BDBM50498576 CHEMBL3608937
SMILES: C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChI Key: InChIKey=GVRKQRSTDMXZGX-VAQUTSCRSA-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)) | BDBM50498576 (CHEMBL3608937) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Displacement of [3H]-substance P from human NK1 receptor transfected in CHO cells | Bioorg Med Chem Lett 25: 3716-20 (2015) Article DOI: 10.1016/j.bmcl.2015.06.030 BindingDB Entry DOI: 10.7270/Q2R78J7N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 1 receptor (Rattus norvegicus (rat)) | BDBM50498576 (CHEMBL3608937) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Displacement of [3H]-substance P from rat NK1 receptor transfected in CHO cells | Bioorg Med Chem Lett 25: 3716-20 (2015) Article DOI: 10.1016/j.bmcl.2015.06.030 BindingDB Entry DOI: 10.7270/Q2R78J7N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50498576 (CHEMBL3608937) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Displacement of [3H]-DAMGO from rat mu opioid receptor transfected in HN9.10 cells | Bioorg Med Chem Lett 25: 3716-20 (2015) Article DOI: 10.1016/j.bmcl.2015.06.030 BindingDB Entry DOI: 10.7270/Q2R78J7N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50498576 (CHEMBL3608937) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Displacement of [3H]-DPDPE from human delta opioid receptor transfected in HN9.10 cells | Bioorg Med Chem Lett 25: 3716-20 (2015) Article DOI: 10.1016/j.bmcl.2015.06.030 BindingDB Entry DOI: 10.7270/Q2R78J7N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50498576 (CHEMBL3608937) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction | Bioorg Med Chem Lett 25: 3716-20 (2015) Article DOI: 10.1016/j.bmcl.2015.06.030 BindingDB Entry DOI: 10.7270/Q2R78J7N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu and delta (MOUSE) | BDBM50498576 (CHEMBL3608937) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction | Bioorg Med Chem Lett 25: 3716-20 (2015) Article DOI: 10.1016/j.bmcl.2015.06.030 BindingDB Entry DOI: 10.7270/Q2R78J7N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50498576 (CHEMBL3608937) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 160 | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Agonist activity at human delta opioid receptor transfected in HN9.10 cells by [35S]GTPgammaS binding assay | Bioorg Med Chem Lett 25: 3716-20 (2015) Article DOI: 10.1016/j.bmcl.2015.06.030 BindingDB Entry DOI: 10.7270/Q2R78J7N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50498576 (CHEMBL3608937) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 59 | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Agonist activity at rat mu opioid receptor transfected in HN9.10 cells by [35S]GTPgammaS binding assay | Bioorg Med Chem Lett 25: 3716-20 (2015) Article DOI: 10.1016/j.bmcl.2015.06.030 BindingDB Entry DOI: 10.7270/Q2R78J7N | |||||||||||
More data for this Ligand-Target Pair |