BDBM27942 (2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(2,2-diphenylethyl)pyrrolidine-2-carboxamide::Ala-Val-Pro-2,2-diphenethylamine, 1
SMILES: CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1
InChI Key: InChIKey=ZJCCVSICICQPSQ-IGKWTDBASA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
ML-IAP-BIR (Homo sapiens (Human)) | BDBM27942![]() ((2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylb...) | PDB MMDB B.MOAD GoogleScholar | KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 43 | -9.94 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Genentech Inc | Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... | J Med Chem 52: 1723-30 (2009) Article DOI: 10.1021/jm801450c BindingDB Entry DOI: 10.7270/Q2WH2N9H | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
XIAP-BIR3 (Homo sapiens (Human)) | BDBM27942![]() ((2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylb...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar | KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 345 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc | Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... | J Med Chem 52: 1723-30 (2009) Article DOI: 10.1021/jm801450c BindingDB Entry DOI: 10.7270/Q2WH2N9H | |||||||||||
More data for this Ligand-Target Pair |