BDBM50393635 CHEMBL2158604

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)CCCCCCCCCCC(=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=DXCPTXCRBFZDAZ-JRNDJQCJSA-N

Data: 4 KI  4 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 10 hits for monomerid = 50393635   

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))	BDBM50393635 (CHEMBL2158604) 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)CCCCCCCCCCC(=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/C66H88N10O8/c1-45(67-3)61(79)69-53-43-73(41-39-51-35-37-55(75(51)65(53)83)63(81)71-59(47-25-15-11-16-26-47)48-27-17-12-18-28-48)57(77)33-23-9-7-5-6-8-10-24-34-58(78)74-42-40-52-36-38-56(76(52)66(84)54(44-74)70-62(80)46(2)68-4)64(82)72-60(49-29-19-13-20-30-49)50-31-21-14-22-32-50/h11-22,25-32,45-46,51-56,59-60,67-68H,5-10,23-24,33-44H2,1-4H3,(H,69,79)(H,70,80)(H,71,81)(H,72,82)/t45-,46-,51+,52+,53-,54-,55-,56-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	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))	BDBM50393635 (CHEMBL2158604) 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)CCCCCCCCCCC(=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/C66H88N10O8/c1-45(67-3)61(79)69-53-43-73(41-39-51-35-37-55(75(51)65(53)83)63(81)71-59(47-25-15-11-16-26-47)48-27-17-12-18-28-48)57(77)33-23-9-7-5-6-8-10-24-34-58(78)74-42-40-52-36-38-56(76(52)66(84)54(44-74)70-62(80)46(2)68-4)64(82)72-60(49-29-19-13-20-30-49)50-31-21-14-22-32-50/h11-22,25-32,45-46,51-56,59-60,67-68H,5-10,23-24,33-44H2,1-4H3,(H,69,79)(H,70,80)(H,71,81)(H,72,82)/t45-,46-,51+,52+,53-,54-,55-,56-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 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))	BDBM50393635 (CHEMBL2158604) 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)CCCCCCCCCCC(=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/C66H88N10O8/c1-45(67-3)61(79)69-53-43-73(41-39-51-35-37-55(75(51)65(53)83)63(81)71-59(47-25-15-11-16-26-47)48-27-17-12-18-28-48)57(77)33-23-9-7-5-6-8-10-24-34-58(78)74-42-40-52-36-38-56(76(52)66(84)54(44-74)70-62(80)46(2)68-4)64(82)72-60(49-29-19-13-20-30-49)50-31-21-14-22-32-50/h11-22,25-32,45-46,51-56,59-60,67-68H,5-10,23-24,33-44H2,1-4H3,(H,69,79)(H,70,80)(H,71,81)(H,72,82)/t45-,46-,51+,52+,53-,54-,55-,56-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.90	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))	BDBM50393635 (CHEMBL2158604) 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)CCCCCCCCCCC(=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/C66H88N10O8/c1-45(67-3)61(79)69-53-43-73(41-39-51-35-37-55(75(51)65(53)83)63(81)71-59(47-25-15-11-16-26-47)48-27-17-12-18-28-48)57(77)33-23-9-7-5-6-8-10-24-34-58(78)74-42-40-52-36-38-56(76(52)66(84)54(44-74)70-62(80)46(2)68-4)64(82)72-60(49-29-19-13-20-30-49)50-31-21-14-22-32-50/h11-22,25-32,45-46,51-56,59-60,67-68H,5-10,23-24,33-44H2,1-4H3,(H,69,79)(H,70,80)(H,71,81)(H,72,82)/t45-,46-,51+,52+,53-,54-,55-,56-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	98	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))	BDBM50393635 (CHEMBL2158604) 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)CCCCCCCCCCC(=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/C66H88N10O8/c1-45(67-3)61(79)69-53-43-73(41-39-51-35-37-55(75(51)65(53)83)63(81)71-59(47-25-15-11-16-26-47)48-27-17-12-18-28-48)57(77)33-23-9-7-5-6-8-10-24-34-58(78)74-42-40-52-36-38-56(76(52)66(84)54(44-74)70-62(80)46(2)68-4)64(82)72-60(49-29-19-13-20-30-49)50-31-21-14-22-32-50/h11-22,25-32,45-46,51-56,59-60,67-68H,5-10,23-24,33-44H2,1-4H3,(H,69,79)(H,70,80)(H,71,81)(H,72,82)/t45-,46-,51+,52+,53-,54-,55-,56-/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	17.7	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
