BDBM50343511 (3S,6S,1'aS)-6-((S)-2-(Methylamino)propanamido)-N-((1-(2-(2-(2-(2-(4-((S)-((3S,6S,1'aS)-6-((S)-2-(methylamino)propanamido)-5-oxodecahydropyrrolo[1,2-a]azocine-3-carboxamido)(phenyl)methyl)-1H-1,2,3-triazol-1-yl)ethoxy)ethoxy)ethoxy)ethyl)-1H-1,2,3-triazol-4-yl)(phenyl)methyl)-5-oxodecahydropyrrolo[1,2-a]azocine-3-carboxamide::CHEMBL1774165

SMILES: CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCOCCOCCOCCn2cc(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=BJTRDZRWFOFYFN-QHNAYFJPSA-N

Data: 5 KI  5 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 10 hits for monomerid = 50343511   

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
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50343511 ((3S,6S,1'aS)-6-((S)-2-(Methylamino)propanamido)-N-...) 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(CCOCCOCCOCCn2cc(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/C56H80N14O9/c1-37(57-3)51(71)59-43-21-13-11-19-41-23-25-47(69(41)55(43)75)53(73)61-49(39-15-7-5-8-16-39)45-35-67(65-63-45)27-29-77-31-33-79-34-32-78-30-28-68-36-46(64-66-68)50(40-17-9-6-10-18-40)62-54(74)48-26-24-42-20-12-14-22-44(56(76)70(42)48)60-52(72)38(2)58-4/h5-10,15-18,35-38,41-44,47-50,57-58H,11-14,19-34H2,1-4H3,(H,59,71)(H,60,72)(H,61,73)(H,62,74)/t37-,38-,41-,42-,43-,44-,47-,48-,49-,50-/m0/s1	PDB 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 cIAP1 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))	BDBM50343511 ((3S,6S,1'aS)-6-((S)-2-(Methylamino)propanamido)-N-...) 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(CCOCCOCCOCCn2cc(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/C56H80N14O9/c1-37(57-3)51(71)59-43-21-13-11-19-41-23-25-47(69(41)55(43)75)53(73)61-49(39-15-7-5-8-16-39)45-35-67(65-63-45)27-29-77-31-33-79-34-32-78-30-28-68-36-46(64-66-68)50(40-17-9-6-10-18-40)62-54(74)48-26-24-42-20-12-14-22-44(56(76)70(42)48)60-52(72)38(2)58-4/h5-10,15-18,35-38,41-44,47-50,57-58H,11-14,19-34H2,1-4H3,(H,59,71)(H,60,72)(H,61,73)(H,62,74)/t37-,38-,41-,42-,43-,44-,47-,48-,49-,50-/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
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human))	BDBM50343511 ((3S,6S,1'aS)-6-((S)-2-(Methylamino)propanamido)-N-...) 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(CCOCCOCCOCCn2cc(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/C56H80N14O9/c1-37(57-3)51(71)59-43-21-13-11-19-41-23-25-47(69(41)55(43)75)53(73)61-49(39-15-7-5-8-16-39)45-35-67(65-63-45)27-29-77-31-33-79-34-32-78-30-28-68-36-46(64-66-68)50(40-17-9-6-10-18-40)62-54(74)48-26-24-42-20-12-14-22-44(56(76)70(42)48)60-52(72)38(2)58-4/h5-10,15-18,35-38,41-44,47-50,57-58H,11-14,19-34H2,1-4H3,(H,59,71)(H,60,72)(H,61,73)(H,62,74)/t37-,38-,41-,42-,43-,44-,47-,48-,49-,50-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4	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 (IAP1 BIR3) (Homo sapiens (Human))	BDBM50343511 ((3S,6S,1'aS)-6-((S)-2-(Methylamino)propanamido)-N-...) 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(CCOCCOCCOCCn2cc(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/C56H80N14O9/c1-37(57-3)51(71)59-43-21-13-11-19-41-23-25-47(69(41)55(43)75)53(73)61-49(39-15-7-5-8-16-39)45-35-67(65-63-45)27-29-77-31-33-79-34-32-78-30-28-68-36-46(64-66-68)50(40-17-9-6-10-18-40)62-54(74)48-26-24-42-20-12-14-22-44(56(76)70(42)48)60-52(72)38(2)58-4/h5-10,15-18,35-38,41-44,47-50,57-58H,11-14,19-34H2,1-4H3,(H,59,71)(H,60,72)(H,61,73)(H,62,74)/t37-,38-,41-,42-,43-,44-,47-,48-,49-,50-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7	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
