BDBM391837 US10300074, Compd 32

SMILES: CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCOc2ccccc12

InChI Key: InChIKey=FOZRDSOEUULRIC-CICISYLWSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 391837   

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
BIR3 (Homo sapiens (Human))	BDBM391837 (US10300074, Compd 32 | US11111270, Compound 32) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCOc2ccccc12 |r| Show InChI InChI=1S/C22H30N4O5/c1-13(23-2)20(27)25-16-10-12-31-19-8-7-17(26(19)22(16)29)21(28)24-15-9-11-30-18-6-4-3-5-14(15)18/h3-6,13,15-17,19,23H,7-12H2,1-2H3,(H,24,28)(H,25,27)/t13-,15+,16-,17-,19-/m0/s1	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
GSK					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...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP/ BIR 3 (Homo sapiens (Human))	BDBM391837 (US10300074, Compd 32 | US11111270, Compound 32) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCOc2ccccc12 |r| Show InChI InChI=1S/C22H30N4O5/c1-13(23-2)20(27)25-16-10-12-31-19-8-7-17(26(19)22(16)29)21(28)24-15-9-11-30-18-6-4-3-5-14(15)18/h3-6,13,15-17,19,23H,7-12H2,1-2H3,(H,24,28)(H,25,27)/t13-,15+,16-,17-,19-/m0/s1	GoogleScholar AffyNet	PC cid PC sid UniChem		<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
BIR3 (aa 241-356) (Homo sapiens (Human))	BDBM391837 (US10300074, Compd 32 | US11111270, Compound 32) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCOc2ccccc12 |r| Show InChI InChI=1S/C22H30N4O5/c1-13(23-2)20(27)25-16-10-12-31-19-8-7-17(26(19)22(16)29)21(28)24-15-9-11-30-18-6-4-3-5-14(15)18/h3-6,13,15-17,19,23H,7-12H2,1-2H3,(H,24,28)(H,25,27)/t13-,15+,16-,17-,19-/m0/s1	PDB 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
GSK					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...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7 (Homo sapiens (Human))	BDBM391837 (US10300074, Compd 32 | US11111270, Compound 32) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCOc2ccccc12 |r| Show InChI InChI=1S/C22H30N4O5/c1-13(23-2)20(27)25-16-10-12-31-19-8-7-17(26(19)22(16)29)21(28)24-15-9-11-30-18-6-4-3-5-14(15)18/h3-6,13,15-17,19,23H,7-12H2,1-2H3,(H,24,28)(H,25,27)/t13-,15+,16-,17-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP BIR1/2 (Homo sapiens (Human))	BDBM391837 (US10300074, Compd 32 | US11111270, Compound 32) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCOc2ccccc12 |r| Show InChI InChI=1S/C22H30N4O5/c1-13(23-2)20(27)25-16-10-12-31-19-8-7-17(26(19)22(16)29)21(28)24-15-9-11-30-18-6-4-3-5-14(15)18/h3-6,13,15-17,19,23H,7-12H2,1-2H3,(H,24,28)(H,25,27)/t13-,15+,16-,17-,19-/m0/s1	GoogleScholar AffyNet	PC cid PC sid UniChem		>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
XIAP BIR1/2 (Homo sapiens (Human))	BDBM391837 (US10300074, Compd 32 | US11111270, Compound 32) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCOc2ccccc12 |r| Show InChI InChI=1S/C22H30N4O5/c1-13(23-2)20(27)25-16-10-12-31-19-8-7-17(26(19)22(16)29)21(28)24-15-9-11-30-18-6-4-3-5-14(15)18/h3-6,13,15-17,19,23H,7-12H2,1-2H3,(H,24,28)(H,25,27)/t13-,15+,16-,17-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					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...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
					More data for this Ligand-Target Pair