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)c(Cl)c1)C(C)(C)C

InChI Key: InChIKey=XQSIBUBOFPOXKS-MKUNCAPJSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 345183   

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))	BDBM345183 (US9783573, Example 33) 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)c(Cl)c1)C(C)(C)C |r| Show InChI InChI=1S/C63H83ClN10O7/c1-36(65-9)55(75)71-53(62(3,4)5)60(80)73-34-43-29-44(28-27-40(43)31-51(73)58(78)69-49-23-15-19-38-17-11-13-21-46(38)49)67-33-42-26-25-41(30-48(42)64)57(77)68-45-32-52(59(79)70-50-24-16-20-39-18-12-14-22-47(39)50)74(35-45)61(81)54(63(6,7)8)72-56(76)37(2)66-10/h11-14,17-18,21-22,25-30,36-37,45,49-54,65-67H,15-16,19-20,23-24,31-35H2,1-10H3,(H,68,77)(H,69,78)(H,70,79)(H,71,75)(H,72,76)/t36-,37-,45?,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	790	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))	BDBM345183 (US9783573, Example 33) 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)c(Cl)c1)C(C)(C)C |r| Show InChI InChI=1S/C63H83ClN10O7/c1-36(65-9)55(75)71-53(62(3,4)5)60(80)73-34-43-29-44(28-27-40(43)31-51(73)58(78)69-49-23-15-19-38-17-11-13-21-46(38)49)67-33-42-26-25-41(30-48(42)64)57(77)68-45-32-52(59(79)70-50-24-16-20-39-18-12-14-22-47(39)50)74(35-45)61(81)54(63(6,7)8)72-56(76)37(2)66-10/h11-14,17-18,21-22,25-30,36-37,45,49-54,65-67H,15-16,19-20,23-24,31-35H2,1-10H3,(H,68,77)(H,69,78)(H,70,79)(H,71,75)(H,72,76)/t36-,37-,45?,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	66	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