BDBM96919 (2S)-2-[[5-[(2-benzoxy-2-keto-ethyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]-4-methyl-valeric acid benzyl ester::(2S)-4-methyl-2-[[oxo-[5-[oxo-[(2-oxo-2-phenylmethoxyethyl)amino]methyl]-1H-imidazol-4-yl]methyl]amino]pentanoic acid (phenylmethyl) ester::(phenylmethyl) (2S)-4-methyl-2-[[5-[(2-oxidanylidene-2-phenylmethoxy-ethyl)carbamoyl]-1H-imidazol-4-yl]carbonylamino]pentanoate::ILP-III-40::MLS000849543::SMR000642025::benzyl (2S)-4-methyl-2-[[5-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]pentanoate::cid_24789280
SMILES: CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)NCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1
InChI Key: InChIKey=KRLKAHWTOUBUEI-NRFANRHFSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
trace amine-associated receptor 1 (Homo sapiens (Human)) | BDBM96919 ((2S)-2-[[5-[(2-benzoxy-2-keto-ethyl)carbamoyl]-1H-...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | >2.99E+4 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q20G3HS3 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
trace amine-associated receptor 1 (Homo sapiens (Human)) | BDBM96919 ((2S)-2-[[5-[(2-benzoxy-2-keto-ethyl)carbamoyl]-1H-...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 4.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2BR8QSB | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
G-protein subunit alpha-16 (Homo sapiens (Human)) | BDBM96919 ((2S)-2-[[5-[(2-benzoxy-2-keto-ethyl)carbamoyl]-1H-...) | UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | >2.99E+4 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2M61HV2 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
G-protein subunit alpha-16 (Homo sapiens (Human)) | BDBM96919 ((2S)-2-[[5-[(2-benzoxy-2-keto-ethyl)carbamoyl]-1H-...) | UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >2.99E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2VQ3196 | ||||||||||||
More data for this Ligand-Target Pair |