BDBM44297 (2S)-1-[(2S)-5-amino-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-1,5-dioxopentyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-pyrrolidinecarboxamide;formic acid::(2S)-1-[(2S)-5-amino-2-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxopentanoyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide;formic acid::(2S)-1-[(2S)-5-amino-5-keto-2-[[(2S)-2-(methylamino)propanoyl]amino]pentanoyl]-N-tetralin-1-yl-pyrrolidine-2-carboxamide;formic acid::(2S)-1-[(2S)-5-azanyl-2-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxidanylidene-pentanoyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide;methanoic acid::MLS-0391060.0001::cid_44182165
SMILES: CN[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)NC1CCCc2ccccc12
InChI Key: InChIKey=RTGVNCIYZFWLTP-RZTOKTMZSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human)) | BDBM44297 ((2S)-1-[(2S)-5-amino-2-[[(2S)-2-(methylamino)-1-ox...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 850 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q29W0CWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human)) | BDBM44297 ((2S)-1-[(2S)-5-amino-2-[[(2S)-2-(methylamino)-1-ox...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 6.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2FN14KV | |||||||||||
More data for this Ligand-Target Pair |