BDBM345182 US9783573, Example 32

SMILES: CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)c1ccc(CN(C(C)=O)c2ccc3C[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=SUSFWURNJMTUGZ-LOKLLDKISA-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 = 345182   

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 (Homo sapiens (Human))	BDBM345182 (US9783573, Example 32) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)c1ccc(CN(C(C)=O)c2ccc3C[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/C65H86N10O8/c1-38(66-10)57(77)71-55(64(4,5)6)62(82)74-36-46-32-48(31-30-45(46)33-53(74)60(80)69-51-24-16-20-42-18-12-14-22-49(42)51)73(40(3)76)35-41-26-28-44(29-27-41)59(79)68-47-34-54(61(81)70-52-25-17-21-43-19-13-15-23-50(43)52)75(37-47)63(83)56(65(7,8)9)72-58(78)39(2)67-11/h12-15,18-19,22-23,26-32,38-39,47,51-56,66-67H,16-17,20-21,24-25,33-37H2,1-11H3,(H,68,79)(H,69,80)(H,70,81)(H,71,77)(H,72,78)/t38-,39-,47?,51?,52?,53-,54-,55+,56+/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	110	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
XIAP-BIR3 (Homo sapiens (Human))	BDBM345182 (US9783573, Example 32) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)c1ccc(CN(C(C)=O)c2ccc3C[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/C65H86N10O8/c1-38(66-10)57(77)71-55(64(4,5)6)62(82)74-36-46-32-48(31-30-45(46)33-53(74)60(80)69-51-24-16-20-42-18-12-14-22-49(42)51)73(40(3)76)35-41-26-28-44(29-27-41)59(79)68-47-34-54(61(81)70-52-25-17-21-43-19-13-15-23-50(43)52)75(37-47)63(83)56(65(7,8)9)72-58(78)39(2)67-11/h12-15,18-19,22-23,26-32,38-39,47,51-56,66-67H,16-17,20-21,24-25,33-37H2,1-11H3,(H,68,79)(H,69,80)(H,70,81)(H,71,77)(H,72,78)/t38-,39-,47?,51?,52?,53-,54-,55+,56+/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	35	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