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human))	BDBM50393635 (CHEMBL2158604) 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)CCCCCCCCCCC(=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/C66H88N10O8/c1-45(67-3)61(79)69-53-43-73(41-39-51-35-37-55(75(51)65(53)83)63(81)71-59(47-25-15-11-16-26-47)48-27-17-12-18-28-48)57(77)33-23-9-7-5-6-8-10-24-34-58(78)74-42-40-52-36-38-56(76(52)66(84)54(44-74)70-62(80)46(2)68-4)64(82)72-60(49-29-19-13-20-30-49)50-31-21-14-22-32-50/h11-22,25-32,45-46,51-56,59-60,67-68H,5-10,23-24,33-44H2,1-4H3,(H,69,79)(H,70,80)(H,71,81)(H,72,82)/t45-,46-,51+,52+,53-,54-,55-,56-/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	1.00E+3	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))	BDBM50393635 (CHEMBL2158604) 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)CCCCCCCCCCC(=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/C66H88N10O8/c1-45(67-3)61(79)69-53-43-73(41-39-51-35-37-55(75(51)65(53)83)63(81)71-59(47-25-15-11-16-26-47)48-27-17-12-18-28-48)57(77)33-23-9-7-5-6-8-10-24-34-58(78)74-42-40-52-36-38-56(76(52)66(84)54(44-74)70-62(80)46(2)68-4)64(82)72-60(49-29-19-13-20-30-49)50-31-21-14-22-32-50/h11-22,25-32,45-46,51-56,59-60,67-68H,5-10,23-24,33-44H2,1-4H3,(H,69,79)(H,70,80)(H,71,81)(H,72,82)/t45-,46-,51+,52+,53-,54-,55-,56-/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	29	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))	BDBM50393635 (CHEMBL2158604) 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)CCCCCCCCCCC(=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/C66H88N10O8/c1-45(67-3)61(79)69-53-43-73(41-39-51-35-37-55(75(51)65(53)83)63(81)71-59(47-25-15-11-16-26-47)48-27-17-12-18-28-48)57(77)33-23-9-7-5-6-8-10-24-34-58(78)74-42-40-52-36-38-56(76(52)66(84)54(44-74)70-62(80)46(2)68-4)64(82)72-60(49-29-19-13-20-30-49)50-31-21-14-22-32-50/h11-22,25-32,45-46,51-56,59-60,67-68H,5-10,23-24,33-44H2,1-4H3,(H,69,79)(H,70,80)(H,71,81)(H,72,82)/t45-,46-,51+,52+,53-,54-,55-,56-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12.4	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))	BDBM50393635 (CHEMBL2158604) 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)CCCCCCCCCCC(=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/C66H88N10O8/c1-45(67-3)61(79)69-53-43-73(41-39-51-35-37-55(75(51)65(53)83)63(81)71-59(47-25-15-11-16-26-47)48-27-17-12-18-28-48)57(77)33-23-9-7-5-6-8-10-24-34-58(78)74-42-40-52-36-38-56(76(52)66(84)54(44-74)70-62(80)46(2)68-4)64(82)72-60(49-29-19-13-20-30-49)50-31-21-14-22-32-50/h11-22,25-32,45-46,51-56,59-60,67-68H,5-10,23-24,33-44H2,1-4H3,(H,69,79)(H,70,80)(H,71,81)(H,72,82)/t45-,46-,51+,52+,53-,54-,55-,56-/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	289	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))	BDBM50393635 (CHEMBL2158604) 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)CCCCCCCCCCC(=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/C66H88N10O8/c1-45(67-3)61(79)69-53-43-73(41-39-51-35-37-55(75(51)65(53)83)63(81)71-59(47-25-15-11-16-26-47)48-27-17-12-18-28-48)57(77)33-23-9-7-5-6-8-10-24-34-58(78)74-42-40-52-36-38-56(76(52)66(84)54(44-74)70-62(80)46(2)68-4)64(82)72-60(49-29-19-13-20-30-49)50-31-21-14-22-32-50/h11-22,25-32,45-46,51-56,59-60,67-68H,5-10,23-24,33-44H2,1-4H3,(H,69,79)(H,70,80)(H,71,81)(H,72,82)/t45-,46-,51+,52+,53-,54-,55-,56-/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	19	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