC1)N1CCCC1=O)c1ccc(Cl)c(Cl)c1
InChI Key: InChIKey=XNEWLEJBYAVWCK-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Neuromedin-K receptor (Homo sapiens (Human)) | BDBM50299468 (2-(3,4-dichlorophenyl)-N-(4-fluoro-3-trifluorometh...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd. Curated by ChEMBL | Assay Description Displacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cells | J Med Chem 52: 7103-12 (2009) Article DOI: 10.1021/jm900948q BindingDB Entry DOI: 10.7270/Q21G0MBP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
TACR3 (GUINEA PIG) | BDBM50299468 (2-(3,4-dichlorophenyl)-N-(4-fluoro-3-trifluorometh...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd. Curated by ChEMBL | Assay Description Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cells | J Med Chem 52: 7103-12 (2009) Article DOI: 10.1021/jm900948q BindingDB Entry DOI: 10.7270/Q21G0MBP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
TACR3 (GUINEA PIG) | BDBM50299468 (2-(3,4-dichlorophenyl)-N-(4-fluoro-3-trifluorometh...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd. Curated by ChEMBL | Assay Description Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cells | J Med Chem 52: 7103-12 (2009) Article DOI: 10.1021/jm900948q BindingDB Entry DOI: 10.7270/Q21G0MBP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 2 receptor (Homo sapiens (Human)) | BDBM50299468 (2-(3,4-dichlorophenyl)-N-(4-fluoro-3-trifluorometh...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 109 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd. Curated by ChEMBL | Assay Description Displacement of [3H]SR48968 from human recombinant NK2 receptor expressed in HEK293 cells | J Med Chem 52: 7103-12 (2009) Article DOI: 10.1021/jm900948q BindingDB Entry DOI: 10.7270/Q21G0MBP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 1 receptor (Homo sapiens (Human)) | BDBM50299468 (2-(3,4-dichlorophenyl)-N-(4-fluoro-3-trifluorometh...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 182 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd. Curated by ChEMBL | Assay Description Displacement of [3H]substance P from human recombinant NK1 receptor expressed in HEK293 cells | J Med Chem 52: 7103-12 (2009) Article DOI: 10.1021/jm900948q BindingDB Entry DOI: 10.7270/Q21G0MBP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
TACR3 (GUINEA PIG) | BDBM50299468 (2-(3,4-dichlorophenyl)-N-(4-fluoro-3-trifluorometh...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 11.0 | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd. Curated by ChEMBL | Assay Description Antagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced acc... | J Med Chem 52: 7103-12 (2009) Article DOI: 10.1021/jm900948q BindingDB Entry DOI: 10.7270/Q21G0MBP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuromedin-K receptor (Homo sapiens (Human)) | BDBM50299468 (2-(3,4-dichlorophenyl)-N-(4-fluoro-3-trifluorometh...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 8.91 | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd. Curated by ChEMBL | Assay Description Antagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inosi... | J Med Chem 52: 7103-12 (2009) Article DOI: 10.1021/jm900948q BindingDB Entry DOI: 10.7270/Q21G0MBP | |||||||||||
More data for this Ligand-Target Pair |