BDBM345163 N1-((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)-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 13

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(COC)c1ccccc1)C(C)(C)C

InChI Key: InChIKey=BHASZCHHIQDISV-SMLDLAEESA-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 = 345163   

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))	BDBM345163 (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(COC)c1ccccc1)C(C)(C)C |r| Show InChI InChI=1S/C62H82N10O9/c1-36(63-9)53(73)69-51(61(3,4)5)59(79)71-33-43-30-44(29-28-42(43)31-49(71)57(77)68-48(35-81-11)39-19-13-12-14-20-39)65-55(75)40-24-26-41(27-25-40)56(76)66-45-32-50(58(78)67-47-23-17-21-38-18-15-16-22-46(38)47)72(34-45)60(80)52(62(6,7)8)70-54(74)37(2)64-10/h12-16,18-20,22,24-30,36-37,45,47-52,63-64H,17,21,23,31-35H2,1-11H3,(H,65,75)(H,66,76)(H,67,78)(H,68,77)(H,69,73)(H,70,74)/t36-,37-,45-,47?,48?,49-,50-,51+,52+/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	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))	BDBM345163 (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(COC)c1ccccc1)C(C)(C)C |r| Show InChI InChI=1S/C62H82N10O9/c1-36(63-9)53(73)69-51(61(3,4)5)59(79)71-33-43-30-44(29-28-42(43)31-49(71)57(77)68-48(35-81-11)39-19-13-12-14-20-39)65-55(75)40-24-26-41(27-25-40)56(76)66-45-32-50(58(78)67-47-23-17-21-38-18-15-16-22-46(38)47)72(34-45)60(80)52(62(6,7)8)70-54(74)37(2)64-10/h12-16,18-20,22,24-30,36-37,45,47-52,63-64H,17,21,23,31-35H2,1-11H3,(H,65,75)(H,66,76)(H,67,78)(H,68,77)(H,69,73)(H,70,74)/t36-,37-,45-,47?,48?,49-,50-,51+,52+/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	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-BIR3 (241-356, XIA...				US Patent US9783573 (2017) BindingDB Entry DOI: 10.7270/Q24B33FH
					More data for this Ligand-Target Pair