BDBM27941 N-{[(2S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]pyrrolidin-2-yl]methyl}naphthalene-1-carboxamide::butoxycarbonylpyrrolidine derivative, 15b
SMILES: CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1CNC(=O)c1cccc2ccccc12)C(C)(C)C
InChI Key: InChIKey=FPXSXLPIQWNRHT-LQBOVUBWSA-N
Data: 2 KI
PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.
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)) | BDBM27941 (N-{[(2S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylami...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 780 | -8.24 | 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 (docked) | ||||||||||||
XIAP-BIR3 (Homo sapiens (Human)) | BDBM27941 (N-{[(2S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylami...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.60E+3 | 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 |