Found 2 hits Enz. Inhib. hit(s) with Target = 'Baculoviral IAP repeat-containing protein 2' and Ligand = 'BDBM50432759' 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)) | BDBM50432759
(CHEMBL2348619)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)Nc1ccc(Oc2ccc(NC(=O)N3CC[C@H]4CC[C@H](N4C(=O)[C@H](C3)NC(=O)[C@H](C)NC)C(=O)NC(c3ccccc3)c3ccccc3)cc2)cc1 |r| Show InChI InChI=1S/C68H78N12O9/c1-43(69-3)61(81)73-55-41-77(39-37-51-29-35-57(79(51)65(55)85)63(83)75-59(45-17-9-5-10-18-45)46-19-11-6-12-20-46)67(87)71-49-25-31-53(32-26-49)89-54-33-27-50(28-34-54)72-68(88)78-40-38-52-30-36-58(80(52)66(86)56(42-78)74-62(82)44(2)70-4)64(84)76-60(47-21-13-7-14-22-47)48-23-15-8-16-24-48/h5-28,31-34,43-44,51-52,55-60,69-70H,29-30,35-42H2,1-4H3,(H,71,87)(H,72,88)(H,73,81)(H,74,82)(H,75,83)(H,76,84)/t43-,44-,51+,52+,55-,56-,57-,58-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.5 | 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 cIAP1 BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-2F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50432759
(CHEMBL2348619)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)Nc1ccc(Oc2ccc(NC(=O)N3CC[C@H]4CC[C@H](N4C(=O)[C@H](C3)NC(=O)[C@H](C)NC)C(=O)NC(c3ccccc3)c3ccccc3)cc2)cc1 |r| Show InChI InChI=1S/C68H78N12O9/c1-43(69-3)61(81)73-55-41-77(39-37-51-29-35-57(79(51)65(55)85)63(83)75-59(45-17-9-5-10-18-45)46-19-11-6-12-20-46)67(87)71-49-25-31-53(32-26-49)89-54-33-27-50(28-34-54)72-68(88)78-40-38-52-30-36-58(80(52)66(86)56(42-78)74-62(82)44(2)70-4)64(84)76-60(47-21-13-7-14-22-47)48-23-15-8-16-24-48/h5-28,31-34,43-44,51-52,55-60,69-70H,29-30,35-42H2,1-4H3,(H,71,87)(H,72,88)(H,73,81)(H,74,82)(H,75,83)(H,76,84)/t43-,44-,51+,52+,55-,56-,57-,58-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Binding affinity to cIAP1 BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-2F |
J Med Chem 56: 3969-79 (2013)
Article DOI: 10.1021/jm400216d BindingDB Entry DOI: 10.7270/Q2M61MNM |
More data for this Ligand-Target Pair | |