null

SMILES: CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(cc1)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SCC(=O)N(C)C)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C

InChI Key: InChIKey=CJRHVCMFPZPWRZ-YKAQSNEXSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 345214   

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/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM345214 (N1-((3S,5S)-1-((S)-3,3-Dimethyl-2-((S)-2- (methyla...) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(cc1)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SCC(=O)N(C)C)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C Show InChI InChI=1S/C66H87N11O9S/c1-38(67-8)57(79)73-55(65(3,4)5)63(85)77-36-47(34-53(77)62(84)72-51-25-17-21-41-19-13-15-23-49(41)51)70-60(82)43-28-26-42(27-29-43)59(81)69-46-31-30-44-33-52(61(83)71-50-24-16-20-40-18-12-14-22-48(40)50)76(35-45(44)32-46)64(86)56(74-58(80)39(2)68-9)66(6,7)87-37-54(78)75(10)11/h12-15,18-19,22-23,26-32,38-39,47,50-53,55-56,67-68H,16-17,20-21,24-25,33-37H2,1-11H3,(H,69,81)(H,70,82)(H,71,83)(H,72,84)(H,73,79)(H,74,80)/t38-,39-,47-,50+,51+,52-,53-,55+,56+/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	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
Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM345214 (N1-((3S,5S)-1-((S)-3,3-Dimethyl-2-((S)-2- (methyla...) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(cc1)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SCC(=O)N(C)C)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C Show InChI InChI=1S/C66H87N11O9S/c1-38(67-8)57(79)73-55(65(3,4)5)63(85)77-36-47(34-53(77)62(84)72-51-25-17-21-41-19-13-15-23-49(41)51)70-60(82)43-28-26-42(27-29-43)59(81)69-46-31-30-44-33-52(61(83)71-50-24-16-20-40-18-12-14-22-48(40)50)76(35-45(44)32-46)64(86)56(74-58(80)39(2)68-9)66(6,7)87-37-54(78)75(10)11/h12-15,18-19,22-23,26-32,38-39,47,50-53,55-56,67-68H,16-17,20-21,24-25,33-37H2,1-11H3,(H,69,81)(H,70,82)(H,71,83)(H,72,84)(H,73,79)(H,74,80)/t38-,39-,47-,50+,51+,52-,53-,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	14	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