null

SMILES: CC[C@H](NC)C(=O)N[C@H](C(=O)N1Cc2cc(OCc3ccc(cc3)C(=O)N[C@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]3CCCc4ccccc34)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C

InChI Key: InChIKey=YLQHRUUGXBXOPC-NBHXLWSESA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 345193   

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))	BDBM345193 (S)-2-((S)-3,3-Dimethyl-2-((S)-2- (methylamino)buta...) Show SMILES CC[C@H](NC)C(=O)N[C@H](C(=O)N1Cc2cc(OCc3ccc(cc3)C(=O)N[C@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]3CCCc4ccccc34)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C64H85N9O8/c1-11-49(66-10)58(76)71-55(64(6,7)8)61(79)72-35-44-32-46(31-30-43(44)33-52(72)59(77)68-50-24-16-20-40-18-12-14-22-47(40)50)81-37-39-26-28-42(29-27-39)57(75)67-45-34-53(60(78)69-51-25-17-21-41-19-13-15-23-48(41)51)73(36-45)62(80)54(63(3,4)5)70-56(74)38(2)65-9/h12-15,18-19,22-23,26-32,38,45,49-55,65-66H,11,16-17,20-21,24-25,33-37H2,1-10H3,(H,67,75)(H,68,77)(H,69,78)(H,70,74)(H,71,76)/t38-,45-,49-,50+,51+,52-,53-,54+,55+/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	700	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))	BDBM345193 (S)-2-((S)-3,3-Dimethyl-2-((S)-2- (methylamino)buta...) Show SMILES CC[C@H](NC)C(=O)N[C@H](C(=O)N1Cc2cc(OCc3ccc(cc3)C(=O)N[C@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]3CCCc4ccccc34)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C64H85N9O8/c1-11-49(66-10)58(76)71-55(64(6,7)8)61(79)72-35-44-32-46(31-30-43(44)33-52(72)59(77)68-50-24-16-20-40-18-12-14-22-47(40)50)81-37-39-26-28-42(29-27-39)57(75)67-45-34-53(60(78)69-51-25-17-21-41-19-13-15-23-48(41)51)73(36-45)62(80)54(63(3,4)5)70-56(74)38(2)65-9/h12-15,18-19,22-23,26-32,38,45,49-55,65-66H,11,16-17,20-21,24-25,33-37H2,1-10H3,(H,67,75)(H,68,77)(H,69,78)(H,70,74)(H,71,76)/t38-,45-,49-,50+,51+,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	130	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