BDBM345184 N1-((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)-N4- ((S)-2-((S)-2-((S)-2-(ethylamino) propanamido)-3,3- dimethylbutanoyl)-3-(((R)- 1,2,3,4-tetrahydronaphthalen-1- yl)carbamoyl)-1,2,3,4- tetrahydroisoquinolin-7- yl)terephthalamide::US9783573, Example 34

SMILES: CCN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(NC(=O)c3ccc(cc3)C(=O)NC3CC(N(C3)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC3CCCc4ccccc34)ccc2CC1C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C

InChI Key: InChIKey=FIHIJMZKMXZYNS-GEDFJSBOSA-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 = 345184   

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))	BDBM345184 (N1-((3S,5S)-1-((S)-3,3-dimethyl- 2-((S)-2-(methyla...) Show SMILES CCN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(NC(=O)c3ccc(cc3)C(=O)NC3CC(N(C3)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC3CCCc4ccccc34)ccc2CC1C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C64H84N10O8/c1-11-66-38(3)56(76)72-53(63(4,5)6)61(81)73-35-44-32-45(31-30-43(44)33-51(73)59(79)69-49-24-16-20-39-18-12-14-22-47(39)49)67-57(77)41-26-28-42(29-27-41)58(78)68-46-34-52(60(80)70-50-25-17-21-40-19-13-15-23-48(40)50)74(36-46)62(82)54(64(7,8)9)71-55(75)37(2)65-10/h12-15,18-19,22-23,26-32,37-38,46,49-54,65-66H,11,16-17,20-21,24-25,33-36H2,1-10H3,(H,67,77)(H,68,78)(H,69,79)(H,70,80)(H,71,75)(H,72,76)/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	410	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))	BDBM345184 (N1-((3S,5S)-1-((S)-3,3-dimethyl- 2-((S)-2-(methyla...) Show SMILES CCN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(NC(=O)c3ccc(cc3)C(=O)NC3CC(N(C3)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC3CCCc4ccccc34)ccc2CC1C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C64H84N10O8/c1-11-66-38(3)56(76)72-53(63(4,5)6)61(81)73-35-44-32-45(31-30-43(44)33-51(73)59(79)69-49-24-16-20-39-18-12-14-22-47(39)49)67-57(77)41-26-28-42(29-27-41)58(78)68-46-34-52(60(80)70-50-25-17-21-40-19-13-15-23-48(40)50)74(36-46)62(82)54(64(7,8)9)71-55(75)37(2)65-10/h12-15,18-19,22-23,26-32,37-38,46,49-54,65-66H,11,16-17,20-21,24-25,33-36H2,1-10H3,(H,67,77)(H,68,78)(H,69,79)(H,70,80)(H,71,75)(H,72,76)/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	150	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