null
SMILES: [H][C@@]12CCC[C@H](NC(=O)[C@H](C)NC)C(=O)N1[C@@H](CS2)C(=O)Nc1cc(C)nn1-c1ccccc1
InChI Key: InChIKey=YYBUDMKKCZIZQP-TXJVSEOTSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human)) | BDBM17347 ((3R,6S,9aR)-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 270 | -8.86 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Genentech | Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... | ACS Chem Biol 1: 525-33 (2006) Article DOI: 10.1021/cb600276q BindingDB Entry DOI: 10.7270/Q2G15Z34 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Complex of Baculoviral IAP repeat-containing protein 7 [1-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348] (Homo sapiens (Human)) | BDBM17347 ((3R,6S,9aR)-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 280 | -8.84 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Genentech | Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... | ACS Chem Biol 1: 525-33 (2006) Article DOI: 10.1021/cb600276q BindingDB Entry DOI: 10.7270/Q2G15Z34 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human)) | BDBM17347 ((3R,6S,9aR)-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Curated by ChEMBL | Assay Description Inhibition of XIAP by FP assay | J Med Chem 54: 890-900 (2012) Article DOI: 10.1021/jm101341m BindingDB Entry DOI: 10.7270/Q2G73FQ9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Baculoviral IAP repeat-containing protein 3 [252-340] (Homo sapiens (Human)) | BDBM17347 ((3R,6S,9aR)-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 490 | -8.52 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Genentech | Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... | ACS Chem Biol 1: 525-33 (2006) Article DOI: 10.1021/cb600276q BindingDB Entry DOI: 10.7270/Q2G15Z34 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Baculoviral IAP repeat-containing protein 2 [266-354] (Homo sapiens (Human)) | BDBM17347 ((3R,6S,9aR)-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 110 | -9.39 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Genentech | Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... | ACS Chem Biol 1: 525-33 (2006) Article DOI: 10.1021/cb600276q BindingDB Entry DOI: 10.7270/Q2G15Z34 | |||||||||||
More data for this Ligand-Target Pair |