BDBM50116743 3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-(4-{3-[(2-methoxy-ethylcarbamoyl)-methyl]-2-oxo-2,3-dihydro-benzoimidazol-1-yl}-piperidin-1-yl)-2-[(Z)-methoxyimino]-pentyl}-N-ethyl-benzamide::CHEMBL75478
SMILES: CCN(C\C(=N/OC)[C@H](CCN1CCC(CC1)n1c2ccccc2n(CC(=O)NCCOC)c1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1
InChI Key: InChIKey=AXBSORLKLUGMEI-OUADDPIDSA-N
Data: 6 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Substance-P receptor (Homo sapiens (Human)) | BDBM50116743 (3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-(4-{...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute Curated by ChEMBL | Assay Description Binding affinity against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as radioligand | Bioorg Med Chem Lett 12: 2355-8 (2002) BindingDB Entry DOI: 10.7270/Q26T0KXW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Substance-P receptor (Homo sapiens (Human)) | BDBM50116743 (3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-(4-{...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Displacement of [3H]Sar SP from human NK1 receptor expressed in CHO cells membranes | J Med Chem 62: 8881-8914 (2019) Article DOI: 10.1021/acs.jmedchem.9b00017 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Substance-K receptor (Homo sapiens (Human)) | BDBM50116743 (3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-(4-{...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute Curated by ChEMBL | Assay Description Binding affinity against recombinant human tachykinin receptor 2 in CHO cells using [3H]-NKA as radioligand | Bioorg Med Chem Lett 12: 2355-8 (2002) BindingDB Entry DOI: 10.7270/Q26T0KXW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Substance-K receptor (Homo sapiens (Human)) | BDBM50116743 (3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-(4-{...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Displacement of [3H]NKA from human NK2 receptor expressed in CHO cells membranes | J Med Chem 62: 8881-8914 (2019) Article DOI: 10.1021/acs.jmedchem.9b00017 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuromedin-K receptor (Homo sapiens (Human)) | BDBM50116743 (3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-(4-{...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 945 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Displacement of [125I][MePhe]NKB from human NK3 receptor expressed in CHO cells membranes | J Med Chem 62: 8881-8914 (2019) Article DOI: 10.1021/acs.jmedchem.9b00017 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuromedin-K receptor (Homo sapiens (Human)) | BDBM50116743 (3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-(4-{...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 945 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute Curated by ChEMBL | Assay Description Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand | Bioorg Med Chem Lett 12: 2355-8 (2002) BindingDB Entry DOI: 10.7270/Q26T0KXW | |||||||||||
More data for this Ligand-Target Pair |