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Compile Data Set for Download or QSAR

Found 86 hits Enz. Inhib. hit(s) with Target = 'Baculoviral IAP repeat-containing protein 7'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM50588298
PNG
(CHEMBL5174454)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1cc(ccc1OC)S(F)(=O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2ccccc12 |r|
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185n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01459
BindingDB Entry DOI: 10.7270/Q2988C0R
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM50314480
PNG
((S)-N-((S)-1-cyclohexyl-2-oxo-2-((S)-2-(4-phenylth...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc2c(nccc2s1)-c1ccccc1 |r|
Show InChI InChI=1S/C28H35N5O2S/c1-18(29-2)26(34)31-24(20-12-7-4-8-13-20)28(35)33-17-9-14-21(33)27-32-25-22(36-27)15-16-30-23(25)19-10-5-3-6-11-19/h3,5-6,10-11,15-16,18,20-21,24,29H,4,7-9,12-14,17H2,1-2H3,(H,31,34)/t18-,21-,24-/m0/s1
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Similars

Article
PubMed
2.40E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...


Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM391804
PNG
(US10300074, Product 17a | US11111270, Compound 27)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@@H]2N(C(C(=O)N[C@@H]3CCCc4ccccc34)c3ccccc23)C1=O |r,w:13.13|
Show InChI InChI=1S/C27H32N4O4/c1-16(28-2)24(32)30-22-14-15-35-27-20-12-6-5-11-19(20)23(31(27)26(22)34)25(33)29-21-13-7-9-17-8-3-4-10-18(17)21/h3-6,8,10-12,16,21-23,27-28H,7,9,13-15H2,1-2H3,(H,29,33)(H,30,32)/t16-,21+,22-,23?,27-/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a



GSK



Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Bioorg Med Chem Lett 19: 1807-10 (2009)


BindingDB Entry DOI: 10.7270/Q25B04VG
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM391805
PNG
(US10300074, Product 17b)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r|
Show InChI InChI=1S/C25H36N4O4/c1-15(26-4)22(30)28-19-12-13-33-20-14-25(2,3)21(29(20)24(19)32)23(31)27-18-11-7-9-16-8-5-6-10-17(16)18/h5-6,8,10,15,18-21,26H,7,9,11-14H2,1-4H3,(H,27,31)(H,28,30)/t15-,18+,19-,20-,21?/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a



GSK



Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Bioorg Med Chem Lett 19: 1807-10 (2009)


BindingDB Entry DOI: 10.7270/Q25B04VG
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM391806
PNG
(US10300074, Product 17c | US11111270, Compound 35)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:16.21|
Show InChI InChI=1S/C25H36N4O3S/c1-15(26-4)22(30)28-19-12-13-33-20-14-25(2,3)21(29(20)24(19)32)23(31)27-18-11-7-9-16-8-5-6-10-17(16)18/h5-6,8,10,15,18-21,26H,7,9,11-14H2,1-4H3,(H,27,31)(H,28,30)/t15-,18+,19-,20-,21?/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a



GSK



Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Bioorg Med Chem Lett 19: 1807-10 (2009)


BindingDB Entry DOI: 10.7270/Q25B04VG
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM391814
PNG
(US10300074, Compd 10 | US11111270, Compound 10)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@@H](C)O[C@H]2CCC(N2C1=O)C(=O)NC1CCCc2ccccc12 |r,w:14.19|
Show InChI InChI=1S/C23H32N4O4/c1-13(24-3)21(28)26-20-14(2)31-19-12-11-18(27(19)23(20)30)22(29)25-17-10-6-8-15-7-4-5-9-16(15)17/h4-5,7,9,13-14,17-20,24H,6,8,10-12H2,1-3H3,(H,25,29)(H,26,28)/t13-,14+,17?,18?,19-,20-/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a



GSK



Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Bioorg Med Chem Lett 19: 1807-10 (2009)


BindingDB Entry DOI: 10.7270/Q25B04VG
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM391816
PNG
(US10300074, Compd 12 | US11111270, Compound 12)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CCC(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:14.19|
Show InChI InChI=1S/C23H32N4O4/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24H,5,7,9-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,17+,18-,19?,20-/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a



GSK



Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Bioorg Med Chem Lett 19: 1807-10 (2009)


BindingDB Entry DOI: 10.7270/Q25B04VG
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM391819
PNG
(US10300074, Compd 14 | US11111270, Compound 14)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CCC(N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r,w:14.19|
Show InChI InChI=1S/C26H32N4O4/c1-17(27-2)24(31)28-20-15-16-34-22-14-13-21(30(22)26(20)33)25(32)29-23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20-23,27H,13-16H2,1-2H3,(H,28,31)(H,29,32)/t17-,20-,21?,22-/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a



GSK



Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Bioorg Med Chem Lett 19: 1807-10 (2009)


BindingDB Entry DOI: 10.7270/Q25B04VG
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM391829
PNG
(US10300074, Compd 24)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CCC(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:18.19|
Show InChI InChI=1S/C23H32N4O3S/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24H,5,7,9-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,17+,18-,19?,20-/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a



GSK



Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Bioorg Med Chem Lett 19: 1807-10 (2009)


BindingDB Entry DOI: 10.7270/Q25B04VG
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM391831
PNG
(US10300074, Compd 26 | US11111270, Compound 26)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC(C)(C)[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r|
Show InChI InChI=1S/C25H36N4O4/c1-15(26-4)22(30)28-19-12-13-33-20-14-25(2,3)21(29(20)24(19)32)23(31)27-18-11-7-9-16-8-5-6-10-17(16)18/h5-6,8,10,15,18-21,26H,7,9,11-14H2,1-4H3,(H,27,31)(H,28,30)/t15-,18+,19-,20-,21+/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a



GSK



Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Bioorg Med Chem Lett 19: 1807-10 (2009)


BindingDB Entry DOI: 10.7270/Q25B04VG
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM391832
PNG
(US10300074, Compd 27)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@@H]2N(C(C(=O)N[C@@H]3CCCc4ccccc34)c3ccccc23)C1=O |r,w:14.13|
Show InChI InChI=1S/C27H32N4O4/c1-16(28-2)24(32)30-22-14-15-35-27-20-12-6-5-11-19(20)23(31(27)26(22)34)25(33)29-21-13-7-9-17-8-3-4-10-18(17)21/h3-6,8,10-12,16,21-23,27-28H,7,9,13-15H2,1-2H3,(H,29,33)(H,30,32)/t16-,21+,22-,23?,27-/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a



GSK



Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Bioorg Med Chem Lett 19: 1807-10 (2009)


BindingDB Entry DOI: 10.7270/Q25B04VG
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM391837
PNG
(US10300074, Compd 32 | US11111270, Compound 32)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCOc2ccccc12 |r|
Show InChI InChI=1S/C22H30N4O5/c1-13(23-2)20(27)25-16-10-12-31-19-8-7-17(26(19)22(16)29)21(28)24-15-9-11-30-18-6-4-3-5-14(15)18/h3-6,13,15-17,19,23H,7-12H2,1-2H3,(H,24,28)(H,25,27)/t13-,15+,16-,17-,19-/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a



GSK



Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Bioorg Med Chem Lett 19: 1807-10 (2009)


BindingDB Entry DOI: 10.7270/Q25B04VG
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM391838
PNG
(US10300074, Compd 33 | US11111270, Compound 33)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r|
Show InChI InChI=1S/C23H32N4O4/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24H,5,7,9-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,17+,18-,19-,20-/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a



GSK



Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Bioorg Med Chem Lett 19: 1807-10 (2009)


BindingDB Entry DOI: 10.7270/Q25B04VG
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM391839
PNG
(US10300074, Compd 34 | US11111270, Compound 34)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r|
Show InChI InChI=1S/C23H32N4O3S/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24H,5,7,9-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,17+,18-,19-,20-/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a



GSK



Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Bioorg Med Chem Lett 19: 1807-10 (2009)


BindingDB Entry DOI: 10.7270/Q25B04VG
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM391840
PNG
(US10300074, Compd 35 | US20230295181, Compound A)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:20.21|
Show InChI InChI=1S/C25H36N4O3S/c1-15(26-4)22(30)28-19-12-13-33-20-14-25(2,3)21(29(20)24(19)32)23(31)27-18-11-7-9-16-8-5-6-10-17(16)18/h5-6,8,10,15,18-21,26H,7,9,11-14H2,1-4H3,(H,27,31)(H,28,30)/t15-,18+,19-,20-,21?/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a



GSK



Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Bioorg Med Chem Lett 19: 1807-10 (2009)


BindingDB Entry DOI: 10.7270/Q25B04VG
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM391841
PNG
(US10300074, Compd 36 | US11111270, Compound 36)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CC[C@@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r|
Show InChI InChI=1S/C23H32N4O3S/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24H,5,7,9-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,17+,18-,19+,20-/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a



GSK



Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Bioorg Med Chem Lett 19: 1807-10 (2009)


BindingDB Entry DOI: 10.7270/Q25B04VG
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM391847
PNG
(US10300074, Compd 42)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC3(CC=CC3)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:22.24,c:15|
Show InChI InChI=1S/C27H36N4O4/c1-17(28-2)24(32)30-21-12-15-35-22-16-27(13-5-6-14-27)23(31(22)26(21)34)25(33)29-20-11-7-9-18-8-3-4-10-19(18)20/h3-6,8,10,17,20-23,28H,7,9,11-16H2,1-2H3,(H,29,33)(H,30,32)/t17-,20+,21-,22-,23?/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a



GSK



Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Bioorg Med Chem Lett 19: 1807-10 (2009)


BindingDB Entry DOI: 10.7270/Q25B04VG
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM391849
PNG
(US10300074, Compd 44)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1Cc2cc(O)c(O)cc2[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:26.28|
Show InChI InChI=1S/C30H38N4O5/c1-16(31-4)27(37)33-22-12-18-13-24(35)25(36)14-20(18)23-15-30(2,3)26(34(23)29(22)39)28(38)32-21-11-7-9-17-8-5-6-10-19(17)21/h5-6,8,10,13-14,16,21-23,26,31,35-36H,7,9,11-12,15H2,1-4H3,(H,32,38)(H,33,37)/t16-,21+,22-,23+,26?/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a



GSK



Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Bioorg Med Chem Lett 19: 1807-10 (2009)


BindingDB Entry DOI: 10.7270/Q25B04VG
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM391851
PNG
(US10300074, Compd 46 | US11111270, Compound 46)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CC(=O)N[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r|
Show InChI InChI=1S/C25H35N5O4/c1-14(26-4)22(32)28-18-12-20(31)29-19-13-25(2,3)21(30(19)24(18)34)23(33)27-17-11-7-9-15-8-5-6-10-16(15)17/h5-6,8,10,14,17-19,21,26H,7,9,11-13H2,1-4H3,(H,27,33)(H,28,32)(H,29,31)/t14-,17+,18-,19+,21?/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a



GSK



Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Bioorg Med Chem Lett 19: 1807-10 (2009)


BindingDB Entry DOI: 10.7270/Q25B04VG
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM391852
PNG
(US10300074, Compd 47)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1Cc2cc(O)ccc2[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:25.27|
Show InChI InChI=1S/C30H38N4O4/c1-17(31-4)27(36)33-24-15-19-14-20(35)12-13-22(19)25-16-30(2,3)26(34(25)29(24)38)28(37)32-23-11-7-9-18-8-5-6-10-21(18)23/h5-6,8,10,12-14,17,23-26,31,35H,7,9,11,15-16H2,1-4H3,(H,32,37)(H,33,36)/t17-,23+,24-,25+,26?/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a



GSK



Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Bioorg Med Chem Lett 19: 1807-10 (2009)


