BDBM21018 Bifunctional Peptide Ligand, 2 (TY007)::H-Tyr-D-Ala-Gly-Phe-D-Phe-Pro-Leu-Trp-O-3,5-Bzl(CF3)2::[3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-[(2S)-2-{[(2S)-1-[(2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]acetamido}-3-phenylpropanamido]-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]-3-(1H-indol-3-yl)propanoate
SMILES: CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChI Key: InChIKey=KNNCZVVJJSCZNH-WPIMGRBNSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Neurokinin 1 receptor (Rattus norvegicus (rat)) | BDBM21018 (Bifunctional Peptide Ligand, 2 (TY007) | H-Tyr-D-A...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 3 | -11.6 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
University of Arizona at Tucson | Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe... | J Med Chem 50: 2779-86 (2007) Article DOI: 10.1021/jm061369n BindingDB Entry DOI: 10.7270/Q2SF2TG6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM21018 (Bifunctional Peptide Ligand, 2 (TY007) | H-Tyr-D-A...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 93 | -9.59 | n/a | n/a | 17 | n/a | n/a | 7.4 | 25 |
University of Arizona at Tucson | Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe... | J Med Chem 50: 2779-86 (2007) Article DOI: 10.1021/jm061369n BindingDB Entry DOI: 10.7270/Q2SF2TG6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM21018 (Bifunctional Peptide Ligand, 2 (TY007) | H-Tyr-D-A...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 380 | -8.75 | n/a | n/a | 350 | n/a | n/a | 7.4 | 25 |
University of Arizona at Tucson | Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe... | J Med Chem 50: 2779-86 (2007) Article DOI: 10.1021/jm061369n BindingDB Entry DOI: 10.7270/Q2SF2TG6 | |||||||||||
More data for this Ligand-Target Pair |