BDBM139064 US8883771, 10

SMILES: CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)S(=O)(=O)CCCCCCCCS(=O)(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC(c1ccccc1)c1ccccc1

InChI Key: InChIKey=SUUFHAIKNRCHDE-IICSQRIHSA-N

Data: 3 IC50

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 3 hits for monomerid = 139064   

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
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human))	BDBM139064 (US8883771, 10) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)S(=O)(=O)CCCCCCCCS(=O)(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C62H84N10O10S2/c1-43(63-3)57(73)65-51-41-69(37-35-49-31-33-53(71(49)61(51)77)59(75)67-55(45-23-13-9-14-24-45)46-25-15-10-16-26-46)83(79,80)39-21-7-5-6-8-22-40-84(81,82)70-38-36-50-32-34-54(72(50)62(78)52(42-70)66-58(74)44(2)64-4)60(76)68-56(47-27-17-11-18-28-47)48-29-19-12-20-30-48/h9-20,23-30,43-44,49-56,63-64H,5-8,21-22,31-42H2,1-4H3,(H,65,73)(H,66,74)(H,67,75)(H,68,76)/t43-,44-,49+,50+,51-,52-,53-,54?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.5	n/a
The Regents of the University of Michigan US Patent					Assay Description Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...				US Patent US8883771 (2014) BindingDB Entry DOI: 10.7270/Q2C24V4C
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3) (Homo sapiens (Human))	BDBM139064 (US8883771, 10) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)S(=O)(=O)CCCCCCCCS(=O)(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C62H84N10O10S2/c1-43(63-3)57(73)65-51-41-69(37-35-49-31-33-53(71(49)61(51)77)59(75)67-55(45-23-13-9-14-24-45)46-25-15-10-16-26-46)83(79,80)39-21-7-5-6-8-22-40-84(81,82)70-38-36-50-32-34-54(72(50)62(78)52(42-70)66-58(74)44(2)64-4)60(76)68-56(47-27-17-11-18-28-47)48-29-19-12-20-30-48/h9-20,23-30,43-44,49-56,63-64H,5-8,21-22,31-42H2,1-4H3,(H,65,73)(H,66,74)(H,67,75)(H,68,76)/t43-,44-,49+,50+,51-,52-,53-,54?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	7.5	n/a
The Regents of the University of Michigan US Patent					Assay Description Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...				US Patent US8883771 (2014) BindingDB Entry DOI: 10.7270/Q2C24V4C
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM139064 (US8883771, 10) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)S(=O)(=O)CCCCCCCCS(=O)(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C62H84N10O10S2/c1-43(63-3)57(73)65-51-41-69(37-35-49-31-33-53(71(49)61(51)77)59(75)67-55(45-23-13-9-14-24-45)46-25-15-10-16-26-46)83(79,80)39-21-7-5-6-8-22-40-84(81,82)70-38-36-50-32-34-54(72(50)62(78)52(42-70)66-58(74)44(2)64-4)60(76)68-56(47-27-17-11-18-28-47)48-29-19-12-20-30-48/h9-20,23-30,43-44,49-56,63-64H,5-8,21-22,31-42H2,1-4H3,(H,65,73)(H,66,74)(H,67,75)(H,68,76)/t43-,44-,49+,50+,51-,52-,53-,54?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	7.5	n/a
The Regents of the University of Michigan US Patent					Assay Description Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...				US Patent US8883771 (2014) BindingDB Entry DOI: 10.7270/Q2C24V4C
					More data for this Ligand-Target Pair