BDBM345164 N1,N4-bis((S)-2-((S)-3,3-Dimethyl-2-((S)-2- (methylamino)propanamido)butanoyl)-3- (((R)-2-methoxy-1-phenylethyl)carbamoyl)- 1,2,3,4-tetrahydroisoquinolin-7- yl)terephthalamide::US9783573, Example 14

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(COC)c3ccccc3)ccc2C[C@H]1C(=O)NC(COC)c1ccccc1)C(C)(C)C

InChI Key: InChIKey=XPTXHABMKLUTIY-KBAUTRCZSA-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 = 345164   

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))	BDBM345164 (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(COC)c3ccccc3)ccc2C[C@H]1C(=O)NC(COC)c1ccccc1)C(C)(C)C |r| Show InChI InChI=1S/C66H84N10O10/c1-39(67-9)57(77)73-55(65(3,4)5)63(83)75-35-47-31-49(29-27-45(47)33-53(75)61(81)71-51(37-85-11)41-19-15-13-16-20-41)69-59(79)43-23-25-44(26-24-43)60(80)70-50-30-28-46-34-54(62(82)72-52(38-86-12)42-21-17-14-18-22-42)76(36-48(46)32-50)64(84)56(66(6,7)8)74-58(78)40(2)68-10/h13-32,39-40,51-56,67-68H,33-38H2,1-12H3,(H,69,79)(H,70,80)(H,71,81)(H,72,82)(H,73,77)(H,74,78)/t39-,40-,51?,52?,53-,54-,55+,56+/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))	BDBM345164 (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(COC)c3ccccc3)ccc2C[C@H]1C(=O)NC(COC)c1ccccc1)C(C)(C)C |r| Show InChI InChI=1S/C66H84N10O10/c1-39(67-9)57(77)73-55(65(3,4)5)63(83)75-35-47-31-49(29-27-45(47)33-53(75)61(81)71-51(37-85-11)41-19-15-13-16-20-41)69-59(79)43-23-25-44(26-24-43)60(80)70-50-30-28-46-34-54(62(82)72-52(38-86-12)42-21-17-14-18-22-42)76(36-48(46)32-50)64(84)56(66(6,7)8)74-58(78)40(2)68-10/h13-32,39-40,51-56,67-68H,33-38H2,1-12H3,(H,69,79)(H,70,80)(H,71,81)(H,72,82)(H,73,77)(H,74,78)/t39-,40-,51?,52?,53-,54-,55+,56+/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