null

SMILES: CCN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(NC(=O)c3ccc(cc3)C(=O)NC3CC(N(C3)C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)C)C(C)(C)C)C(=O)NC3CCCc4ccccc34)ccc2CC1C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C

InChI Key: InChIKey=JWXXLHIYUTWEMB-PPQBKDOFSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 345186   

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))	BDBM345186 (N1-((S)-2-((S)-3,3-dimethyl-2- ((S)-2-(methylamino...) Show SMILES CCN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(NC(=O)c3ccc(cc3)C(=O)NC3CC(N(C3)C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)C)C(C)(C)C)C(=O)NC3CCCc4ccccc34)ccc2CC1C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C66H88N10O8/c1-12-68-39(4)57(77)73-55(65(5,6)7)63(83)75-36-45-33-46(32-31-44(45)34-52(75)60(80)71-50-25-17-21-40-19-13-15-23-48(40)50)69-58(78)42-27-29-43(30-28-42)59(79)70-47-35-53(61(81)72-51-26-18-22-41-20-14-16-24-49(41)51)76(37-47)64(84)56(66(8,9)10)74-62(82)54(67-11)38(2)3/h13-16,19-20,23-24,27-33,38-39,47,50-56,67-68H,12,17-18,21-22,25-26,34-37H2,1-11H3,(H,69,78)(H,70,79)(H,71,80)(H,72,81)(H,73,77)(H,74,82)/t39-,47?,50+,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	1.90E+3	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))	BDBM345186 (N1-((S)-2-((S)-3,3-dimethyl-2- ((S)-2-(methylamino...) Show SMILES CCN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(NC(=O)c3ccc(cc3)C(=O)NC3CC(N(C3)C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)C)C(C)(C)C)C(=O)NC3CCCc4ccccc34)ccc2CC1C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C66H88N10O8/c1-12-68-39(4)57(77)73-55(65(5,6)7)63(83)75-36-45-33-46(32-31-44(45)34-52(75)60(80)71-50-25-17-21-40-19-13-15-23-48(40)50)69-58(78)42-27-29-43(30-28-42)59(79)70-47-35-53(61(81)72-51-26-18-22-41-20-14-16-24-49(41)51)76(37-47)64(84)56(66(8,9)10)74-62(82)54(67-11)38(2)3/h13-16,19-20,23-24,27-33,38-39,47,50-56,67-68H,12,17-18,21-22,25-26,34-37H2,1-11H3,(H,69,78)(H,70,79)(H,71,80)(H,72,81)(H,73,77)(H,74,82)/t39-,47?,50+,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	190	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