BDBM50314467 (S)-N-((S)-1-cyclohexyl-2-oxo-2-((S)-2-(4-phenylbenzo[d]thiazol-2-yl)pyrrolidin-1-yl)ethyl)-2-(methylamino)propanamide::CHEMBL1093339::N-{(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl}-N~2~-methyl-L-alaninamide
SMILES: CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc2c(cccc2s1)-c1ccccc1
InChI Key: InChIKey=ZMBDQSBUBMMIRB-QXWFJRNPSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human)) | BDBM50314467 ((S)-N-((S)-1-cyclohexyl-2-oxo-2-((S)-2-(4-phenylbe...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 3.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description Antagonist activity at XIAP BIR3 domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com: Unfor... | Bioorg Med Chem Lett 20: 2229-33 (2010) Checked by Author Article DOI: 10.1016/j.bmcl.2010.02.021 BindingDB Entry DOI: 10.7270/Q298875B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Baculoviral IAP repeat-containing protein 7 (Homo sapiens (Human)) | BDBM50314467 ((S)-N-((S)-1-cyclohexyl-2-oxo-2-((S)-2-(4-phenylbe...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 5.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com... | Bioorg Med Chem Lett 20: 2229-33 (2010) Checked by Author Article DOI: 10.1016/j.bmcl.2010.02.021 BindingDB Entry DOI: 10.7270/Q298875B | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |