BDBM50290462 CHEMBL305119::potassium 2N-[1-benzyl(methyl)carbamoyl-2-(2-naphthyl)-(1S)-ethyl]-4-hydroxy-1-{1-[4-(1H-1,2,3,4-tetraazol-5-yl)butyl]-1H-3-indolylcarbonyl}-(2R,4S)-tetrahydro-1H-2-pyrrolecarboxamide
SMILES: CN(Cc1ccccc1)C(=O)C(Cc1ccc2ccccc2c1)NC(=O)C1CC(O)CN1C(=O)c1cn(CCCCc2nn[n-]n2)c2ccccc12
InChI Key: InChIKey=UGMIRFUUVLTOEI-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)) | BDBM50290462 (CHEMBL305119 | potassium 2N-[1-benzyl(methyl)carba...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 1.5 | 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-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 3 receptor (Rattus norvegicus) | BDBM50290462 (CHEMBL305119 | potassium 2N-[1-benzyl(methyl)carba...) | MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 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 2 receptor (Oryctolagus cuniculus) | BDBM50290462 (CHEMBL305119 | potassium 2N-[1-benzyl(methyl)carba...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 5.60 | 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 1 receptor (Homo sapiens (Human)) | BDBM50290462 (CHEMBL305119 | potassium 2N-[1-benzyl(methyl)carba...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 9.60 | 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-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 2 receptor (Homo sapiens (Human)) | BDBM50290462 (CHEMBL305119 | potassium 2N-[1-benzyl(methyl)carba...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 2.40E+3 | 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-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 |