BindingDB Entry DOI: 10.7270/Q25B04VG
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM391814
PNG
(US10300074, Compd 10 | US11111270, Compound 10)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@@H](C)O[C@H]2CCC(N2C1=O)C(=O)NC1CCCc2ccccc12 |r,w:14.19|
Show InChI InChI=1S/C23H32N4O4/c1-13(24-3)21(28)26-20-14(2)31-19-12-11-18(27(19)23(20)30)22(29)25-17-10-6-8-15-7-4-5-9-16(15)17/h4-5,7,9,13-14,17-20,24H,6,8,10-12H2,1-3H3,(H,25,29)(H,26,28)/t13-,14+,17?,18?,19-,20-/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM391816
PNG
(US10300074, Compd 12 | US11111270, Compound 12)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CCC(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:14.19|
Show InChI InChI=1S/C23H32N4O4/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24H,5,7,9-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,17+,18-,19?,20-/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM391819
PNG
(US10300074, Compd 14 | US11111270, Compound 14)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CCC(N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r,w:14.19|
Show InChI InChI=1S/C26H32N4O4/c1-17(27-2)24(31)28-20-15-16-34-22-14-13-21(30(22)26(20)33)25(32)29-23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20-23,27H,13-16H2,1-2H3,(H,28,31)(H,29,32)/t17-,20-,21?,22-/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM518286
PNG
(US11111270, Compound 24)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CCC(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:14.19|
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<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM391831
PNG
(US10300074, Compd 26 | US11111270, Compound 26)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC(C)(C)[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r|
Show InChI InChI=1S/C25H36N4O4/c1-15(26-4)22(30)28-19-12-13-33-20-14-25(2,3)21(29(20)24(19)32)23(31)27-18-11-7-9-16-8-5-6-10-17(16)18/h5-6,8,10,15,18-21,26H,7,9,11-14H2,1-4H3,(H,27,31)(H,28,30)/t15-,18+,19-,20-,21+/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM391804
PNG
(US10300074, Product 17a | US11111270, Compound 27)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@@H]2N(C(C(=O)N[C@@H]3CCCc4ccccc34)c3ccccc23)C1=O |r,w:13.13|
Show InChI InChI=1S/C27H32N4O4/c1-16(28-2)24(32)30-22-14-15-35-27-20-12-6-5-11-19(20)23(31(27)26(22)34)25(33)29-21-13-7-9-17-8-3-4-10-18(17)21/h3-6,8,10-12,16,21-23,27-28H,7,9,13-15H2,1-2H3,(H,29,33)(H,30,32)/t16-,21+,22-,23?,27-/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM391837
PNG
(US10300074, Compd 32 | US11111270, Compound 32)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCOc2ccccc12 |r|
Show InChI InChI=1S/C22H30N4O5/c1-13(23-2)20(27)25-16-10-12-31-19-8-7-17(26(19)22(16)29)21(28)24-15-9-11-30-18-6-4-3-5-14(15)18/h3-6,13,15-17,19,23H,7-12H2,1-2H3,(H,24,28)(H,25,27)/t13-,15+,16-,17-,19-/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM391838
PNG
(US10300074, Compd 33 | US11111270, Compound 33)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r|
Show InChI InChI=1S/C23H32N4O4/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24H,5,7,9-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,17+,18-,19-,20-/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM391839
PNG
(US10300074, Compd 34 | US11111270, Compound 34)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r|
Show InChI InChI=1S/C23H32N4O3S/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24H,5,7,9-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,17+,18-,19-,20-/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM391806
PNG
(US10300074, Product 17c | US11111270, Compound 35)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:16.21|
Show InChI InChI=1S/C25H36N4O3S/c1-15(26-4)22(30)28-19-12-13-33-20-14-25(2,3)21(29(20)24(19)32)23(31)27-18-11-7-9-16-8-5-6-10-17(16)18/h5-6,8,10,15,18-21,26H,7,9,11-14H2,1-4H3,(H,27,31)(H,28,30)/t15-,18+,19-,20-,21?/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM391841
PNG
(US10300074, Compd 36 | US11111270, Compound 36)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CC[C@@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r|
Show InChI InChI=1S/C23H32N4O3S/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24H,5,7,9-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,17+,18-,19+,20-/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM518377
PNG
(US11111270, Compound 42)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC3(CC=CC3)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:18.24,c:15|
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<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM518379
PNG
(US11111270, Compound 44)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1Cc2ccc(O)c(O)c2[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:22.28|
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<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM391851
PNG
(US10300074, Compd 46 | US11111270, Compound 46)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CC(=O)N[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r|
Show InChI InChI=1S/C25H35N5O4/c1-14(26-4)22(32)28-18-12-20(31)29-19-13-25(2,3)21(30(19)24(18)34)23(33)27-17-11-7-9-15-8-5-6-10-16(15)17/h5-6,8,10,14,17-19,21,26H,7,9,11-13H2,1-4H3,(H,27,33)(H,28,32)(H,29,31)/t14-,17+,18-,19+,21?/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM518384
PNG
(US11111270, Compound 47)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1Cc2cccc(O)c2[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:21.27|
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<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM50314479
PNG
((S)-N-((S)-1-cyclohexyl-2-((S)-2-(5-methyl-7-pheny...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc2c(nc(C)nc2s1)-c1ccccc1 |r|
Show InChI InChI=1S/C28H36N6O2S/c1-17(29-3)25(35)32-23(20-13-8-5-9-14-20)28(36)34-16-10-15-21(34)26-33-24-22(19-11-6-4-7-12-19)30-18(2)31-27(24)37-26/h4,6-7,11-12,17,20-21,23,29H,5,8-10,13-16H2,1-3H3,(H,32,35)/t17-,21-,23-/m0/s1
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3.20E+4n/an/an/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...


Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM50314476
PNG
((S)-N-((S)-1-cyclohexyl-2-oxo-2-((S)-2-(7-phenylth...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc2c(ccnc2s1)-c1ccccc1 |r|
Show InChI InChI=1S/C28H35N5O2S/c1-18(29-2)25(34)31-23(20-12-7-4-8-13-20)28(35)33-17-9-14-22(33)26-32-24-21(15-16-30-27(24)36-26)19-10-5-3-6-11-19/h3,5-6,10-11,15-16,18,20,22-23,29H,4,7-9,12-14,17H2,1-2H3,(H,31,34)/t18-,22-,23-/m0/s1
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3.60E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...


Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM50314451
PNG
((S)-N-((S)-2-((S)-2-(4-(4-fluoronaphthalen-1-yl)th...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1CCC[C@H]1c1nc(cs1)-c1ccc(F)c2ccccc12 |r|
Show InChI InChI=1S/C28H33FN4O3S/c1-17(30-2)26(34)32-25(18-11-14-36-15-12-18)28(35)33-13-5-8-24(33)27-31-23(16-37-27)21-9-10-22(29)20-7-4-3-6-19(20)21/h3-4,6-7,9-10,16-18,24-25,30H,5,8,11-15H2,1-2H3,(H,32,34)/t17-,24-,25-/m0/s1
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4.00E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...


Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM50314475
PNG
((S)-N-((S)-1-cyclohexyl-2-((S)-2-(4-(4-fluoropheny...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc2c(cccc2s1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C29H35FN4O2S/c1-18(31-2)27(35)32-25(20-8-4-3-5-9-20)29(36)34-17-7-11-23(34)28-33-26-22(10-6-12-24(26)37-28)19-13-15-21(30)16-14-19/h6,10,12-16,18,20,23,25,31H,3-5,7-9,11,17H2,1-2H3,(H,32,35)/t18-,23-,25-/m0/s1
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4.40E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...


Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM50314452
PNG
((S)-N-((S)-1-cyclohexyl-2-oxo-2-((S)-2-(4-(quinoli...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)-c1ccnc2ccccc12 |r|
Show InChI InChI=1S/C28H35N5O2S/c1-18(29-2)26(34)32-25(19-9-4-3-5-10-19)28(35)33-16-8-13-24(33)27-31-23(17-36-27)21-14-15-30-22-12-7-6-11-20(21)22/h6-7,11-12,14-15,17-19,24-25,29H,3-5,8-10,13,16H2,1-2H3,(H,32,34)/t18-,24-,25-/m0/s1
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4.50E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...


Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM50314477
PNG
((S)-N-((S)-1-cyclohexyl-2-oxo-2-((S)-2-(7-phenylth...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc2c(cncc2s1)-c1ccccc1 |r|
Show InChI InChI=1S/C28H35N5O2S/c1-18(29-2)26(34)31-24(20-12-7-4-8-13-20)28(35)33-15-9-14-22(33)27-32-25-21(16-30-17-23(25)36-27)19-10-5-3-6-11-19/h3,5-6,10-11,16-18,20,22,24,29H,4,7-9,12-15H2,1-2H3,(H,31,34)/t18-,22-,24-/m0/s1
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4.90E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...


Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM50314467
PNG
((S)-N-((S)-1-cyclohexyl-2-oxo-2-((S)-2-(4-phenylbe...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc2c(cccc2s1)-c1ccccc1 |r|
Show InChI InChI=1S/C29H36N4O2S/c1-19(30-2)27(34)31-25(21-13-7-4-8-14-21)29(35)33-18-10-16-23(33)28-32-26-22(15-9-17-24(26)36-28)20-11-5-3-6-12-20/h3,5-6,9,11-12,15,17,19,21,23,25,30H,4,7-8,10,13-14,16,18H2,1-2H3,(H,31,34)/t19-,23-,25-/m0/s1
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5.30E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...


Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM50314472
PNG
((S)-N-((S)-2-((S)-2-(4-(4-chlorophenyl)benzo[d]thi...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc2c(cccc2s1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H35ClN4O2S/c1-18(31-2)27(35)32-25(20-8-4-3-5-9-20)29(36)34-17-7-11-23(34)28-33-26-22(10-6-12-24(26)37-28)19-13-15-21(30)16-14-19/h6,10,12-16,18,20,23,25,31H,3-5,7-9,11,17H2,1-2H3,(H,32,35)/t18-,23-,25-/m0/s1
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6.80E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...


Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM50314457
PNG
((2S)-N-((1S)-2-((2S)-2-(5-fluoro-4-(naphthalen-1-y...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1CCC[C@H]1c1nc(c(F)s1)-c1cccc2ccccc12 |r|
Show InChI InChI=1S/C28H33FN4O3S/c1-17(30-2)26(34)31-23(19-12-15-36-16-13-19)28(35)33-14-6-11-22(33)27-32-24(25(29)37-27)21-10-5-8-18-7-3-4-9-20(18)21/h3-5,7-10,17,19,22-23,30H,6,11-16H2,1-2H3,(H,31,34)/t17-,22-,23-/m0/s1
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6.80E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...


Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM50314450
PNG
((S)-N-((S)-1-cyclohexyl-2-((S)-2-(4-(4-fluoronapht...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)-c1ccc(F)c2ccccc12 |r|
Show InChI InChI=1S/C29H35FN4O2S/c1-18(31-2)27(35)33-26(19-9-4-3-5-10-19)29(36)34-16-8-13-25(34)28-32-24(17-37-28)22-14-15-23(30)21-12-7-6-11-20(21)22/h6-7,11-12,14-15,17-19,25-26,31H,3-5,8-10,13,16H2,1-2H3,(H,33,35)/t18-,25-,26-/m0/s1
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6.80E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...


Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM50314459
PNG
((2S)-N-((1S)-2-((2S)-2-(5-cyano-4-(naphthalen-1-yl...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1CCC[C@H]1c1nc(c(s1)C#N)-c1cccc2ccccc12 |r|
Show InChI InChI=1S/C29H33N5O3S/c1-18(31-2)27(35)32-25(20-12-15-37-16-13-20)29(36)34-14-6-11-23(34)28-33-26(24(17-30)38-28)22-10-5-8-19-7-3-4-9-21(19)22/h3-5,7-10,18,20,23,25,31H,6,11-16H2,1-2H3,(H,32,35)/t18-,23-,25-/m0/s1
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6.90E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...


Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM50314449
PNG
((S)-2-(methylamino)-N-((S)-2-((S)-2-(4-(naphthalen...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1CCC[C@H]1c1nc(cs1)-c1cccc2ccccc12 |r|
Show InChI InChI=1S/C28H34N4O3S/c1-18(29-2)26(33)31-25(20-12-15-35-16-13-20)28(34)32-14-6-11-24(32)27-30-23(17-36-27)22-10-5-8-19-7-3-4-9-21(19)22/h3-5,7-10,17-18,20,24-25,29H,6,11-16H2,1-2H3,(H,31,33)/t18-,24-,25-/m0/s1
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1.00E+5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...


Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM50314448
PNG
((S)-N-((S)-1-cyclohexyl-2-((S)-2-(4-(naphthalen-1-...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)-c1cccc2ccccc12 |r|
Show InChI InChI=1S/C29H36N4O2S/c1-19(30-2)27(34)32-26(21-11-4-3-5-12-21)29(35)33-17-9-16-25(33)28-31-24(18-36-28)23-15-8-13-20-10-6-7-14-22(20)23/h6-8,10,13-15,18-19,21,25-26,30H,3-5,9,11-12,16-17H2,1-2H3,(H,32,34)/t19-,25-,26-/m0/s1
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1.10E+5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...


Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM50314456
PNG
((S)-N-((S)-1-((S)-2-(4-(benzo[b]thiophen-3-yl)thia...)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(cs1)-c1csc2ccccc12)C(C)(C)C |r|
Show InChI InChI=1S/C25H32N4O2S2/c1-15(26-5)22(30)28-21(25(2,3)4)24(31)29-12-8-10-19(29)23-27-18(14-33-23)17-13-32-20-11-7-6-9-16(17)20/h6-7,9,11,13-15,19,21,26H,8,10,12H2,1-5H3,(H,28,30)/t15-,19-,21+/m0/s1
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1.20E+5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...


Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM50314455
PNG
((S)-N-((S)-2-((S)-2-(4-(benzo[d]isoxazol-3-yl)thia...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)-c1noc2ccccc12 |r|
Show InChI InChI=1S/C26H33N5O3S/c1-16(27-2)24(32)29-22(17-9-4-3-5-10-17)26(33)31-14-8-12-20(31)25-28-19(15-35-25)23-18-11-6-7-13-21(18)34-30-23/h6-7,11,13,15-17,20,22,27H,3-5,8-10,12,14H2,1-2H3,(H,29,32)/t16-,20-,22-/m0/s1
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1.30E+5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...


Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
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