BDBM13212 (3S,6S,9aS)-N-(diphenylmethyl)-6-[(2S)-2-(methylamino)butanamido]-5-oxo-octahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide::(3S,6S,9aS)-N-benzhydryl-6-{[(2S)-2-(methylamino)butanoyl]amino}-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide::BMC175834 Compound 1b::JMC517169 Compound 13::JMC517352 Compound 1::SM-131::conformationally constrained Smac mimetic 2
SMILES CC[C@H](NC)C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
InChI Key InChIKey=UKNQPDHAXSCGKL-ZJZGAYNASA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 7 hits for monomerid = 13212
TargetBaculoviral IAP repeat-containing protein 2 [253-363](Homo sapiens (Human))
Shanghai Institute of Organic Chemistry
Shanghai Institute of Organic Chemistry
Affinity DataKi: 1.30nM ΔG°: -12.0kcal/molepH: 7.5 T: 2°CAssay Description:Fluorescence polarization was measured on an Ultra plate reader at excitation and emission wavelengths of 485 and 530 nm, respectively. The equilibri...More data for this Ligand-Target Pair
TargetBaculoviral IAP repeat-containing protein 3 [238-349](Homo sapiens (Human))
Shanghai Institute of Organic Chemistry
Shanghai Institute of Organic Chemistry
Affinity DataKi: 4.80nM ΔG°: -11.2kcal/molepH: 7.5 T: 2°CAssay Description:Fluorescence polarization was measured on an Ultra plate reader at excitation and emission wavelengths of 485 and 530 nm, respectively. The equilibri...More data for this Ligand-Target Pair
Affinity DataKi: 61nM ΔG°: -9.74kcal/molepH: 7.5 T: 2°CAssay Description:A quantitative in vitro binding assay using the fluorescence polarization (FP) based method was developed and used to determine the binding affinity ...More data for this Ligand-Target Pair
Affinity DataKi: 61nM ΔG°: -9.74kcal/molepH: 7.5 T: 2°CAssay Description:Fluorescence polarization was measured on an Ultra plate reader at excitation and emission wavelengths of 485 and 530 nm, respectively. The equilibri...More data for this Ligand-Target Pair
TargetBaculoviral IAP repeat-containing protein 3(Homo sapiens (Human))
Universita Degli Studi Di Milano
Universita Degli Studi Di Milano
Affinity DataKi: 61nM ΔG°: -9.77kcal/mole IC50: 530nMpH: 7.5 T: 2°CAssay Description:Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...More data for this Ligand-Target Pair
Affinity DataKi: 61nM ΔG°: -9.74kcal/molepH: 7.5 T: 2°CAssay Description:Fluorescence polarization was measured on an Ultra plate reader at excitation and emission wavelengths of 485 and 530 nm, respectively. The equilibri...More data for this Ligand-Target Pair
Affinity DataIC50: 420nMAssay Description:Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...More data for this Ligand-Target Pair