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human))	BDBM50343511 ((3S,6S,1'aS)-6-((S)-2-(Methylamino)propanamido)-N-...) 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(CCOCCOCCOCCn2cc(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/C56H80N14O9/c1-37(57-3)51(71)59-43-21-13-11-19-41-23-25-47(69(41)55(43)75)53(73)61-49(39-15-7-5-8-16-39)45-35-67(65-63-45)27-29-77-31-33-79-34-32-78-30-28-68-36-46(64-66-68)50(40-17-9-6-10-18-40)62-54(74)48-26-24-42-20-12-14-22-44(56(76)70(42)48)60-52(72)38(2)58-4/h5-10,15-18,35-38,41-44,47-50,57-58H,11-14,19-34H2,1-4H3,(H,59,71)(H,60,72)(H,61,73)(H,62,74)/t37-,38-,41-,42-,43-,44-,47-,48-,49-,50-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	157	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))	BDBM50343511 ((3S,6S,1'aS)-6-((S)-2-(Methylamino)propanamido)-N-...) 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(CCOCCOCCOCCn2cc(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/C56H80N14O9/c1-37(57-3)51(71)59-43-21-13-11-19-41-23-25-47(69(41)55(43)75)53(73)61-49(39-15-7-5-8-16-39)45-35-67(65-63-45)27-29-77-31-33-79-34-32-78-30-28-68-36-46(64-66-68)50(40-17-9-6-10-18-40)62-54(74)48-26-24-42-20-12-14-22-44(56(76)70(42)48)60-52(72)38(2)58-4/h5-10,15-18,35-38,41-44,47-50,57-58H,11-14,19-34H2,1-4H3,(H,59,71)(H,60,72)(H,61,73)(H,62,74)/t37-,38-,41-,42-,43-,44-,47-,48-,49-,50-/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	13	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
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human))	BDBM50343511 ((3S,6S,1'aS)-6-((S)-2-(Methylamino)propanamido)-N-...) 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(CCOCCOCCOCCn2cc(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/C56H80N14O9/c1-37(57-3)51(71)59-43-21-13-11-19-41-23-25-47(69(41)55(43)75)53(73)61-49(39-15-7-5-8-16-39)45-35-67(65-63-45)27-29-77-31-33-79-34-32-78-30-28-68-36-46(64-66-68)50(40-17-9-6-10-18-40)62-54(74)48-26-24-42-20-12-14-22-44(56(76)70(42)48)60-52(72)38(2)58-4/h5-10,15-18,35-38,41-44,47-50,57-58H,11-14,19-34H2,1-4H3,(H,59,71)(H,60,72)(H,61,73)(H,62,74)/t37-,38-,41-,42-,43-,44-,47-,48-,49-,50-/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	14	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
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50343511 ((3S,6S,1'aS)-6-((S)-2-(Methylamino)propanamido)-N-...) 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(CCOCCOCCOCCn2cc(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/C56H80N14O9/c1-37(57-3)51(71)59-43-21-13-11-19-41-23-25-47(69(41)55(43)75)53(73)61-49(39-15-7-5-8-16-39)45-35-67(65-63-45)27-29-77-31-33-79-34-32-78-30-28-68-36-46(64-66-68)50(40-17-9-6-10-18-40)62-54(74)48-26-24-42-20-12-14-22-44(56(76)70(42)48)60-52(72)38(2)58-4/h5-10,15-18,35-38,41-44,47-50,57-58H,11-14,19-34H2,1-4H3,(H,59,71)(H,60,72)(H,61,73)(H,62,74)/t37-,38-,41-,42-,43-,44-,47-,48-,49-,50-/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	14	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 (IAP1 BIR3) (Homo sapiens (Human))	BDBM50343511 ((3S,6S,1'aS)-6-((S)-2-(Methylamino)propanamido)-N-...) 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(CCOCCOCCOCCn2cc(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/C56H80N14O9/c1-37(57-3)51(71)59-43-21-13-11-19-41-23-25-47(69(41)55(43)75)53(73)61-49(39-15-7-5-8-16-39)45-35-67(65-63-45)27-29-77-31-33-79-34-32-78-30-28-68-36-46(64-66-68)50(40-17-9-6-10-18-40)62-54(74)48-26-24-42-20-12-14-22-44(56(76)70(42)48)60-52(72)38(2)58-4/h5-10,15-18,35-38,41-44,47-50,57-58H,11-14,19-34H2,1-4H3,(H,59,71)(H,60,72)(H,61,73)(H,62,74)/t37-,38-,41-,42-,43-,44-,47-,48-,49-,50-/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	27	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
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human))	BDBM50343511 ((3S,6S,1'aS)-6-((S)-2-(Methylamino)propanamido)-N-...) 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(CCOCCOCCOCCn2cc(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/C56H80N14O9/c1-37(57-3)51(71)59-43-21-13-11-19-41-23-25-47(69(41)55(43)75)53(73)61-49(39-15-7-5-8-16-39)45-35-67(65-63-45)27-29-77-31-33-79-34-32-78-30-28-68-36-46(64-66-68)50(40-17-9-6-10-18-40)62-54(74)48-26-24-42-20-12-14-22-44(56(76)70(42)48)60-52(72)38(2)58-4/h5-10,15-18,35-38,41-44,47-50,57-58H,11-14,19-34H2,1-4H3,(H,59,71)(H,60,72)(H,61,73)(H,62,74)/t37-,38-,41-,42-,43-,44-,47-,48-,49-,50-/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	523	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