BDBM50393634 CHEMBL2158603

SMILES: CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)CCCCCCCCC(=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=RLPWJSZVGNKKIJ-YBEGZINPSA-N

Data: 5 KI  5 IC50  2 EC50

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 12 hits for monomerid = 50393634   

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))	BDBM50393634 (CHEMBL2158603) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)CCCCCCCCC(=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/C64H84N10O8/c1-43(65-3)59(77)67-51-41-71(39-37-49-33-35-53(73(49)63(51)81)61(79)69-57(45-23-13-9-14-24-45)46-25-15-10-16-26-46)55(75)31-21-7-5-6-8-22-32-56(76)72-40-38-50-34-36-54(74(50)64(82)52(42-72)68-60(78)44(2)66-4)62(80)70-58(47-27-17-11-18-28-47)48-29-19-12-20-30-48/h9-20,23-30,43-44,49-54,57-58,65-66H,5-8,21-22,31-42H2,1-4H3,(H,67,77)(H,68,78)(H,69,79)(H,70,80)/t43-,44-,49+,50+,51-,52-,53-,54-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 BIR3 domain of cIAP1 by fluorescence polarization assay				J Med Chem 55: 106-14 (2012) Article DOI: 10.1021/jm201072x BindingDB Entry DOI: 10.7270/Q2BG2Q3B
					More data for this Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human))	BDBM50393634 (CHEMBL2158603) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)CCCCCCCCC(=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/C64H84N10O8/c1-43(65-3)59(77)67-51-41-71(39-37-49-33-35-53(73(49)63(51)81)61(79)69-57(45-23-13-9-14-24-45)46-25-15-10-16-26-46)55(75)31-21-7-5-6-8-22-32-56(76)72-40-38-50-34-36-54(74(50)64(82)52(42-72)68-60(78)44(2)66-4)62(80)70-58(47-27-17-11-18-28-47)48-29-19-12-20-30-48/h9-20,23-30,43-44,49-54,57-58,65-66H,5-8,21-22,31-42H2,1-4H3,(H,67,77)(H,68,78)(H,69,79)(H,70,80)/t43-,44-,49+,50+,51-,52-,53-,54-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 BIR2-BIR3 domain of XIAP by fluorescence polarization assay				J Med Chem 55: 106-14 (2012) Article DOI: 10.1021/jm201072x BindingDB Entry DOI: 10.7270/Q2BG2Q3B
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3) (Homo sapiens (Human))	BDBM50393634 (CHEMBL2158603) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)CCCCCCCCC(=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/C64H84N10O8/c1-43(65-3)59(77)67-51-41-71(39-37-49-33-35-53(73(49)63(51)81)61(79)69-57(45-23-13-9-14-24-45)46-25-15-10-16-26-46)55(75)31-21-7-5-6-8-22-32-56(76)72-40-38-50-34-36-54(74(50)64(82)52(42-72)68-60(78)44(2)66-4)62(80)70-58(47-27-17-11-18-28-47)48-29-19-12-20-30-48/h9-20,23-30,43-44,49-54,57-58,65-66H,5-8,21-22,31-42H2,1-4H3,(H,67,77)(H,68,78)(H,69,79)(H,70,80)/t43-,44-,49+,50+,51-,52-,53-,54-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.40	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 BIR3 domain of cIAP2 by fluorescence polarization assay				J Med Chem 55: 106-14 (2012) Article DOI: 10.1021/jm201072x BindingDB Entry DOI: 10.7270/Q2BG2Q3B
					More data for this Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human))	BDBM50393634 (CHEMBL2158603) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)CCCCCCCCC(=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/C64H84N10O8/c1-43(65-3)59(77)67-51-41-71(39-37-49-33-35-53(73(49)63(51)81)61(79)69-57(45-23-13-9-14-24-45)46-25-15-10-16-26-46)55(75)31-21-7-5-6-8-22-32-56(76)72-40-38-50-34-36-54(74(50)64(82)52(42-72)68-60(78)44(2)66-4)62(80)70-58(47-27-17-11-18-28-47)48-29-19-12-20-30-48/h9-20,23-30,43-44,49-54,57-58,65-66H,5-8,21-22,31-42H2,1-4H3,(H,67,77)(H,68,78)(H,69,79)(H,70,80)/t43-,44-,49+,50+,51-,52-,53-,54-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	73	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 BIR3 domain of XIAP by fluorescence polarization assay				J Med Chem 55: 106-14 (2012) Article DOI: 10.1021/jm201072x BindingDB Entry DOI: 10.7270/Q2BG2Q3B
