null

SMILES: CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)c1ccc(CNc2ccc3C[C@H](N(Cc3c2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(C)(C)C

InChI Key: InChIKey=FQDRXYPGOKPIKX-GKSNKUOISA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 345181   

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/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM345181 (US9783573, Example 31) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)c1ccc(CNc2ccc3C[C@H](N(Cc3c2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(C)(C)C |r| Show InChI InChI=1S/C63H84N10O7/c1-37(64-9)55(74)70-53(62(3,4)5)60(79)72-35-44-31-45(30-29-43(44)32-51(72)58(77)68-49-23-15-19-40-17-11-13-21-47(40)49)66-34-39-25-27-42(28-26-39)57(76)67-46-33-52(59(78)69-50-24-16-20-41-18-12-14-22-48(41)50)73(36-46)61(80)54(63(6,7)8)71-56(75)38(2)65-10/h11-14,17-18,21-22,25-31,37-38,46,49-54,64-66H,15-16,19-20,23-24,32-36H2,1-10H3,(H,67,76)(H,68,77)(H,69,78)(H,70,74)(H,71,75)/t37-,38-,46?,49?,50?,51-,52-,53+,54+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in white, flat-bottom, 384-well ProxiPlates (Perkin Elmer). The final assay volume was 10 μL prepared from additions of Hi...				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))	BDBM345181 (US9783573, Example 31) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)c1ccc(CNc2ccc3C[C@H](N(Cc3c2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(C)(C)C |r| Show InChI InChI=1S/C63H84N10O7/c1-37(64-9)55(74)70-53(62(3,4)5)60(79)72-35-44-31-45(30-29-43(44)32-51(72)58(77)68-49-23-15-19-40-17-11-13-21-47(40)49)66-34-39-25-27-42(28-26-39)57(76)67-46-33-52(59(78)69-50-24-16-20-41-18-12-14-22-48(41)50)73(36-46)61(80)54(63(6,7)8)71-56(75)38(2)65-10/h11-14,17-18,21-22,25-31,37-38,46,49-54,64-66H,15-16,19-20,23-24,32-36H2,1-10H3,(H,67,76)(H,68,77)(H,69,78)(H,70,74)(H,71,75)/t37-,38-,46?,49?,50?,51-,52-,53+,54+/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	71	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 N-His-Tb-BIR3 (241-356...				US Patent US9783573 (2017) BindingDB Entry DOI: 10.7270/Q24B33FH
					More data for this Ligand-Target Pair