null

SMILES: CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCCCCCCCn2cc(nn2)[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N23)c2ccccc2)nn1)c1ccccc1

InChI Key: InChIKey=AVAOWCBMADPQBJ-RJLOISGXSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50343523   

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
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50343523 ((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCCCCCCCn2cc(nn2)[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N23)c2ccccc2)nn1)c1ccccc1 |r| Show InChI InChI=1S/C58H84N14O6/c1-39(59-3)53(73)61-45-29-19-17-27-43-31-33-49(71(43)57(45)77)55(75)63-51(41-23-13-11-14-24-41)47-37-69(67-65-47)35-21-9-7-5-6-8-10-22-36-70-38-48(66-68-70)52(42-25-15-12-16-26-42)64-56(76)50-34-32-44-28-18-20-30-46(58(78)72(44)50)62-54(74)40(2)60-4/h11-16,23-26,37-40,43-46,49-52,59-60H,5-10,17-22,27-36H2,1-4H3,(H,61,73)(H,62,74)(H,63,75)(H,64,76)/t39-,40-,43-,44-,45-,46-,49-,50-,51-,52-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to human XIAP linker BIR2-BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polarization-based assay				J Med Chem 54: 3306-18 (2011) Article DOI: 10.1021/jm101651b BindingDB Entry DOI: 10.7270/Q2RJ4JSD
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50343523 ((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCCCCCCCn2cc(nn2)[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N23)c2ccccc2)nn1)c1ccccc1 |r| Show InChI InChI=1S/C58H84N14O6/c1-39(59-3)53(73)61-45-29-19-17-27-43-31-33-49(71(43)57(45)77)55(75)63-51(41-23-13-11-14-24-41)47-37-69(67-65-47)35-21-9-7-5-6-8-10-22-36-70-38-48(66-68-70)52(42-25-15-12-16-26-42)64-56(76)50-34-32-44-28-18-20-30-46(58(78)72(44)50)62-54(74)40(2)60-4/h11-16,23-26,37-40,43-46,49-52,59-60H,5-10,17-22,27-36H2,1-4H3,(H,61,73)(H,62,74)(H,63,75)(H,64,76)/t39-,40-,43-,44-,45-,46-,49-,50-,51-,52-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to human cIAP2 BIR3 domain after 2 to 3 hrs by fluorescence polarization-based assay				J Med Chem 54: 3306-18 (2011) Article DOI: 10.1021/jm101651b BindingDB Entry DOI: 10.7270/Q2RJ4JSD
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50343523 ((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCCCCCCCn2cc(nn2)[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N23)c2ccccc2)nn1)c1ccccc1 |r| Show InChI InChI=1S/C58H84N14O6/c1-39(59-3)53(73)61-45-29-19-17-27-43-31-33-49(71(43)57(45)77)55(75)63-51(41-23-13-11-14-24-41)47-37-69(67-65-47)35-21-9-7-5-6-8-10-22-36-70-38-48(66-68-70)52(42-25-15-12-16-26-42)64-56(76)50-34-32-44-28-18-20-30-46(58(78)72(44)50)62-54(74)40(2)60-4/h11-16,23-26,37-40,43-46,49-52,59-60H,5-10,17-22,27-36H2,1-4H3,(H,61,73)(H,62,74)(H,63,75)(H,64,76)/t39-,40-,43-,44-,45-,46-,49-,50-,51-,52-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to human cIAP1 BIR2-BIR3 domain after 2 to 3 hrs by fluorescence polarization-based assay				J Med Chem 54: 3306-18 (2011) Article DOI: 10.1021/jm101651b BindingDB Entry DOI: 10.7270/Q2RJ4JSD
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50343523 ((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCCCCCCCn2cc(nn2)[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N23)c2ccccc2)nn1)c1ccccc1 |r| Show InChI InChI=1S/C58H84N14O6/c1-39(59-3)53(73)61-45-29-19-17-27-43-31-33-49(71(43)57(45)77)55(75)63-51(41-23-13-11-14-24-41)47-37-69(67-65-47)35-21-9-7-5-6-8-10-22-36-70-38-48(66-68-70)52(42-25-15-12-16-26-42)64-56(76)50-34-32-44-28-18-20-30-46(58(78)72(44)50)62-54(74)40(2)60-4/h11-16,23-26,37-40,43-46,49-52,59-60H,5-10,17-22,27-36H2,1-4H3,(H,61,73)(H,62,74)(H,63,75)(H,64,76)/t39-,40-,43-,44-,45-,46-,49-,50-,51-,52-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to His-tagged human XIAP BIR3 domain expressed in Escherichia coli BL21(DE3) after 2 to 3 hrs by fluorescence polarization-based ass...				J Med Chem 54: 3306-18 (2011) Article DOI: 10.1021/jm101651b BindingDB Entry DOI: 10.7270/Q2RJ4JSD
