BDBM50089567 CHEMBL35857::N-[(E)-1-(4-Chloro-benzyl)-3-(2-oxo-azepan-3-ylcarbamoyl)-allyl]-N-methyl-3,5-bis-trifluoromethyl-benzamide
SMILES: CN(C(Cc1ccc(Cl)cc1)\C=C\C(=O)NC1CCCCNC1=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChI Key: InChIKey=ATMHFQDWDFHUDF-MDZDMXLPSA-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 (Homo sapiens (Human)) | BDBM50089567 (CHEMBL35857 | N-[(E)-1-(4-Chloro-benzyl)-3-(2-oxo-...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG Curated by ChEMBL | Assay Description In vitro inhibition of [125I]-NKA binding to transfected Chinese hamster ovary cells (CHO cells) expressing recombinant human Tachykinin receptor 2 | Bioorg Med Chem Lett 10: 1467-70 (2000) BindingDB Entry DOI: 10.7270/Q2M907X9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 1 receptor (Homo sapiens (Human)) | BDBM50089567 (CHEMBL35857 | N-[(E)-1-(4-Chloro-benzyl)-3-(2-oxo-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.760 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG Curated by ChEMBL | Assay Description In vitro inhibition of [3H]-Sar9-substance P binding to Tachykinin receptor 1 in bovine retinal membranes | Bioorg Med Chem Lett 10: 1467-70 (2000) BindingDB Entry DOI: 10.7270/Q2M907X9 | |||||||||||
More data for this Ligand-Target Pair |