Found 4 hits Enz. Inhib. hit(s) with Target = 'Baculoviral IAP repeat-containing protein 2' and Ligand = 'BDBM50343513' Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50343513
((3S,6S,10aS)-6-((S)-2-acetamido-3-(1H-indol-3-yl)p...)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(CCCCc2ccc(CCCCn3cc(nn3)[C@@H](NC(=O)[C@@H]3CC[C@@H]4CCCC[C@H](NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC(C)=O)C(=O)N34)c3ccccc3)cc2)nn1)c1ccccc1 |r| Show InChI InChI=1S/C71H89N15O7/c1-46(72-3)66(88)75-57-30-13-10-26-53-36-38-62(85(53)70(57)92)68(90)77-64(50-22-6-4-7-23-50)60-44-83(81-79-60)40-18-16-20-48-32-34-49(35-33-48)21-17-19-41-84-45-61(80-82-84)65(51-24-8-5-9-25-51)78-69(91)63-39-37-54-27-11-14-31-58(71(93)86(54)63)76-67(89)59(74-47(2)87)42-52-43-73-56-29-15-12-28-55(52)56/h4-9,12,15,22-25,28-29,32-35,43-46,53-54,57-59,62-65,72-73H,10-11,13-14,16-21,26-27,30-31,36-42H2,1-3H3,(H,74,87)(H,75,88)(H,76,89)(H,77,90)(H,78,91)/t46-,53-,54-,57-,58-,59-,62-,63-,64-,65-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD 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 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)) | BDBM50343513
((3S,6S,10aS)-6-((S)-2-acetamido-3-(1H-indol-3-yl)p...)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(CCCCc2ccc(CCCCn3cc(nn3)[C@@H](NC(=O)[C@@H]3CC[C@@H]4CCCC[C@H](NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC(C)=O)C(=O)N34)c3ccccc3)cc2)nn1)c1ccccc1 |r| Show InChI InChI=1S/C71H89N15O7/c1-46(72-3)66(88)75-57-30-13-10-26-53-36-38-62(85(53)70(57)92)68(90)77-64(50-22-6-4-7-23-50)60-44-83(81-79-60)40-18-16-20-48-32-34-49(35-33-48)21-17-19-41-84-45-61(80-82-84)65(51-24-8-5-9-25-51)78-69(91)63-39-37-54-27-11-14-31-58(71(93)86(54)63)76-67(89)59(74-47(2)87)42-52-43-73-56-29-15-12-28-55(52)56/h4-9,12,15,22-25,28-29,32-35,43-46,53-54,57-59,62-65,72-73H,10-11,13-14,16-21,26-27,30-31,36-42H2,1-3H3,(H,74,87)(H,75,88)(H,76,89)(H,77,90)(H,78,91)/t46-,53-,54-,57-,58-,59-,62-,63-,64-,65-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6 | 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 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)) | BDBM50343513
((3S,6S,10aS)-6-((S)-2-acetamido-3-(1H-indol-3-yl)p...)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(CCCCc2ccc(CCCCn3cc(nn3)[C@@H](NC(=O)[C@@H]3CC[C@@H]4CCCC[C@H](NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC(C)=O)C(=O)N34)c3ccccc3)cc2)nn1)c1ccccc1 |r| Show InChI InChI=1S/C71H89N15O7/c1-46(72-3)66(88)75-57-30-13-10-26-53-36-38-62(85(53)70(57)92)68(90)77-64(50-22-6-4-7-23-50)60-44-83(81-79-60)40-18-16-20-48-32-34-49(35-33-48)21-17-19-41-84-45-61(80-82-84)65(51-24-8-5-9-25-51)78-69(91)63-39-37-54-27-11-14-31-58(71(93)86(54)63)76-67(89)59(74-47(2)87)42-52-43-73-56-29-15-12-28-55(52)56/h4-9,12,15,22-25,28-29,32-35,43-46,53-54,57-59,62-65,72-73H,10-11,13-14,16-21,26-27,30-31,36-42H2,1-3H3,(H,74,87)(H,75,88)(H,76,89)(H,77,90)(H,78,91)/t46-,53-,54-,57-,58-,59-,62-,63-,64-,65-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50343513
((3S,6S,10aS)-6-((S)-2-acetamido-3-(1H-indol-3-yl)p...)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(CCCCc2ccc(CCCCn3cc(nn3)[C@@H](NC(=O)[C@@H]3CC[C@@H]4CCCC[C@H](NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC(C)=O)C(=O)N34)c3ccccc3)cc2)nn1)c1ccccc1 |r| Show InChI InChI=1S/C71H89N15O7/c1-46(72-3)66(88)75-57-30-13-10-26-53-36-38-62(85(53)70(57)92)68(90)77-64(50-22-6-4-7-23-50)60-44-83(81-79-60)40-18-16-20-48-32-34-49(35-33-48)21-17-19-41-84-45-61(80-82-84)65(51-24-8-5-9-25-51)78-69(91)63-39-37-54-27-11-14-31-58(71(93)86(54)63)76-67(89)59(74-47(2)87)42-52-43-73-56-29-15-12-28-55(52)56/h4-9,12,15,22-25,28-29,32-35,43-46,53-54,57-59,62-65,72-73H,10-11,13-14,16-21,26-27,30-31,36-42H2,1-3H3,(H,74,87)(H,75,88)(H,76,89)(H,77,90)(H,78,91)/t46-,53-,54-,57-,58-,59-,62-,63-,64-,65-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/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 | |