BDBM345175 (S)-2-((S)-3,3-Dimethyl-2-((S)-2-(methylamino) propanamido)butanoyl)-N7-((5-(((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)pyridin-2- yl)methyl)-N3-((R)-1,2,3,4-tetrahydronaphthalen-1-yl)- 1,2,3,4-tetrahydroisoquinoline-3,7-dicarboxamide::US9783573, Example 25

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(CNC(=O)c2ccc3C[C@H](N(Cc3c2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)nc1)C(C)(C)C

InChI Key: InChIKey=XZJCEISXWHYZEG-UPKUDDMJSA-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 = 345175   

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-BIR2-3 (Homo sapiens (Human))	BDBM345175 ((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)c1ccc(CNC(=O)c2ccc3C[C@H](N(Cc3c2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)nc1)C(C)(C)C Show InChI InChI=1S/C63H83N11O8/c1-36(64-9)54(75)71-52(62(3,4)5)60(81)73-34-43-29-41(26-25-40(43)30-50(73)58(79)69-48-23-15-19-38-17-11-13-21-46(38)48)56(77)67-33-44-28-27-42(32-66-44)57(78)68-45-31-51(59(80)70-49-24-16-20-39-18-12-14-22-47(39)49)74(35-45)61(82)53(63(6,7)8)72-55(76)37(2)65-10/h11-14,17-18,21-22,25-29,32,36-37,45,48-53,64-65H,15-16,19-20,23-24,30-31,33-35H2,1-10H3,(H,67,77)(H,68,78)(H,69,79)(H,70,80)(H,71,75)(H,72,76)/t36-,37-,45-,48+,49+,50-,51-,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	4	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
XIAP-BIR3 (Homo sapiens (Human))	BDBM345175 ((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)c1ccc(CNC(=O)c2ccc3C[C@H](N(Cc3c2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)nc1)C(C)(C)C Show InChI InChI=1S/C63H83N11O8/c1-36(64-9)54(75)71-52(62(3,4)5)60(81)73-34-43-29-41(26-25-40(43)30-50(73)58(79)69-48-23-15-19-38-17-11-13-21-46(38)48)56(77)67-33-44-28-27-42(32-66-44)57(78)68-45-31-51(59(80)70-49-24-16-20-39-18-12-14-22-47(39)49)74(35-45)61(82)53(63(6,7)8)72-55(76)37(2)65-10/h11-14,17-18,21-22,25-29,32,36-37,45,48-53,64-65H,15-16,19-20,23-24,30-31,33-35H2,1-10H3,(H,67,77)(H,68,78)(H,69,79)(H,70,80)(H,71,75)(H,72,76)/t36-,37-,45-,48+,49+,50-,51-,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	16	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