BDBM50329162 (3R,4S)-3-(2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethylpropanamido)-4-(4-fluorophenyl)-N,N-bis(2-hydroxyethyl)pyrrolidine-1-carboxamide::CHEMBL1269638
SMILES: CN([C@H]1CN(C[C@@H]1c1ccc(F)cc1)C(=O)N(CCO)CCO)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChI Key: InChIKey=HVUWPNYSILBPFH-PKTZIBPZSA-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)) | BDBM50329162 ((3R,4S)-3-(2-(3,5-bis(trifluoromethyl)phenyl)-N,2-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.10 | 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)) | BDBM50329162 ((3R,4S)-3-(2-(3,5-bis(trifluoromethyl)phenyl)-N,2-...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 192 | 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 |