BDBM20242 4-[(2S)-2-{[(2S)-1-[(1R,2S,5S)-2-{[(1S)-1-(benzylcarbamoyl)-3-carbamoylpropyl]carbamoyl}-3-azabicyclo[3.1.0]hexan-3-yl]-4-methyl-1-oxopentan-2-yl]carbamoyl}-2-(3-phenylpropanamido)ethyl]phenoxyphosphonic acid::49, Dihydrocinnamoyl-pTyr-Leu-methanoPro-Gln-NHBn-1::50, Dihydrocinnamoyl-pTyr-Leu-methanoPro-Gln-NHBn-2
SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)CCc1ccccc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1
InChI Key: InChIKey=PMOPEUBCXAQQOA-YCQMHQQFSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Signal transducer and activator of transcription 3 (Mus musculus (mouse)) | BDBM20242 (4-[(2S)-2-{[(2S)-1-[(1R,2S,5S)-2-{[(1S)-1-(benzylc...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 125 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Texas at Houston | Assay Description Fluorescence polarization (FP) binding assay is utilizing the intrinsic property of the fluorescent probe, which will have low polarization value whe... | J Med Chem 48: 6661-70 (2005) Article DOI: 10.1021/jm050513m BindingDB Entry DOI: 10.7270/Q2TH8JZF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Signal transducer and activator of transcription 3 (Mus musculus (mouse)) | BDBM20242 (4-[(2S)-2-{[(2S)-1-[(1R,2S,5S)-2-{[(1S)-1-(benzylc...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.88E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Texas at Houston | Assay Description Fluorescence polarization (FP) binding assay is utilizing the intrinsic property of the fluorescent probe, which will have low polarization value whe... | J Med Chem 48: 6661-70 (2005) Article DOI: 10.1021/jm050513m BindingDB Entry DOI: 10.7270/Q2TH8JZF | |||||||||||
More data for this Ligand-Target Pair |