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50343523 ((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCCCCCCCn2cc(nn2)[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N23)c2ccccc2)nn1)c1ccccc1 |r| Show InChI InChI=1S/C58H84N14O6/c1-39(59-3)53(73)61-45-29-19-17-27-43-31-33-49(71(43)57(45)77)55(75)63-51(41-23-13-11-14-24-41)47-37-69(67-65-47)35-21-9-7-5-6-8-10-22-36-70-38-48(66-68-70)52(42-25-15-12-16-26-42)64-56(76)50-34-32-44-28-18-20-30-46(58(78)72(44)50)62-54(74)40(2)60-4/h11-16,23-26,37-40,43-46,49-52,59-60H,5-10,17-22,27-36H2,1-4H3,(H,61,73)(H,62,74)(H,63,75)(H,64,76)/t39-,40-,43-,44-,45-,46-,49-,50-,51-,52-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Competitive inhibition of human cIAP1BIR2-BIR3 domain after 2 to 3 hrs by fluorescence polarization assay				J Med Chem 54: 3306-18 (2011) Article DOI: 10.1021/jm101651b BindingDB Entry DOI: 10.7270/Q2RJ4JSD
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50343523 ((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCCCCCCCn2cc(nn2)[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N23)c2ccccc2)nn1)c1ccccc1 |r| Show InChI InChI=1S/C58H84N14O6/c1-39(59-3)53(73)61-45-29-19-17-27-43-31-33-49(71(43)57(45)77)55(75)63-51(41-23-13-11-14-24-41)47-37-69(67-65-47)35-21-9-7-5-6-8-10-22-36-70-38-48(66-68-70)52(42-25-15-12-16-26-42)64-56(76)50-34-32-44-28-18-20-30-46(58(78)72(44)50)62-54(74)40(2)60-4/h11-16,23-26,37-40,43-46,49-52,59-60H,5-10,17-22,27-36H2,1-4H3,(H,61,73)(H,62,74)(H,63,75)(H,64,76)/t39-,40-,43-,44-,45-,46-,49-,50-,51-,52-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Competitive inhibition of human cIAP2 BIR3 domain after 2 to 3 hrs by fluorescence polarization assay				J Med Chem 54: 3306-18 (2011) Article DOI: 10.1021/jm101651b BindingDB Entry DOI: 10.7270/Q2RJ4JSD
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50343523 ((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCCCCCCCn2cc(nn2)[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N23)c2ccccc2)nn1)c1ccccc1 |r| Show InChI InChI=1S/C58H84N14O6/c1-39(59-3)53(73)61-45-29-19-17-27-43-31-33-49(71(43)57(45)77)55(75)63-51(41-23-13-11-14-24-41)47-37-69(67-65-47)35-21-9-7-5-6-8-10-22-36-70-38-48(66-68-70)52(42-25-15-12-16-26-42)64-56(76)50-34-32-44-28-18-20-30-46(58(78)72(44)50)62-54(74)40(2)60-4/h11-16,23-26,37-40,43-46,49-52,59-60H,5-10,17-22,27-36H2,1-4H3,(H,61,73)(H,62,74)(H,63,75)(H,64,76)/t39-,40-,43-,44-,45-,46-,49-,50-,51-,52-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	134	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Competitive inhibition of His-tagged human XIAP BIR3 domain expressed in Escherichia coli BL21(DE3) after 2 to 3 hrs by fluorescence polarization ass...				J Med Chem 54: 3306-18 (2011) Article DOI: 10.1021/jm101651b BindingDB Entry DOI: 10.7270/Q2RJ4JSD
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50343523 ((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCCCCCCCn2cc(nn2)[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N23)c2ccccc2)nn1)c1ccccc1 |r| Show InChI InChI=1S/C58H84N14O6/c1-39(59-3)53(73)61-45-29-19-17-27-43-31-33-49(71(43)57(45)77)55(75)63-51(41-23-13-11-14-24-41)47-37-69(67-65-47)35-21-9-7-5-6-8-10-22-36-70-38-48(66-68-70)52(42-25-15-12-16-26-42)64-56(76)50-34-32-44-28-18-20-30-46(58(78)72(44)50)62-54(74)40(2)60-4/h11-16,23-26,37-40,43-46,49-52,59-60H,5-10,17-22,27-36H2,1-4H3,(H,61,73)(H,62,74)(H,63,75)(H,64,76)/t39-,40-,43-,44-,45-,46-,49-,50-,51-,52-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Competitive inhibition of human cIAP1 BIR3 domain after 2 to 3 hrs by fluorescence polarization assay				J Med Chem 54: 3306-18 (2011) Article DOI: 10.1021/jm101651b BindingDB Entry DOI: 10.7270/Q2RJ4JSD
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50343523 ((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCCCCCCCn2cc(nn2)[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N23)c2ccccc2)nn1)c1ccccc1 |r| Show InChI InChI=1S/C58H84N14O6/c1-39(59-3)53(73)61-45-29-19-17-27-43-31-33-49(71(43)57(45)77)55(75)63-51(41-23-13-11-14-24-41)47-37-69(67-65-47)35-21-9-7-5-6-8-10-22-36-70-38-48(66-68-70)52(42-25-15-12-16-26-42)64-56(76)50-34-32-44-28-18-20-30-46(58(78)72(44)50)62-54(74)40(2)60-4/h11-16,23-26,37-40,43-46,49-52,59-60H,5-10,17-22,27-36H2,1-4H3,(H,61,73)(H,62,74)(H,63,75)(H,64,76)/t39-,40-,43-,44-,45-,46-,49-,50-,51-,52-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Competitive inhibition of human XIAP linker BIR2-BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polarization-based assay				J Med Chem 54: 3306-18 (2011) Article DOI: 10.1021/jm101651b BindingDB Entry DOI: 10.7270/Q2RJ4JSD
					More data for this Ligand-Target Pair