BDBM345202 (S)-2-((S)-3,3-Dimethyl-2-((S)-2- (methylamino)propanamido) butanoyl)-7-(3-((((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)oxy)methyl)benzamido)-N-((R)- 1,2,3,4-tetrahydronaphthalen-1-yl)- 1,2,3,4-tetrahydroisoquinoline-3- carboxamide::US9783573, Example 52

SMILES: CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)OCc1cccc(c1)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C

InChI Key: InChIKey=DPHNGGGFYKHOKV-AZDADDNRSA-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 = 345202   

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 (Homo sapiens (Human))	BDBM345202 ((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)OCc1cccc(c1)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C63H83N9O8/c1-37(64-9)55(73)69-53(62(3,4)5)60(78)71-34-44-31-45(29-28-42(44)32-51(71)58(76)67-49-26-16-21-40-19-11-13-24-47(40)49)66-57(75)43-23-15-18-39(30-43)36-80-46-33-52(59(77)68-50-27-17-22-41-20-12-14-25-48(41)50)72(35-46)61(79)54(63(6,7)8)70-56(74)38(2)65-10/h11-15,18-20,23-25,28-31,37-38,46,49-54,64-65H,16-17,21-22,26-27,32-36H2,1-10H3,(H,66,75)(H,67,76)(H,68,77)(H,69,73)(H,70,74)/t37-,38-,46-,49+,50+,51-,52-,53+,54+/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	360	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
XIAP-BIR3 (Homo sapiens (Human))	BDBM345202 ((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)OCc1cccc(c1)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C63H83N9O8/c1-37(64-9)55(73)69-53(62(3,4)5)60(78)71-34-44-31-45(29-28-42(44)32-51(71)58(76)67-49-26-16-21-40-19-11-13-24-47(40)49)66-57(75)43-23-15-18-39(30-43)36-80-46-33-52(59(77)68-50-27-17-22-41-20-12-14-25-48(41)50)72(35-46)61(79)54(63(6,7)8)70-56(74)38(2)65-10/h11-15,18-20,23-25,28-31,37-38,46,49-54,64-65H,16-17,21-22,26-27,32-36H2,1-10H3,(H,66,75)(H,67,76)(H,68,77)(H,69,73)(H,70,74)/t37-,38-,46-,49+,50+,51-,52-,53+,54+/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	42	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