BDBM50329164 2-(3,5-bis(trifluoromethyl)phenyl)-N-((3R,4S)-4-(4-fluorophenyl)-1-(4-(methylsulfonyl)piperazine-1-carbonyl)pyrrolidin-3-yl)-N,2-dimethylpropanamide::CHEMBL1269640
SMILES: CN([C@H]1CN(C[C@@H]1c1ccc(F)cc1)C(=O)N1CCN(CC1)S(C)(=O)=O)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChI Key: InChIKey=KFKDZZIVWULHSW-RPWUZVMVSA-N
Data: 2 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)) | BDBM50329164 (2-(3,5-bis(trifluoromethyl)phenyl)-N-((3R,4S)-4-(4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.10 | 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 neurokinin NK1 receptor expressed in CHO cell | Bioorg Med Chem Lett 20: 6735-8 (2010) Article DOI: 10.1016/j.bmcl.2010.08.138 BindingDB Entry DOI: 10.7270/Q22Z15SN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuromedin-K receptor (Homo sapiens (Human)) | BDBM50329164 (2-(3,5-bis(trifluoromethyl)phenyl)-N-((3R,4S)-4-(4...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 165 | 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]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cells | Bioorg Med Chem Lett 20: 6735-8 (2010) Article DOI: 10.1016/j.bmcl.2010.08.138 BindingDB Entry DOI: 10.7270/Q22Z15SN | |||||||||||
More data for this Ligand-Target Pair |