BDBM345176 (S)-2-((S)-3,3-Dimethyl-2-((S)-2-(methylamino) propanamido)butanoyl)-N7-(6-(((3S,5S)-1-((S)-3,3- dimethyl-2-((S)-2-(methylamino)propanamido) butanoyl)-5-(((R)-1,2,3,4-tetrahydronaphthalen-1- yl)carbamoyl)pyrrolidin-3-yl)carbamoyl)-5- methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)-N3-((R)- 1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,4- tetrahydroisoquinoline-3,7-dicarboxamide::US9783573, Example 26

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)c1cn2ncnc(NC(=O)c3ccc4C[C@H](N(Cc4c3)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]3CCCc4ccccc34)c2c1C)C(C)(C)C

InChI Key: InChIKey=LVOPBJNMNTXXAB-XROZKOHISA-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 = 345176   

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))	BDBM345176 ((S)-2-((S)-3,3-Dimethyl-2-((S)-2-(methylamino) pro...) 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)c1cn2ncnc(NC(=O)c3ccc4C[C@H](N(Cc4c3)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]3CCCc4ccccc34)c2c1C)C(C)(C)C Show InChI InChI=1S/C64H83N13O8/c1-35-46(58(81)69-43-30-50(60(83)71-48-25-17-21-39-19-13-15-23-45(39)48)76(32-43)62(85)53(64(7,8)9)73-56(79)37(3)66-11)33-77-51(35)54(67-34-68-77)74-57(80)41-27-26-40-29-49(59(82)70-47-24-16-20-38-18-12-14-22-44(38)47)75(31-42(40)28-41)61(84)52(63(4,5)6)72-55(78)36(2)65-10/h12-15,18-19,22-23,26-28,33-34,36-37,43,47-50,52-53,65-66H,16-17,20-21,24-25,29-32H2,1-11H3,(H,69,81)(H,70,82)(H,71,83)(H,72,78)(H,73,79)(H,67,68,74,80)/t36-,37-,43-,47+,48+,49-,50-,52+,53+/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	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))	BDBM345176 ((S)-2-((S)-3,3-Dimethyl-2-((S)-2-(methylamino) pro...) 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)c1cn2ncnc(NC(=O)c3ccc4C[C@H](N(Cc4c3)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]3CCCc4ccccc34)c2c1C)C(C)(C)C Show InChI InChI=1S/C64H83N13O8/c1-35-46(58(81)69-43-30-50(60(83)71-48-25-17-21-39-19-13-15-23-45(39)48)76(32-43)62(85)53(64(7,8)9)73-56(79)37(3)66-11)33-77-51(35)54(67-34-68-77)74-57(80)41-27-26-40-29-49(59(82)70-47-24-16-20-38-18-12-14-22-44(38)47)75(31-42(40)28-41)61(84)52(63(4,5)6)72-55(78)36(2)65-10/h12-15,18-19,22-23,26-28,33-34,36-37,43,47-50,52-53,65-66H,16-17,20-21,24-25,29-32H2,1-11H3,(H,69,81)(H,70,82)(H,71,83)(H,72,78)(H,73,79)(H,67,68,74,80)/t36-,37-,43-,47+,48+,49-,50-,52+,53+/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	56	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