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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Baculoviral IAP repeat-containing protein 8' AND taxid = 9606   
Target
(Institution)
LigandTarget
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 8


(Homo sapiens)
BDBM26218
PNG
((3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methyla...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H36N4O3/c1-19(29-2)26(33)30-23-16-10-9-15-22-17-18-24(32(22)28(23)35)27(34)31-25(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,19,22-25,29H,9-10,15-18H2,1-2H3,(H,30,33)(H,31,34)/t19-,22-,23-,24-/m0/s1
PDB
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Article
PubMed
1.80n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of fluorescently tagged SM5F from human cIAP-2 BIR3 expressed in Escherichia coli BL21 cells by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 8


(Homo sapiens)
BDBM50273698
PNG
((5S,8S,10aR)-3-Acetyl-N-benzhydryl-5-((S)-2-(methy...)
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(C)=O
Show InChI InChI=1S/C29H37N5O4/c1-19(30-3)27(36)31-24-18-33(20(2)35)17-16-23-14-15-25(34(23)29(24)38)28(37)32-26(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,19,23-26,30H,14-18H2,1-3H3,(H,31,36)(H,32,37)/t19-,23+,24-,25-/m0/s1
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PC sid
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Article
PubMed
1.90n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of fluorescently tagged SM5F from human cIAP-2 BIR3 expressed in Escherichia coli BL21 cells by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 8


(Homo sapiens)
BDBM50273699
PNG
((5S,8S,10aR)-N-Benzhydryl-5-((S)-2-(methyl-amino)p...)
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)Cc1ccccc1
Show InChI InChI=1S/C35H41N5O4/c1-24(36-2)33(42)37-29-23-39(31(41)22-25-12-6-3-7-13-25)21-20-28-18-19-30(40(28)35(29)44)34(43)38-32(26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17,24,28-30,32,36H,18-23H2,1-2H3,(H,37,42)(H,38,43)/t24-,28+,29-,30-/m0/s1
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Article
PubMed
4.20n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of fluorescently tagged SM5F from human cIAP-2 BIR3 expressed in Escherichia coli BL21 cells by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 8


(Homo sapiens)
BDBM50273673
PNG
((5S,8S,10aR)-N-Benzhydryl-5-((S)-2-(methylamino)pr...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CNCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H35N5O3/c1-18(28-2)25(33)30-22-17-29-16-15-21-13-14-23(32(21)27(22)35)26(34)31-24(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,21-24,28-29H,13-17H2,1-2H3,(H,30,33)(H,31,34)/t18-,21+,22-,23-/m0/s1
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Article
PubMed
4.60n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of fluorescently tagged SM5F from human cIAP-2 BIR3 expressed in Escherichia coli BL21 cells by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 8


(Homo sapiens)
BDBM50273638
PNG
((5S,8S,10aR)-N-Benzhydryl-3-benzyl-5-((S)-2-(methy...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C34H41N5O3/c1-24(35-2)32(40)36-29-23-38(22-25-12-6-3-7-13-25)21-20-28-18-19-30(39(28)34(29)42)33(41)37-31(26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17,24,28-31,35H,18-23H2,1-2H3,(H,36,40)(H,37,41)/t24-,28+,29-,30-/m0/s1
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PC sid
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Article
PubMed
9.80n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of fluorescently tagged SM5F from human cIAP-2 BIR3 expressed in Escherichia coli BL21 cells by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 8


(Homo sapiens)
BDBM50273674
PNG
((5S,8S,10aR)-N-Benzhydryl-3-methyl-5-((S)-2-(methy...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H37N5O3/c1-19(29-2)26(34)30-23-18-32(3)17-16-22-14-15-24(33(22)28(23)36)27(35)31-25(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,19,22-25,29H,14-18H2,1-3H3,(H,30,34)(H,31,35)/t19-,22+,23-,24-/m0/s1
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


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AffyNet 
Article
PubMed
18n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of fluorescently tagged SM5F from human cIAP-2 BIR3 expressed in Escherichia coli BL21 cells by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair