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Compile Data Set for Download or QSAR

Found 36 hits from CISI scrl   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50365850
PNG
(CHEMBL1957020)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2cccc(F)c2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H46FN5O3/c1-3-31(39-2)35(44)42-34-28(21-22-40-24-25-11-10-16-29(38)23-25)17-18-30-19-20-32(43(30)37(34)46)36(45)41-33(26-12-6-4-7-13-26)27-14-8-5-9-15-27/h4-16,23,28,30-34,39-40H,3,17-22,24H2,1-2H3,(H,41,45)(H,42,44)/t28-,30+,31+,32+,34+/m1/s1
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n/an/a<2n/an/an/an/an/an/a



CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from human recombinant His-tagged-cIAP1 BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50365843
PNG
(CHEMBL1957107)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2ccc(N)cc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H48N6O3/c1-3-31(39-2)35(44)42-34-28(22-23-40-24-25-14-17-29(38)18-15-25)16-19-30-20-21-32(43(30)37(34)46)36(45)41-33(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-15,17-18,28,30-34,39-40H,3,16,19-24,38H2,1-2H3,(H,41,45)(H,42,44)/t28-,30+,31+,32+,34+/m1/s1
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CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from human recombinant His-tagged-cIAP1 BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50365847
PNG
(CHEMBL1957024)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2ccc(cc2)C(F)(F)F)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C38H46F3N5O3/c1-3-31(42-2)35(47)45-34-28(22-23-43-24-25-14-17-29(18-15-25)38(39,40)41)16-19-30-20-21-32(46(30)37(34)49)36(48)44-33(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-15,17-18,28,30-34,42-43H,3,16,19-24H2,1-2H3,(H,44,48)(H,45,47)/t28-,30+,31+,32+,34+/m1/s1
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CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from human recombinant His-tagged-cIAP1 BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50365848
PNG
(CHEMBL1957023)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2cc(F)cc(F)c2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H45F2N5O3/c1-3-31(40-2)35(45)43-34-27(18-19-41-23-24-20-28(38)22-29(39)21-24)14-15-30-16-17-32(44(30)37(34)47)36(46)42-33(25-10-6-4-7-11-25)26-12-8-5-9-13-26/h4-13,20-22,27,30-34,40-41H,3,14-19,23H2,1-2H3,(H,42,46)(H,43,45)/t27-,30+,31+,32+,34+/m1/s1
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n/an/a<2n/an/an/an/an/an/a



CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from human recombinant His-tagged-cIAP1 BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50365849
PNG
(CHEMBL1957021)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2ccc(F)cc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H46FN5O3/c1-3-31(39-2)35(44)42-34-28(22-23-40-24-25-14-17-29(38)18-15-25)16-19-30-20-21-32(43(30)37(34)46)36(45)41-33(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-15,17-18,28,30-34,39-40H,3,16,19-24H2,1-2H3,(H,41,45)(H,42,44)/t28-,30+,31+,32+,34+/m1/s1
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n/an/a<2n/an/an/an/an/an/a



CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from human recombinant His-tagged-cIAP1 BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50365844
PNG
(CHEMBL1957106)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2ccc(cc2)C(=O)OC)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C39H49N5O5/c1-4-32(40-2)36(45)43-35-29(23-24-41-25-26-15-17-30(18-16-26)39(48)49-3)19-20-31-21-22-33(44(31)38(35)47)37(46)42-34(27-11-7-5-8-12-27)28-13-9-6-10-14-28/h5-18,29,31-35,40-41H,4,19-25H2,1-3H3,(H,42,46)(H,43,45)/t29-,31+,32+,33+,35+/m1/s1
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CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from human recombinant His-tagged-cIAP1 BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50365835
PNG
(CHEMBL1957018)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2ccc(Cl)cc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H46ClN5O3/c1-3-31(39-2)35(44)42-34-28(22-23-40-24-25-14-17-29(38)18-15-25)16-19-30-20-21-32(43(30)37(34)46)36(45)41-33(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-15,17-18,28,30-34,39-40H,3,16,19-24H2,1-2H3,(H,41,45)(H,42,44)/t28-,30+,31+,32+,34+/m1/s1
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n/an/a<2n/an/an/an/an/an/a



CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from human recombinant His-tagged-cIAP1 BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50365845
PNG
(CHEMBL1957105)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2ccc(cc2)[N+]([O-])=O)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H46N6O5/c1-3-31(38-2)35(44)41-34-28(22-23-39-24-25-14-17-30(18-15-25)43(47)48)16-19-29-20-21-32(42(29)37(34)46)36(45)40-33(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-15,17-18,28-29,31-34,38-39H,3,16,19-24H2,1-2H3,(H,40,45)(H,41,44)/t28-,29+,31+,32+,34+/m1/s1
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n/an/a<2n/an/an/an/an/an/a



CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from human recombinant His-tagged-cIAP1 BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50365841
PNG
(CHEMBL575256)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H47N5O3/c1-3-31(38-2)35(43)41-34-29(23-24-39-25-26-13-7-4-8-14-26)19-20-30-21-22-32(42(30)37(34)45)36(44)40-33(27-15-9-5-10-16-27)28-17-11-6-12-18-28/h4-18,29-34,38-39H,3,19-25H2,1-2H3,(H,40,44)(H,41,43)/t29-,30+,31+,32+,34+/m1/s1
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n/an/a<2n/an/an/an/an/an/a



CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from human recombinant His-tagged-cIAP1 BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50365851
PNG
(CHEMBL1957019)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2ccccc2F)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H46FN5O3/c1-3-31(39-2)35(44)42-34-27(22-23-40-24-28-16-10-11-17-30(28)38)18-19-29-20-21-32(43(29)37(34)46)36(45)41-33(25-12-6-4-7-13-25)26-14-8-5-9-15-26/h4-17,27,29,31-34,39-40H,3,18-24H2,1-2H3,(H,41,45)(H,42,44)/t27-,29+,31+,32+,34+/m1/s1
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CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from human recombinant His-tagged-cIAP1 BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50365837
PNG
(CHEMBL1957016)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2ccccc2Cl)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H46ClN5O3/c1-3-31(39-2)35(44)42-34-27(22-23-40-24-28-16-10-11-17-30(28)38)18-19-29-20-21-32(43(29)37(34)46)36(45)41-33(25-12-6-4-7-13-25)26-14-8-5-9-15-26/h4-17,27,29,31-34,39-40H,3,18-24H2,1-2H3,(H,41,45)(H,42,44)/t27-,29+,31+,32+,34+/m1/s1
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n/an/a<2n/an/an/an/an/an/a



CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from human recombinant His-tagged-cIAP1 BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50365846
PNG
(CHEMBL1957026)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2ccc(OC)cc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C38H49N5O4/c1-4-32(39-2)36(44)42-35-29(23-24-40-25-26-15-20-31(47-3)21-16-26)17-18-30-19-22-33(43(30)38(35)46)37(45)41-34(27-11-7-5-8-12-27)28-13-9-6-10-14-28/h5-16,20-21,29-30,32-35,39-40H,4,17-19,22-25H2,1-3H3,(H,41,45)(H,42,44)/t29-,30+,32+,33+,35+/m1/s1
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CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from human recombinant His-tagged-cIAP1 BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50365836
PNG
(CHEMBL1957017)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2cccc(Cl)c2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H46ClN5O3/c1-3-31(39-2)35(44)42-34-28(21-22-40-24-25-11-10-16-29(38)23-25)17-18-30-19-20-32(43(30)37(34)46)36(45)41-33(26-12-6-4-7-13-26)27-14-8-5-9-15-27/h4-16,23,28,30-34,39-40H,3,17-22,24H2,1-2H3,(H,41,45)(H,42,44)/t28-,30+,31+,32+,34+/m1/s1
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CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from human recombinant His-tagged-cIAP1 BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50365839
PNG
(CHEMBL1957014)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2cccc(C)c2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C38H49N5O3/c1-4-32(39-3)36(44)42-35-30(22-23-40-25-27-13-11-12-26(2)24-27)18-19-31-20-21-33(43(31)38(35)46)37(45)41-34(28-14-7-5-8-15-28)29-16-9-6-10-17-29/h5-17,24,30-35,39-40H,4,18-23,25H2,1-3H3,(H,41,45)(H,42,44)/t30-,31+,32+,33+,35+/m1/s1
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CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from human recombinant His-tagged-cIAP1 BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50365838
PNG
(CHEMBL1957015)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2ccc(C)cc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C38H49N5O3/c1-4-32(39-3)36(44)42-35-30(23-24-40-25-27-17-15-26(2)16-18-27)19-20-31-21-22-33(43(31)38(35)46)37(45)41-34(28-11-7-5-8-12-28)29-13-9-6-10-14-29/h5-18,30-35,39-40H,4,19-25H2,1-3H3,(H,41,45)(H,42,44)/t30-,31+,32+,33+,35+/m1/s1
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CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from human recombinant His-tagged-cIAP1 BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50365840
PNG
(CHEMBL1957013)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2ccccc2C)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C38H49N5O3/c1-4-32(39-3)36(44)42-35-29(23-24-40-25-30-18-12-11-13-26(30)2)19-20-31-21-22-33(43(31)38(35)46)37(45)41-34(27-14-7-5-8-15-27)28-16-9-6-10-17-28/h5-18,29,31-35,39-40H,4,19-25H2,1-3H3,(H,41,45)(H,42,44)/t29-,31+,32+,33+,35+/m1/s1
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n/an/a<2n/an/an/an/an/an/a



CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from human recombinant His-tagged-cIAP1 BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50365842
PNG
(CHEMBL1957022)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2cc(Cl)cc(Cl)c2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H45Cl2N5O3/c1-3-31(40-2)35(45)43-34-27(18-19-41-23-24-20-28(38)22-29(39)21-24)14-15-30-16-17-32(44(30)37(34)47)36(46)42-33(25-10-6-4-7-11-25)26-12-8-5-9-13-26/h4-13,20-22,27,30-34,40-41H,3,14-19,23H2,1-2H3,(H,42,46)(H,43,45)/t27-,30+,31+,32+,34+/m1/s1
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n/an/a 2.60n/an/an/an/an/an/a



CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from human recombinant His-tagged-cIAP1 BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50365834
PNG
(CHEMBL1957025)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2ccc(cc2)C(C)(C)C)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C41H55N5O3/c1-6-34(42-5)38(47)45-37-31(25-26-43-27-28-17-20-32(21-18-28)41(2,3)4)19-22-33-23-24-35(46(33)40(37)49)39(48)44-36(29-13-9-7-10-14-29)30-15-11-8-12-16-30/h7-18,20-21,31,33-37,42-43H,6,19,22-27H2,1-5H3,(H,44,48)(H,45,47)/t31-,33+,34+,35+,37+/m1/s1
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n/an/a 3.30n/an/an/an/an/an/a



CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from human recombinant His-tagged-cIAP1 BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50365849
PNG
(CHEMBL1957021)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2ccc(F)cc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H46FN5O3/c1-3-31(39-2)35(44)42-34-28(22-23-40-24-25-14-17-29(38)18-15-25)16-19-30-20-21-32(43(30)37(34)46)36(45)41-33(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-15,17-18,28,30-34,39-40H,3,16,19-24H2,1-2H3,(H,41,45)(H,42,44)/t28-,30+,31+,32+,34+/m1/s1
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n/an/a 41n/an/an/an/an/an/a



CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from recombinant human His-tagged-XIAP BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50365850
PNG
(CHEMBL1957020)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2cccc(F)c2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H46FN5O3/c1-3-31(39-2)35(44)42-34-28(21-22-40-24-25-11-10-16-29(38)23-25)17-18-30-19-20-32(43(30)37(34)46)36(45)41-33(26-12-6-4-7-13-26)27-14-8-5-9-15-27/h4-16,23,28,30-34,39-40H,3,17-22,24H2,1-2H3,(H,41,45)(H,42,44)/t28-,30+,31+,32+,34+/m1/s1
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n/an/a 44n/an/an/an/an/an/a



CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from recombinant human His-tagged-XIAP BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50365835
PNG
(CHEMBL1957018)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2ccc(Cl)cc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H46ClN5O3/c1-3-31(39-2)35(44)42-34-28(22-23-40-24-25-14-17-29(38)18-15-25)16-19-30-20-21-32(43(30)37(34)46)36(45)41-33(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-15,17-18,28,30-34,39-40H,3,16,19-24H2,1-2H3,(H,41,45)(H,42,44)/t28-,30+,31+,32+,34+/m1/s1
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n/an/a 47n/an/an/an/an/an/a



CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from recombinant human His-tagged-XIAP BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50365836
PNG
(CHEMBL1957017)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2cccc(Cl)c2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H46ClN5O3/c1-3-31(39-2)35(44)42-34-28(21-22-40-24-25-11-10-16-29(38)23-25)17-18-30-19-20-32(43(30)37(34)46)36(45)41-33(26-12-6-4-7-13-26)27-14-8-5-9-15-27/h4-16,23,28,30-34,39-40H,3,17-22,24H2,1-2H3,(H,41,45)(H,42,44)/t28-,30+,31+,32+,34+/m1/s1
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n/an/a 47n/an/an/an/an/an/a



CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from recombinant human His-tagged-XIAP BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50365839
PNG
(CHEMBL1957014)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2cccc(C)c2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C38H49N5O3/c1-4-32(39-3)36(44)42-35-30(22-23-40-25-27-13-11-12-26(2)24-27)18-19-31-20-21-33(43(31)38(35)46)37(45)41-34(28-14-7-5-8-15-28)29-16-9-6-10-17-29/h5-17,24,30-35,39-40H,4,18-23,25H2,1-3H3,(H,41,45)(H,42,44)/t30-,31+,32+,33+,35+/m1/s1
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n/an/a 52n/an/an/an/an/an/a



CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from recombinant human His-tagged-XIAP BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50365843
PNG
(CHEMBL1957107)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2ccc(N)cc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H48N6O3/c1-3-31(39-2)35(44)42-34-28(22-23-40-24-25-14-17-29(38)18-15-25)16-19-30-20-21-32(43(30)37(34)46)36(45)41-33(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-15,17-18,28,30-34,39-40H,3,16,19-24,38H2,1-2H3,(H,41,45)(H,42,44)/t28-,30+,31+,32+,34+/m1/s1
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n/an/a 52n/an/an/an/an/an/a



CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from recombinant human His-tagged-XIAP BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50365851
PNG
(CHEMBL1957019)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2ccccc2F)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H46FN5O3/c1-3-31(39-2)35(44)42-34-27(22-23-40-24-28-16-10-11-17-30(28)38)18-19-29-20-21-32(43(29)37(34)46)36(45)41-33(25-12-6-4-7-13-25)26-14-8-5-9-15-26/h4-17,27,29,31-34,39-40H,3,18-24H2,1-2H3,(H,41,45)(H,42,44)/t27-,29+,31+,32+,34+/m1/s1
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n/an/a 53n/an/an/an/an/an/a



CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from recombinant human His-tagged-XIAP BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50365844
PNG
(CHEMBL1957106)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2ccc(cc2)C(=O)OC)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C39H49N5O5/c1-4-32(40-2)36(45)43-35-29(23-24-41-25-26-15-17-30(18-16-26)39(48)49-3)19-20-31-21-22-33(44(31)38(35)47)37(46)42-34(27-11-7-5-8-12-27)28-13-9-6-10-14-28/h5-18,29,31-35,40-41H,4,19-25H2,1-3H3,(H,42,46)(H,43,45)/t29-,31+,32+,33+,35+/m1/s1
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n/an/a 57n/an/an/an/an/an/a



CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from recombinant human His-tagged-XIAP BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50365846
PNG
(CHEMBL1957026)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2ccc(OC)cc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C38H49N5O4/c1-4-32(39-2)36(44)42-35-29(23-24-40-25-26-15-20-31(47-3)21-16-26)17-18-30-19-22-33(43(30)38(35)46)37(45)41-34(27-11-7-5-8-12-27)28-13-9-6-10-14-28/h5-16,20-21,29-30,32-35,39-40H,4,17-19,22-25H2,1-3H3,(H,41,45)(H,42,44)/t29-,30+,32+,33+,35+/m1/s1
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n/an/a 57n/an/an/an/an/an/a



CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from recombinant human His-tagged-XIAP BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50365838
PNG
(CHEMBL1957015)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2ccc(C)cc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C38H49N5O3/c1-4-32(39-3)36(44)42-35-30(23-24-40-25-27-17-15-26(2)16-18-27)19-20-31-21-22-33(43(31)38(35)46)37(45)41-34(28-11-7-5-8-12-28)29-13-9-6-10-14-29/h5-18,30-35,39-40H,4,19-25H2,1-3H3,(H,41,45)(H,42,44)/t30-,31+,32+,33+,35+/m1/s1
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n/an/a 57n/an/an/an/an/an/a



CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from recombinant human His-tagged-XIAP BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50365840
PNG
(CHEMBL1957013)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2ccccc2C)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C38H49N5O3/c1-4-32(39-3)36(44)42-35-29(23-24-40-25-30-18-12-11-13-26(30)2)19-20-31-21-22-33(43(31)38(35)46)37(45)41-34(27-14-7-5-8-15-27)28-16-9-6-10-17-28/h5-18,29,31-35,39-40H,4,19-25H2,1-3H3,(H,41,45)(H,42,44)/t29-,31+,32+,33+,35+/m1/s1
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n/an/a 58n/an/an/an/an/an/a



CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from recombinant human His-tagged-XIAP BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50365845
PNG
(CHEMBL1957105)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2ccc(cc2)[N+]([O-])=O)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H46N6O5/c1-3-31(38-2)35(44)41-34-28(22-23-39-24-25-14-17-30(18-15-25)43(47)48)16-19-29-20-21-32(42(29)37(34)46)36(45)40-33(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-15,17-18,28-29,31-34,38-39H,3,16,19-24H2,1-2H3,(H,40,45)(H,41,44)/t28-,29+,31+,32+,34+/m1/s1
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n/an/a 58n/an/an/an/an/an/a



CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from recombinant human His-tagged-XIAP BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50365848
PNG
(CHEMBL1957023)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2cc(F)cc(F)c2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H45F2N5O3/c1-3-31(40-2)35(45)43-34-27(18-19-41-23-24-20-28(38)22-29(39)21-24)14-15-30-16-17-32(44(30)37(34)47)36(46)42-33(25-10-6-4-7-11-25)26-12-8-5-9-13-26/h4-13,20-22,27,30-34,40-41H,3,14-19,23H2,1-2H3,(H,42,46)(H,43,45)/t27-,30+,31+,32+,34+/m1/s1
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n/an/a 65n/an/an/an/an/an/a



CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from recombinant human His-tagged-XIAP BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50365837
PNG
(CHEMBL1957016)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2ccccc2Cl)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H46ClN5O3/c1-3-31(39-2)35(44)42-34-27(22-23-40-24-28-16-10-11-17-30(28)38)18-19-29-20-21-32(43(29)37(34)46)36(45)41-33(25-12-6-4-7-13-25)26-14-8-5-9-15-26/h4-17,27,29,31-34,39-40H,3,18-24H2,1-2H3,(H,41,45)(H,42,44)/t27-,29+,31+,32+,34+/m1/s1
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n/an/a 78n/an/an/an/an/an/a



CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from recombinant human His-tagged-XIAP BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50365841
PNG
(CHEMBL575256)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H47N5O3/c1-3-31(38-2)35(43)41-34-29(23-24-39-25-26-13-7-4-8-14-26)19-20-30-21-22-32(42(30)37(34)45)36(44)40-33(27-15-9-5-10-16-27)28-17-11-6-12-18-28/h4-18,29-34,38-39H,3,19-25H2,1-2H3,(H,40,44)(H,41,43)/t29-,30+,31+,32+,34+/m1/s1
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n/an/a 110n/an/an/an/an/an/a



CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from recombinant human His-tagged-XIAP BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50365847
PNG
(CHEMBL1957024)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2ccc(cc2)C(F)(F)F)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C38H46F3N5O3/c1-3-31(42-2)35(47)45-34-28(22-23-43-24-25-14-17-29(18-15-25)38(39,40)41)16-19-30-20-21-32(46(30)37(34)49)36(48)44-33(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-15,17-18,28,30-34,42-43H,3,16,19-24H2,1-2H3,(H,44,48)(H,45,47)/t28-,30+,31+,32+,34+/m1/s1
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n/an/a 111n/an/an/an/an/an/a



CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from recombinant human His-tagged-XIAP BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50365834
PNG
(CHEMBL1957025)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2ccc(cc2)C(C)(C)C)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C41H55N5O3/c1-6-34(42-5)38(47)45-37-31(25-26-43-27-28-17-20-32(21-18-28)41(2,3)4)19-22-33-23-24-35(46(33)40(37)49)39(48)44-36(29-13-9-7-10-14-29)30-15-11-8-12-16-30/h7-18,20-21,31,33-37,42-43H,6,19,22-27H2,1-5H3,(H,44,48)(H,45,47)/t31-,33+,34+,35+,37+/m1/s1
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n/an/a 181n/an/an/an/an/an/a



CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from recombinant human His-tagged-XIAP BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50365842
PNG
(CHEMBL1957022)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2cc(Cl)cc(Cl)c2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H45Cl2N5O3/c1-3-31(40-2)35(45)43-34-27(18-19-41-23-24-20-28(38)22-29(39)21-24)14-15-30-16-17-32(44(30)37(34)47)36(46)42-33(25-10-6-4-7-11-25)26-12-8-5-9-13-26/h4-13,20-22,27,30-34,40-41H,3,14-19,23H2,1-2H3,(H,42,46)(H,43,45)/t27-,30+,31+,32+,34+/m1/s1
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n/an/a 198n/an/an/an/an/an/a



CISI scrl

Curated by ChEMBL


Assay Description
Displacement of AbuRPF-K(5-Fam)-NH2 from recombinant human His-tagged-XIAP BIR3 domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 2204-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.098
BindingDB Entry DOI: 10.7270/Q2VT1SK5
More data for this
Ligand-Target Pair