BDBM50407161 CHEMBL2114443
SMILES: CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)[C@@H]1CCc2ccccc12)C(N)=O
InChI Key: InChIKey=NUMNASDCUREGFZ-VRWYXATPSA-N
Data: 3 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 1 receptor (Rattus norvegicus (rat)) | BDBM50407161 (CHEMBL2114443) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ P. et M. Curie Curated by ChEMBL | Assay Description Concentration required to inhibit the specific binding of [125I]BH-SP to Neurokinin-1 (NK-1) receptor in rat brain synaptosomes | J Med Chem 37: 1586-601 (1994) BindingDB Entry DOI: 10.7270/Q2571CN1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 2 receptor (Rattus norvegicus (Rat)) | BDBM50407161 (CHEMBL2114443) | Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ P. et M. Curie Curated by ChEMBL | Assay Description Concentration required to inhibit the specific binding of [125I]NKA to Neurokinin-2 (NK-2) receptor in rat duodenum membranes | J Med Chem 37: 1586-601 (1994) BindingDB Entry DOI: 10.7270/Q2571CN1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 3 receptor (Rattus norvegicus) | BDBM50407161 (CHEMBL2114443) | MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ P. et M. Curie Curated by ChEMBL | Assay Description Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes | J Med Chem 37: 1586-601 (1994) BindingDB Entry DOI: 10.7270/Q2571CN1 | |||||||||||
More data for this Ligand-Target Pair |