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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Baculoviral IAP repeat-containing protein 2' and Ligand = 'BDBM50343512'   
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 2


(Homo sapiens (Human))
BDBM50343512
PNG
((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCCCCCc2ccc(CCCCCCCCn3cc(nn3)[C@@H](NC(=O)[C@@H]3CC[C@@H]4CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N34)c3ccccc3)cc2)nn1)c1ccccc1 |r|
Show InChI InChI=1S/C70H100N14O6/c1-49(71-3)65(85)73-57-35-23-21-33-55-41-43-61(83(55)69(57)89)67(87)75-63(53-29-17-13-18-30-53)59-47-81(79-77-59)45-25-11-7-5-9-15-27-51-37-39-52(40-38-51)28-16-10-6-8-12-26-46-82-48-60(78-80-82)64(54-31-19-14-20-32-54)76-68(88)62-44-42-56-34-22-24-36-58(70(90)84(56)62)74-66(86)50(2)72-4/h13-14,17-20,29-32,37-40,47-50,55-58,61-64,71-72H,5-12,15-16,21-28,33-36,41-46H2,1-4H3,(H,73,85)(H,74,86)(H,75,87)(H,76,88)/t49-,50-,55-,56-,57-,58-,61-,62-,63-,64-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to human cIAP1 BIR2-BIR3 domain after 2 to 3 hrs by fluorescence polarization-based assay


J Med Chem 54: 3306-18 (2011)


Article DOI: 10.1021/jm101651b
BindingDB Entry DOI: 10.7270/Q2RJ4JSD
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50343512
PNG
((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCCCCCc2ccc(CCCCCCCCn3cc(nn3)[C@@H](NC(=O)[C@@H]3CC[C@@H]4CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N34)c3ccccc3)cc2)nn1)c1ccccc1 |r|
Show InChI InChI=1S/C70H100N14O6/c1-49(71-3)65(85)73-57-35-23-21-33-55-41-43-61(83(55)69(57)89)67(87)75-63(53-29-17-13-18-30-53)59-47-81(79-77-59)45-25-11-7-5-9-15-27-51-37-39-52(40-38-51)28-16-10-6-8-12-26-46-82-48-60(78-80-82)64(54-31-19-14-20-32-54)76-68(88)62-44-42-56-34-22-24-36-58(70(90)84(56)62)74-66(86)50(2)72-4/h13-14,17-20,29-32,37-40,47-50,55-58,61-64,71-72H,5-12,15-16,21-28,33-36,41-46H2,1-4H3,(H,73,85)(H,74,86)(H,75,87)(H,76,88)/t49-,50-,55-,56-,57-,58-,61-,62-,63-,64-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.5n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to human cIAP1 BIR3 domain after 2 to 3 hrs by fluorescence polarization-based assay


J Med Chem 54: 3306-18 (2011)


Article DOI: 10.1021/jm101651b
BindingDB Entry DOI: 10.7270/Q2RJ4JSD
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50343512
PNG
((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCCCCCc2ccc(CCCCCCCCn3cc(nn3)[C@@H](NC(=O)[C@@H]3CC[C@@H]4CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N34)c3ccccc3)cc2)nn1)c1ccccc1 |r|
Show InChI InChI=1S/C70H100N14O6/c1-49(71-3)65(85)73-57-35-23-21-33-55-41-43-61(83(55)69(57)89)67(87)75-63(53-29-17-13-18-30-53)59-47-81(79-77-59)45-25-11-7-5-9-15-27-51-37-39-52(40-38-51)28-16-10-6-8-12-26-46-82-48-60(78-80-82)64(54-31-19-14-20-32-54)76-68(88)62-44-42-56-34-22-24-36-58(70(90)84(56)62)74-66(86)50(2)72-4/h13-14,17-20,29-32,37-40,47-50,55-58,61-64,71-72H,5-12,15-16,21-28,33-36,41-46H2,1-4H3,(H,73,85)(H,74,86)(H,75,87)(H,76,88)/t49-,50-,55-,56-,57-,58-,61-,62-,63-,64-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.30n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Competitive inhibition of human cIAP1BIR2-BIR3 domain after 2 to 3 hrs by fluorescence polarization assay


J Med Chem 54: 3306-18 (2011)


Article DOI: 10.1021/jm101651b
BindingDB Entry DOI: 10.7270/Q2RJ4JSD
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50343512
PNG
((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCCCCCc2ccc(CCCCCCCCn3cc(nn3)[C@@H](NC(=O)[C@@H]3CC[C@@H]4CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N34)c3ccccc3)cc2)nn1)c1ccccc1 |r|
Show InChI InChI=1S/C70H100N14O6/c1-49(71-3)65(85)73-57-35-23-21-33-55-41-43-61(83(55)69(57)89)67(87)75-63(53-29-17-13-18-30-53)59-47-81(79-77-59)45-25-11-7-5-9-15-27-51-37-39-52(40-38-51)28-16-10-6-8-12-26-46-82-48-60(78-80-82)64(54-31-19-14-20-32-54)76-68(88)62-44-42-56-34-22-24-36-58(70(90)84(56)62)74-66(86)50(2)72-4/h13-14,17-20,29-32,37-40,47-50,55-58,61-64,71-72H,5-12,15-16,21-28,33-36,41-46H2,1-4H3,(H,73,85)(H,74,86)(H,75,87)(H,76,88)/t49-,50-,55-,56-,57-,58-,61-,62-,63-,64-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Competitive inhibition of human cIAP1 BIR3 domain after 2 to 3 hrs by fluorescence polarization assay


J Med Chem 54: 3306-18 (2011)


Article DOI: 10.1021/jm101651b
BindingDB Entry DOI: 10.7270/Q2RJ4JSD
More data for this
Ligand-Target Pair