BDBM345162 N1,N4-bis((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)terephthalamide::US9783573, Example 12

SMILES: CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(NC(=O)c3ccc(cc3)C(=O)Nc3ccc4C[C@H](N(Cc4c3)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC(C)c3ccccc3F)ccc2C[C@H]1C(=O)NC(C)c1ccccc1F)C(C)(C)C

InChI Key: InChIKey=HCIJWALQGPLBEB-XMVXTKETSA-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 = 345162   

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))	BDBM345162 (N1,N4-bis((S)-2-((S)-3,3-Dimethyl-2-((S)-2- (methy...) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(NC(=O)c3ccc(cc3)C(=O)Nc3ccc4C[C@H](N(Cc4c3)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC(C)c3ccccc3F)ccc2C[C@H]1C(=O)NC(C)c1ccccc1F)C(C)(C)C |r| Show InChI InChI=1S/C64H78F2N10O8/c1-35(47-17-13-15-19-49(47)65)69-59(81)51-31-41-25-27-45(29-43(41)33-75(51)61(83)53(63(5,6)7)73-55(77)37(3)67-11)71-57(79)39-21-23-40(24-22-39)58(80)72-46-28-26-42-32-52(60(82)70-36(2)48-18-14-16-20-50(48)66)76(34-44(42)30-46)62(84)54(64(8,9)10)74-56(78)38(4)68-12/h13-30,35-38,51-54,67-68H,31-34H2,1-12H3,(H,69,81)(H,70,82)(H,71,79)(H,72,80)(H,73,77)(H,74,78)/t35?,36?,37-,38-,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	2.00E+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
XIAP-BIR3 (Homo sapiens (Human))	BDBM345162 (N1,N4-bis((S)-2-((S)-3,3-Dimethyl-2-((S)-2- (methy...) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(NC(=O)c3ccc(cc3)C(=O)Nc3ccc4C[C@H](N(Cc4c3)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC(C)c3ccccc3F)ccc2C[C@H]1C(=O)NC(C)c1ccccc1F)C(C)(C)C |r| Show InChI InChI=1S/C64H78F2N10O8/c1-35(47-17-13-15-19-49(47)65)69-59(81)51-31-41-25-27-45(29-43(41)33-75(51)61(83)53(63(5,6)7)73-55(77)37(3)67-11)71-57(79)39-21-23-40(24-22-39)58(80)72-46-28-26-42-32-52(60(82)70-36(2)48-18-14-16-20-50(48)66)76(34-44(42)30-46)62(84)54(64(8,9)10)74-56(78)38(4)68-12/h13-30,35-38,51-54,67-68H,31-34H2,1-12H3,(H,69,81)(H,70,82)(H,71,79)(H,72,80)(H,73,77)(H,74,78)/t35?,36?,37-,38-,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	130	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