BDBM345161 N1-((S)-2-((S)-3,3-Dimethyl-2-((S)-2- (methylamino)propanamido)butanoyl)-3- (((R)-1-(2-fluorophenyl)ethyl)carbamoyl)- 1,2,3,4-tetrahydroisoquinolin-7-yl)-N4- ((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)terephthalamide::US9783573, Example 11

SMILES: CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)c1ccc(cc1)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC(C)c1ccccc1F)C(C)(C)C

InChI Key: InChIKey=PFUPNPPJJNJCGN-BWJQVGBUSA-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 = 345161   

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))	BDBM345161 (N1-((S)-2-((S)-3,3-Dimethyl-2-((S)-2- (methylamino...) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)c1ccc(cc1)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC(C)c1ccccc1F)C(C)(C)C |r| Show InChI InChI=1S/C61H79FN10O8/c1-34(44-19-14-15-21-46(44)62)65-56(77)48-30-40-27-28-42(29-41(40)32-71(48)58(79)50(60(4,5)6)69-52(73)35(2)63-10)66-54(75)38-23-25-39(26-24-38)55(76)67-43-31-49(57(78)68-47-22-16-18-37-17-12-13-20-45(37)47)72(33-43)59(80)51(61(7,8)9)70-53(74)36(3)64-11/h12-15,17,19-21,23-29,34-36,43,47-51,63-64H,16,18,22,30-33H2,1-11H3,(H,65,77)(H,66,75)(H,67,76)(H,68,78)(H,69,73)(H,70,74)/t34?,35-,36-,43-,47?,48-,49-,50+,51+/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	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))	BDBM345161 (N1-((S)-2-((S)-3,3-Dimethyl-2-((S)-2- (methylamino...) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)c1ccc(cc1)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC(C)c1ccccc1F)C(C)(C)C |r| Show InChI InChI=1S/C61H79FN10O8/c1-34(44-19-14-15-21-46(44)62)65-56(77)48-30-40-27-28-42(29-41(40)32-71(48)58(79)50(60(4,5)6)69-52(73)35(2)63-10)66-54(75)38-23-25-39(26-24-38)55(76)67-43-31-49(57(78)68-47-22-16-18-37-17-12-13-20-45(37)47)72(33-43)59(80)51(61(7,8)9)70-53(74)36(3)64-11/h12-15,17,19-21,23-29,34-36,43,47-51,63-64H,16,18,22,30-33H2,1-11H3,(H,65,77)(H,66,75)(H,67,76)(H,68,78)(H,69,73)(H,70,74)/t34?,35-,36-,43-,47?,48-,49-,50+,51+/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	18	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