BDBM345172 (S)-2-((S)-3,3-Dimethyl-2-((S)-2-(methylamino) propanamido)butanoyl)-N7-(4-(((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)oxazol-2-yl)- N3-((R)-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,4- tetrahydroisoquinoline-3,7-dicarboxamide::US9783573, Example 22

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)c1coc(NC(=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)n1)C(C)(C)C

InChI Key: InChIKey=WZONVNDJZGEOPI-FRSYPQKNSA-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 = 345172   

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))	BDBM345172 ((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)c1coc(NC(=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)n1)C(C)(C)C Show InChI InChI=1S/C60H79N11O9/c1-33(61-9)50(72)67-48(59(3,4)5)56(78)70-30-39-27-38(26-25-37(39)28-46(70)54(76)64-43-23-15-19-35-17-11-13-21-41(35)43)52(74)69-58-66-45(32-80-58)53(75)63-40-29-47(55(77)65-44-24-16-20-36-18-12-14-22-42(36)44)71(31-40)57(79)49(60(6,7)8)68-51(73)34(2)62-10/h11-14,17-18,21-22,25-27,32-34,40,43-44,46-49,61-62H,15-16,19-20,23-24,28-31H2,1-10H3,(H,63,75)(H,64,76)(H,65,77)(H,67,72)(H,68,73)(H,66,69,74)/t33-,34-,40-,43+,44+,46-,47-,48+,49+/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))	BDBM345172 ((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)c1coc(NC(=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)n1)C(C)(C)C Show InChI InChI=1S/C60H79N11O9/c1-33(61-9)50(72)67-48(59(3,4)5)56(78)70-30-39-27-38(26-25-37(39)28-46(70)54(76)64-43-23-15-19-35-17-11-13-21-41(35)43)52(74)69-58-66-45(32-80-58)53(75)63-40-29-47(55(77)65-44-24-16-20-36-18-12-14-22-42(36)44)71(31-40)57(79)49(60(6,7)8)68-51(73)34(2)62-10/h11-14,17-18,21-22,25-27,32-34,40,43-44,46-49,61-62H,15-16,19-20,23-24,28-31H2,1-10H3,(H,63,75)(H,64,76)(H,65,77)(H,67,72)(H,68,73)(H,66,69,74)/t33-,34-,40-,43+,44+,46-,47-,48+,49+/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	14	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