BDBM50290461 CHEMBL65468::potassium 3,5-di(trifluoromethyl)benzyl 2-[4-hydroxy-1-{1-[4-(1H-1,2,3,4-tetraazol-5-yl)butyl]-1H-3-indolylcarbonyl}-(2R,4S)-tetrahydro-1H-2-pyrrolylcarboxamido]-3-(1H-3-indolyl)-(2S)-propanoate
SMILES: OC1CC(N(C1)C(=O)c1cn(CCCCc2nn[n-]n2)c2ccccc12)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChI Key: InChIKey=BALUIQVSZLKYRA-UHFFFAOYSA-M
Data: 5 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)) | BDBM50290461 (CHEMBL65468 | potassium 3,5-di(trifluoromethyl)ben...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding affinity of the compound for NK-1 receptor was determined in vitro using isolated rabbit vena cava. | Bioorg Med Chem Lett 7: 203-208 (1997) Article DOI: 10.1016/S0960-894X(96)00604-X BindingDB Entry DOI: 10.7270/Q2VD6ZGN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 2 receptor (Oryctolagus cuniculus) | BDBM50290461 (CHEMBL65468 | potassium 3,5-di(trifluoromethyl)ben...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding affinity of the compound for NK-2 receptor was determined in vitro using isolated rabbit pulmonary artery. | Bioorg Med Chem Lett 7: 203-208 (1997) Article DOI: 10.1016/S0960-894X(96)00604-X BindingDB Entry DOI: 10.7270/Q2VD6ZGN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 3 receptor (Rattus norvegicus) | BDBM50290461 (CHEMBL65468 | potassium 3,5-di(trifluoromethyl)ben...) | MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding affinity of the compound for NK-3 receptor was determined in vitro using isolated rat portal vein. | Bioorg Med Chem Lett 7: 203-208 (1997) Article DOI: 10.1016/S0960-894X(96)00604-X BindingDB Entry DOI: 10.7270/Q2VD6ZGN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 1 receptor (Homo sapiens (Human)) | BDBM50290461 (CHEMBL65468 | potassium 3,5-di(trifluoromethyl)ben...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article | 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Antagonistic potency for NK-1 receptor was determined in a radioligand binding assay, using IM9 human lymphoblastoma cell line. | Bioorg Med Chem Lett 7: 203-208 (1997) Article DOI: 10.1016/S0960-894X(96)00604-X BindingDB Entry DOI: 10.7270/Q2VD6ZGN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 2 receptor (Homo sapiens (Human)) | BDBM50290461 (CHEMBL65468 | potassium 3,5-di(trifluoromethyl)ben...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding affinity of the compound for NK-2 receptor was determined in vitro using isolated rabbit pulmonary artery. | Bioorg Med Chem Lett 7: 203-208 (1997) Article DOI: 10.1016/S0960-894X(96)00604-X BindingDB Entry DOI: 10.7270/Q2VD6ZGN | |||||||||||
More data for this Ligand-Target Pair |