Found 3 hits of ic50 for monomerid = 50401476 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 |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50401476
(CHEMBL2205249)Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CNCc2ccccc2)CC[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]4CC[C@H](CNCc5ccccc5)[C@H](NC(=O)[C@H](CC)NC)C(=O)N34)c3ccccc3)cc2)nn1)c1ccccc1 |r| Show InChI InChI=1S/C78H102N16O6/c1-5-63(79-3)73(95)85-71-59(49-81-47-55-25-11-7-12-26-55)37-39-61-41-43-67(93(61)77(71)99)75(97)83-69(57-29-15-9-16-30-57)65-51-91(89-87-65)45-21-19-23-53-33-35-54(36-34-53)24-20-22-46-92-52-66(88-90-92)70(58-31-17-10-18-32-58)84-76(98)68-44-42-62-40-38-60(50-82-48-56-27-13-8-14-28-56)72(78(100)94(62)68)86-74(96)64(6-2)80-4/h7-18,25-36,51-52,59-64,67-72,79-82H,5-6,19-24,37-50H2,1-4H3,(H,83,97)(H,84,98)(H,85,95)(H,86,96)/t59-,60-,61+,62+,63+,64+,67+,68+,69+,70+,71+,72+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Fondazione IRCCS Istituto Nazionale dei Tumori
Curated by ChEMBL
| Assay Description Displacement of Smac-1F from human His-tagged XIAP linker BIR2-BIR3 linker (124 to 356 residues) after 3 hrs by fluorescent polarization assay |
Bioorg Med Chem 20: 6709-23 (2012)
Article DOI: 10.1016/j.bmc.2012.09.041 BindingDB Entry DOI: 10.7270/Q2P84D2Z |
More data for this Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50401476
(CHEMBL2205249)Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CNCc2ccccc2)CC[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]4CC[C@H](CNCc5ccccc5)[C@H](NC(=O)[C@H](CC)NC)C(=O)N34)c3ccccc3)cc2)nn1)c1ccccc1 |r| Show InChI InChI=1S/C78H102N16O6/c1-5-63(79-3)73(95)85-71-59(49-81-47-55-25-11-7-12-26-55)37-39-61-41-43-67(93(61)77(71)99)75(97)83-69(57-29-15-9-16-30-57)65-51-91(89-87-65)45-21-19-23-53-33-35-54(36-34-53)24-20-22-46-92-52-66(88-90-92)70(58-31-17-10-18-32-58)84-76(98)68-44-42-62-40-38-60(50-82-48-56-27-13-8-14-28-56)72(78(100)94(62)68)86-74(96)64(6-2)80-4/h7-18,25-36,51-52,59-64,67-72,79-82H,5-6,19-24,37-50H2,1-4H3,(H,83,97)(H,84,98)(H,85,95)(H,86,96)/t59-,60-,61+,62+,63+,64+,67+,68+,69+,70+,71+,72+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 17.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Fondazione IRCCS Istituto Nazionale dei Tumori
Curated by ChEMBL
| Assay Description Displacement of FITC-Smac from human recombinant His-tagged cIAP-1 BIR3 domain (245 to 357 residues) after 3 hrs by fluorescent polarization assay |
Bioorg Med Chem 20: 6709-23 (2012)
Article DOI: 10.1016/j.bmc.2012.09.041 BindingDB Entry DOI: 10.7270/Q2P84D2Z |
More data for this Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50401476
(CHEMBL2205249)Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CNCc2ccccc2)CC[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]4CC[C@H](CNCc5ccccc5)[C@H](NC(=O)[C@H](CC)NC)C(=O)N34)c3ccccc3)cc2)nn1)c1ccccc1 |r| Show InChI InChI=1S/C78H102N16O6/c1-5-63(79-3)73(95)85-71-59(49-81-47-55-25-11-7-12-26-55)37-39-61-41-43-67(93(61)77(71)99)75(97)83-69(57-29-15-9-16-30-57)65-51-91(89-87-65)45-21-19-23-53-33-35-54(36-34-53)24-20-22-46-92-52-66(88-90-92)70(58-31-17-10-18-32-58)84-76(98)68-44-42-62-40-38-60(50-82-48-56-27-13-8-14-28-56)72(78(100)94(62)68)86-74(96)64(6-2)80-4/h7-18,25-36,51-52,59-64,67-72,79-82H,5-6,19-24,37-50H2,1-4H3,(H,83,97)(H,84,98)(H,85,95)(H,86,96)/t59-,60-,61+,62+,63+,64+,67+,68+,69+,70+,71+,72+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 65.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Fondazione IRCCS Istituto Nazionale dei Tumori
Curated by ChEMBL
| Assay Description Displacement of FITC-Smac from human His-tagged XIAP BIR3 domain (241 to 356 residues) after 3 hrs by fluorescent polarization assay |
Bioorg Med Chem 20: 6709-23 (2012)
Article DOI: 10.1016/j.bmc.2012.09.041 BindingDB Entry DOI: 10.7270/Q2P84D2Z |
More data for this Ligand-Target Pair | |