					More data for this Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human))	BDBM50393634 (CHEMBL2158603) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)CCCCCCCCC(=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/C64H84N10O8/c1-43(65-3)59(77)67-51-41-71(39-37-49-33-35-53(73(49)63(51)81)61(79)69-57(45-23-13-9-14-24-45)46-25-15-10-16-26-46)55(75)31-21-7-5-6-8-22-32-56(76)72-40-38-50-34-36-54(74(50)64(82)52(42-72)68-60(78)44(2)66-4)62(80)70-58(47-27-17-11-18-28-47)48-29-19-12-20-30-48/h9-20,23-30,43-44,49-54,57-58,65-66H,5-8,21-22,31-42H2,1-4H3,(H,67,77)(H,68,78)(H,69,79)(H,70,80)/t43-,44-,49+,50+,51-,52-,53-,54-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+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 BIR2 domain of XIAP by fluorescence polarization assay				J Med Chem 55: 106-14 (2012) Article DOI: 10.1021/jm201072x BindingDB Entry DOI: 10.7270/Q2BG2Q3B
					More data for this Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human))	BDBM50393634 (CHEMBL2158603) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)CCCCCCCCC(=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/C64H84N10O8/c1-43(65-3)59(77)67-51-41-71(39-37-49-33-35-53(73(49)63(51)81)61(79)69-57(45-23-13-9-14-24-45)46-25-15-10-16-26-46)55(75)31-21-7-5-6-8-22-32-56(76)72-40-38-50-34-36-54(74(50)64(82)52(42-72)68-60(78)44(2)66-4)62(80)70-58(47-27-17-11-18-28-47)48-29-19-12-20-30-48/h9-20,23-30,43-44,49-54,57-58,65-66H,5-8,21-22,31-42H2,1-4H3,(H,67,77)(H,68,78)(H,69,79)(H,70,80)/t43-,44-,49+,50+,51-,52-,53-,54-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to BIR2 domain of XIAP by fluorescence polarization assay				J Med Chem 55: 106-14 (2012) Article DOI: 10.1021/jm201072x BindingDB Entry DOI: 10.7270/Q2BG2Q3B
					More data for this Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human))	BDBM50393634 (CHEMBL2158603) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)CCCCCCCCC(=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/C64H84N10O8/c1-43(65-3)59(77)67-51-41-71(39-37-49-33-35-53(73(49)63(51)81)61(79)69-57(45-23-13-9-14-24-45)46-25-15-10-16-26-46)55(75)31-21-7-5-6-8-22-32-56(76)72-40-38-50-34-36-54(74(50)64(82)52(42-72)68-60(78)44(2)66-4)62(80)70-58(47-27-17-11-18-28-47)48-29-19-12-20-30-48/h9-20,23-30,43-44,49-54,57-58,65-66H,5-8,21-22,31-42H2,1-4H3,(H,67,77)(H,68,78)(H,69,79)(H,70,80)/t43-,44-,49+,50+,51-,52-,53-,54-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.90	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Antagonist activity at XIAP linker BIR2-BIR3 domain assessed as induction of caspase-3 activity using Ac-DEVD-AFC as substrate preincubated for 15 mi...				J Med Chem 55: 106-14 (2012) Article DOI: 10.1021/jm201072x BindingDB Entry DOI: 10.7270/Q2BG2Q3B
					More data for this Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human))	BDBM50393634 (CHEMBL2158603) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)CCCCCCCCC(=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/C64H84N10O8/c1-43(65-3)59(77)67-51-41-71(39-37-49-33-35-53(73(49)63(51)81)61(79)69-57(45-23-13-9-14-24-45)46-25-15-10-16-26-46)55(75)31-21-7-5-6-8-22-32-56(76)72-40-38-50-34-36-54(74(50)64(82)52(42-72)68-60(78)44(2)66-4)62(80)70-58(47-27-17-11-18-28-47)48-29-19-12-20-30-48/h9-20,23-30,43-44,49-54,57-58,65-66H,5-8,21-22,31-42H2,1-4H3,(H,67,77)(H,68,78)(H,69,79)(H,70,80)/t43-,44-,49+,50+,51-,52-,53-,54-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	500	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Antagonist activity at XIAP linker BIR2-BIR3 domain assessed as induction of caspase-9 activity using Z-LEHD as substrate preincubated for 15 mins me...				J Med Chem 55: 106-14 (2012) Article DOI: 10.1021/jm201072x BindingDB Entry DOI: 10.7270/Q2BG2Q3B
