BDBM345199 US9783573, Example 49

SMILES: CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)n1ccc2cc(ccc12)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)C(NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC1CCCc2ccccc12)C(C)(C)C

InChI Key: InChIKey=VBRZVKNEYITVSY-IKKLWSPUSA-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 = 345199   

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
XIAP-BIR2-3 (Homo sapiens (Human))	BDBM345199 (US9783573, Example 49) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)n1ccc2cc(ccc12)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)C(NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C65H83N11O8/c1-37(66-9)56(77)72-54(64(3,4)5)61(82)75-35-44-32-45(27-25-41(44)33-52(75)59(80)70-49-23-15-19-39-17-11-13-21-47(39)49)68-58(79)43-26-28-51-42(31-43)29-30-74(51)63(84)69-46-34-53(60(81)71-50-24-16-20-40-18-12-14-22-48(40)50)76(36-46)62(83)55(65(6,7)8)73-57(78)38(2)67-10/h11-14,17-18,21-22,25-32,37-38,46,49-50,52-55,66-67H,15-16,19-20,23-24,33-36H2,1-10H3,(H,68,79)(H,69,84)(H,70,80)(H,71,81)(H,72,77)(H,73,78)/t37-,38-,46?,49?,50?,52-,53-,54?,55+/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	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
XIAP-BIR3 (Homo sapiens (Human))	BDBM345199 (US9783573, Example 49) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)n1ccc2cc(ccc12)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)C(NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C65H83N11O8/c1-37(66-9)56(77)72-54(64(3,4)5)61(82)75-35-44-32-45(27-25-41(44)33-52(75)59(80)70-49-23-15-19-39-17-11-13-21-47(39)49)68-58(79)43-26-28-51-42(31-43)29-30-74(51)63(84)69-46-34-53(60(81)71-50-24-16-20-40-18-12-14-22-48(40)50)76(36-46)62(83)55(65(6,7)8)73-57(78)38(2)67-10/h11-14,17-18,21-22,25-32,37-38,46,49-50,52-55,66-67H,15-16,19-20,23-24,33-36H2,1-10H3,(H,68,79)(H,69,84)(H,70,80)(H,71,81)(H,72,77)(H,73,78)/t37-,38-,46?,49?,50?,52-,53-,54?,55+/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	51	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