Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 518.6 BDBM518384

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
E3 ubiquitin-protein ligase XIAP [163-230]/[26-93] (Homo sapiens (Human))	BDBM518384 (US11111270, Compound 47) Show SMILES CN[C@@H](C)C(=O)N[C@H]1Cc2cccc(O)c2[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:21.27| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185NQ
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7 (Homo sapiens (Human))	BDBM518384 (US11111270, Compound 47) Show SMILES CN[C@@H](C)C(=O)N[C@H]1Cc2cccc(O)c2[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:21.27| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185NQ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330] (Homo sapiens (Human))	BDBM518384 (US11111270, Compound 47) Show SMILES CN[C@@H](C)C(=O)N[C@H]1Cc2cccc(O)c2[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:21.27| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185NQ
					More data for this Ligand-Target Pair