BDBM50403993 CHEMBL91418
SMILES: Cc1cc(C)cc(OCC(=O)N(C2CCNCC2)c2ccc(Cl)c(Cl)c2)c1
InChI Key: InChIKey=PNZBIKULWBRCFZ-UHFFFAOYSA-N
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 |
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Neurokinin 1 receptor (Homo sapiens (Human)) | BDBM50403993 (CHEMBL91418) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organon Laboratories Curated by ChEMBL | Assay Description Negative logarithm causing 50% receptor occupancy against tachykinin receptor 1 | J Med Chem 48: 6523-43 (2005) Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50403993 (CHEMBL91418) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organon Laboratories Curated by ChEMBL | Assay Description Negative logarithm causing 50% receptor occupancy against serotonin transporter | J Med Chem 48: 6523-43 (2005) Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 1 receptor (Homo sapiens (Human)) | BDBM50403993 (CHEMBL91418) | 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 | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma SA Curated by ChEMBL | Assay Description Binding affinity at human Tachykinin receptor 1 expressed in CHO cells by [3H]-substance P displacement. | Bioorg Med Chem Lett 12: 261-4 (2001) BindingDB Entry DOI: 10.7270/Q2V40WDW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Rattus norvegicus (rat)) | BDBM50403993 (CHEMBL91418) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma SA Curated by ChEMBL | Assay Description Binding affinity at serotonin transporter from rat cerebral cortex by [3H]-paroxetine displacement. | Bioorg Med Chem Lett 12: 261-4 (2001) BindingDB Entry DOI: 10.7270/Q2V40WDW | |||||||||||
More data for this Ligand-Target Pair |