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3) (Homo sapiens (Human))	BDBM50393634 (CHEMBL2158603) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)CCCCCCCCC(=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/C64H84N10O8/c1-43(65-3)59(77)67-51-41-71(39-37-49-33-35-53(73(49)63(51)81)61(79)69-57(45-23-13-9-14-24-45)46-25-15-10-16-26-46)55(75)31-21-7-5-6-8-22-32-56(76)72-40-38-50-34-36-54(74(50)64(82)52(42-72)68-60(78)44(2)66-4)62(80)70-58(47-27-17-11-18-28-47)48-29-19-12-20-30-48/h9-20,23-30,43-44,49-54,57-58,65-66H,5-8,21-22,31-42H2,1-4H3,(H,67,77)(H,68,78)(H,69,79)(H,70,80)/t43-,44-,49+,50+,51-,52-,53-,54-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 Binding affinity to BIR3 domain of cIAP2 by fluorescence polarization assay				J Med Chem 55: 106-14 (2012) Article DOI: 10.1021/jm201072x BindingDB Entry DOI: 10.7270/Q2BG2Q3B
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50393634 (CHEMBL2158603) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)CCCCCCCCC(=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/C64H84N10O8/c1-43(65-3)59(77)67-51-41-71(39-37-49-33-35-53(73(49)63(51)81)61(79)69-57(45-23-13-9-14-24-45)46-25-15-10-16-26-46)55(75)31-21-7-5-6-8-22-32-56(76)72-40-38-50-34-36-54(74(50)64(82)52(42-72)68-60(78)44(2)66-4)62(80)70-58(47-27-17-11-18-28-47)48-29-19-12-20-30-48/h9-20,23-30,43-44,49-54,57-58,65-66H,5-8,21-22,31-42H2,1-4H3,(H,67,77)(H,68,78)(H,69,79)(H,70,80)/t43-,44-,49+,50+,51-,52-,53-,54-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12.9	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to BIR3 domain of cIAP1 by fluorescence polarization assay				J Med Chem 55: 106-14 (2012) Article DOI: 10.1021/jm201072x BindingDB Entry DOI: 10.7270/Q2BG2Q3B
					More data for this Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human))	BDBM50393634 (CHEMBL2158603) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)CCCCCCCCC(=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/C64H84N10O8/c1-43(65-3)59(77)67-51-41-71(39-37-49-33-35-53(73(49)63(51)81)61(79)69-57(45-23-13-9-14-24-45)46-25-15-10-16-26-46)55(75)31-21-7-5-6-8-22-32-56(76)72-40-38-50-34-36-54(74(50)64(82)52(42-72)68-60(78)44(2)66-4)62(80)70-58(47-27-17-11-18-28-47)48-29-19-12-20-30-48/h9-20,23-30,43-44,49-54,57-58,65-66H,5-8,21-22,31-42H2,1-4H3,(H,67,77)(H,68,78)(H,69,79)(H,70,80)/t43-,44-,49+,50+,51-,52-,53-,54-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	217	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to BIR3 domain of XIAP by fluorescence polarization assay				J Med Chem 55: 106-14 (2012) Article DOI: 10.1021/jm201072x BindingDB Entry DOI: 10.7270/Q2BG2Q3B
					More data for this Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human))	BDBM50393634 (CHEMBL2158603) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)CCCCCCCCC(=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/C64H84N10O8/c1-43(65-3)59(77)67-51-41-71(39-37-49-33-35-53(73(49)63(51)81)61(79)69-57(45-23-13-9-14-24-45)46-25-15-10-16-26-46)55(75)31-21-7-5-6-8-22-32-56(76)72-40-38-50-34-36-54(74(50)64(82)52(42-72)68-60(78)44(2)66-4)62(80)70-58(47-27-17-11-18-28-47)48-29-19-12-20-30-48/h9-20,23-30,43-44,49-54,57-58,65-66H,5-8,21-22,31-42H2,1-4H3,(H,67,77)(H,68,78)(H,69,79)(H,70,80)/t43-,44-,49+,50+,51-,52-,53-,54-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to BIR2-BIR3 domain of XIAP by fluorescence polarization assay				J Med Chem 55: 106-14 (2012) Article DOI: 10.1021/jm201072x BindingDB Entry DOI: 10.7270/Q2BG2Q3B
					More data for this Ligand-Target Pair