BDBM228606 US9345740, 3

SMILES: CN[C@@H](C)C(=O)NC(Cc1ccc(NC(=O)c2ccc(CO[C@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC3CCCc4ccccc34)cc2)cc1)C(=O)N1C[Si](C)(C)C[C@H]1C(=O)NC1CCCc2ccccc12

InChI Key: InChIKey=MBZDXWCNTPPEIW-XGUWNVOLSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 228606   

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
E3 ubiquitin-protein ligase XIAP (C202A)(C213G) (Mus musculus (Mouse))	BDBM228606 (US9345740, 3) Show SMILES CN[C@@H](C)C(=O)NC(Cc1ccc(NC(=O)c2ccc(CO[C@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC3CCCc4ccccc34)cc2)cc1)C(=O)N1C[Si](C)(C)C[C@H]1C(=O)NC1CCCc2ccccc12 |r| Show InChI InChI=1S/C62H83N9O8Si/c1-38(63-6)55(72)68-51(60(77)71-37-80(8,9)36-53(71)59(76)67-50-23-15-19-43-17-11-13-21-48(43)50)32-40-26-30-45(31-27-40)65-57(74)44-28-24-41(25-29-44)35-79-46-33-52(58(75)66-49-22-14-18-42-16-10-12-20-47(42)49)70(34-46)61(78)54(62(3,4)5)69-56(73)39(2)64-7/h10-13,16-17,20-21,24-31,38-39,46,49-54,63-64H,14-15,18-19,22-23,32-37H2,1-9H3,(H,65,74)(H,66,75)(H,67,76)(H,68,72)(H,69,73)/t38-,39-,46-,49?,50?,51?,52-,53-,54+/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	25
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, C20...				US Patent US9345740 (2016) BindingDB Entry DOI: 10.7270/Q29S1PX3
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Mus musculus (Mouse))	BDBM228606 (US9345740, 3) Show SMILES CN[C@@H](C)C(=O)NC(Cc1ccc(NC(=O)c2ccc(CO[C@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC3CCCc4ccccc34)cc2)cc1)C(=O)N1C[Si](C)(C)C[C@H]1C(=O)NC1CCCc2ccccc12 |r| Show InChI InChI=1S/C62H83N9O8Si/c1-38(63-6)55(72)68-51(60(77)71-37-80(8,9)36-53(71)59(76)67-50-23-15-19-43-17-11-13-21-48(43)50)32-40-26-30-45(31-27-40)65-57(74)44-28-24-41(25-29-44)35-79-46-33-52(58(75)66-49-22-14-18-42-16-10-12-20-47(42)49)70(34-46)61(78)54(62(3,4)5)69-56(73)39(2)64-7/h10-13,16-17,20-21,24-31,38-39,46,49-54,63-64H,14-15,18-19,22-23,32-37H2,1-9H3,(H,65,74)(H,66,75)(H,67,76)(H,68,72)(H,69,73)/t38-,39-,46-,49?,50?,51?,52-,53-,54+/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	25
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, XIAP)...				US Patent US9345740 (2016) BindingDB Entry DOI: 10.7270/Q29S1PX3
					More data for this Ligand-Target Pair