null

SMILES: CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(CC1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(cc1)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SCC(=O)N(C)CCO)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C

InChI Key: InChIKey=HOXPJVQLJUWYQE-XDKVZQBKSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 345209   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Baculoviral IAP repeat-containing protein 2/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM345209 (N1-((35,5S)-1-((S)-3,3-Dimethyl-2-((S)-2- (methyla...) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(CC1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(cc1)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SCC(=O)N(C)CCO)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C Show InChI InChI=1S/C67H89N11O10S/c1-39(68-8)58(81)74-56(66(3,4)5)64(87)78-37-48(35-54(78)63(86)73-52-24-16-20-42-18-12-14-22-50(42)52)71-61(84)44-27-25-43(26-28-44)60(83)70-47-30-29-45-34-53(62(85)72-51-23-15-19-41-17-11-13-21-49(41)51)77(36-46(45)33-47)65(88)57(75-59(82)40(2)69-9)67(6,7)89-38-55(80)76(10)31-32-79/h11-14,17-18,21-22,25-30,33,39-40,48,51-54,56-57,68-69,79H,15-16,19-20,23-24,31-32,34-38H2,1-10H3,(H,70,83)(H,71,84)(H,72,85)(H,73,86)(H,74,81)(H,75,82)/t39-,40-,48?,51+,52+,53-,54?,56+,57+/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...				US Patent US9783573 (2017) BindingDB Entry DOI: 10.7270/Q24B33FH
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM345209 (N1-((35,5S)-1-((S)-3,3-Dimethyl-2-((S)-2- (methyla...) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(CC1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(cc1)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SCC(=O)N(C)CCO)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C Show InChI InChI=1S/C67H89N11O10S/c1-39(68-8)58(81)74-56(66(3,4)5)64(87)78-37-48(35-54(78)63(86)73-52-24-16-20-42-18-12-14-22-50(42)52)71-61(84)44-27-25-43(26-28-44)60(83)70-47-30-29-45-34-53(62(85)72-51-23-15-19-41-17-11-13-21-49(41)51)77(36-46(45)33-47)65(88)57(75-59(82)40(2)69-9)67(6,7)89-38-55(80)76(10)31-32-79/h11-14,17-18,21-22,25-30,33,39-40,48,51-54,56-57,68-69,79H,15-16,19-20,23-24,31-32,34-38H2,1-10H3,(H,70,83)(H,71,84)(H,72,85)(H,73,86)(H,74,81)(H,75,82)/t39-,40-,48?,51+,52+,53-,54?,56+,57+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR3 (241-356, XIA...				US Patent US9783573 (2017) BindingDB Entry DOI: 10.7270/Q24B33FH
					More data for this Ligand-Target Pair