BDBM50290302 1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl}-2,3,5,6-tetrahydro-1H-[4,4']bipyridinyl-4-carboxylic acid amide; hydrochloride::CHEMBL553554
SMILES: COc1cc(cc(OC)c1OC)C(=O)N1CC[C@@](CCN2CCC(CC2)(C(N)=O)c2ccncc2)(C1)c1ccc(Cl)c(Cl)c1
InChI Key: InChIKey=PINXYVGXMYFCOO-YTTGMZPUSA-N
Data: 2 IC50
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 2 receptor (Mus musculus) | BDBM50290302 (1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimeth...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding affinity for NK2 receptor in HSKR-1 cells was determined by using [125 I ]-Iodohistidyl NKA. | Bioorg Med Chem Lett 7: 2531-2536 (1997) Article DOI: 10.1016/S0960-894X(97)10013-0 BindingDB Entry DOI: 10.7270/Q2154H1T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 1 receptor (GUINEA PIG) | BDBM50290302 (1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimeth...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding affinity for NK1 receptor in guinea pig lung was determined by using [125 I]-Bolton Hunter labeled SP | Bioorg Med Chem Lett 7: 2531-2536 (1997) Article DOI: 10.1016/S0960-894X(97)10013-0 BindingDB Entry DOI: 10.7270/Q2154H1T | |||||||||||
More data for this Ligand-Target Pair |