null

SMILES: CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1cc(ccc1F)C(=O)Nc1ccc(NC(=O)C2(C)CN(C(=O)CN3C[C@@H](C)NC[C@@H]3CN3CCOC[C@H]3C)c3cc(Cc4ccc(F)cc4)ccc23)cc1

InChI Key: InChIKey=CVZJCEWUSZWWLC-IKPIZQADSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 412177   

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
E3 ubiquitin-protein ligase XIAP [124-240] (Homo sapiens (Human))	BDBM412177 (N-(4-(4-fluoro-3-((S)-2-((S)- 2-((S)-2- (methylami...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1cc(ccc1F)C(=O)Nc1ccc(NC(=O)C2(C)CN(C(=O)CN3C[C@@H](C)NC[C@@H]3CN3CCOC[C@H]3C)c3cc(Cc4ccc(F)cc4)ccc23)cc1 |r| Show InChI InChI=1S/C63H74F2N10O8/c1-38-32-73(49(31-67-38)34-72-24-27-83-36-39(72)2)35-55(76)75-37-63(4,51-20-12-42(29-54(51)75)28-41-10-14-46(64)15-11-41)62(81)69-48-18-16-47(17-19-48)68-59(78)44-13-21-52(65)53(30-44)70-60(79)57-50-9-7-6-8-45(50)33-74(57)61(80)56(43-22-25-82-26-23-43)71-58(77)40(3)66-5/h6-21,29-30,38-40,43,49,56-57,66-67H,22-28,31-37H2,1-5H3,(H,68,78)(H,69,81)(H,70,79)(H,71,77)/t38-,39-,40+,49-,56+,57+,63?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description For the Bir2 assay, 3.5 nanomolar of 6× Histidine-tagged BIR2 domain (6× Histidine disclosed as SEQ ID NO: 25), corresponding to amino acids 124-240 ...				US Patent US10398702 (2019) BindingDB Entry DOI: 10.7270/Q2VH5R67
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 [260-351] (Homo sapiens (Human))	BDBM412177 (N-(4-(4-fluoro-3-((S)-2-((S)- 2-((S)-2- (methylami...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1cc(ccc1F)C(=O)Nc1ccc(NC(=O)C2(C)CN(C(=O)CN3C[C@@H](C)NC[C@@H]3CN3CCOC[C@H]3C)c3cc(Cc4ccc(F)cc4)ccc23)cc1 |r| Show InChI InChI=1S/C63H74F2N10O8/c1-38-32-73(49(31-67-38)34-72-24-27-83-36-39(72)2)35-55(76)75-37-63(4,51-20-12-42(29-54(51)75)28-41-10-14-46(64)15-11-41)62(81)69-48-18-16-47(17-19-48)68-59(78)44-13-21-52(65)53(30-44)70-60(79)57-50-9-7-6-8-45(50)33-74(57)61(80)56(43-22-25-82-26-23-43)71-58(77)40(3)66-5/h6-21,29-30,38-40,43,49,56-57,66-67H,22-28,31-37H2,1-5H3,(H,68,78)(H,69,81)(H,70,79)(H,71,77)/t38-,39-,40+,49-,56+,57+,63?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description For the Bir3 assay, 25.5 nanomolar BIR3 domain, corresponding to amino acids 260-352 of cIAP, was mixed with 41 nM of the peptide AVPIAQKSEK-(ε-...				US Patent US10398702 (2019) BindingDB Entry DOI: 10.7270/Q2VH5R67
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 [174-256] (Homo sapiens (Human))	BDBM412177 (N-(4-(4-fluoro-3-((S)-2-((S)- 2-((S)-2- (methylami...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1cc(ccc1F)C(=O)Nc1ccc(NC(=O)C2(C)CN(C(=O)CN3C[C@@H](C)NC[C@@H]3CN3CCOC[C@H]3C)c3cc(Cc4ccc(F)cc4)ccc23)cc1 |r| Show InChI InChI=1S/C63H74F2N10O8/c1-38-32-73(49(31-67-38)34-72-24-27-83-36-39(72)2)35-55(76)75-37-63(4,51-20-12-42(29-54(51)75)28-41-10-14-46(64)15-11-41)62(81)69-48-18-16-47(17-19-48)68-59(78)44-13-21-52(65)53(30-44)70-60(79)57-50-9-7-6-8-45(50)33-74(57)61(80)56(43-22-25-82-26-23-43)71-58(77)40(3)66-5/h6-21,29-30,38-40,43,49,56-57,66-67H,22-28,31-37H2,1-5H3,(H,68,78)(H,69,81)(H,70,79)(H,71,77)/t38-,39-,40+,49-,56+,57+,63?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	327	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description For the Bir2 assay, 12 nanomolar of 6× Histidine-tagged BIR2 domain (6× Histidine38 disclosed as SEQ ID NO: 25), corresponding to amino acids 174-256...				US Patent US10398702 (2019) BindingDB Entry DOI: 10.7270/Q2VH5R67
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM412177 (N-(4-(4-fluoro-3-((S)-2-((S)- 2-((S)-2- (methylami...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1cc(ccc1F)C(=O)Nc1ccc(NC(=O)C2(C)CN(C(=O)CN3C[C@@H](C)NC[C@@H]3CN3CCOC[C@H]3C)c3cc(Cc4ccc(F)cc4)ccc23)cc1 |r| Show InChI InChI=1S/C63H74F2N10O8/c1-38-32-73(49(31-67-38)34-72-24-27-83-36-39(72)2)35-55(76)75-37-63(4,51-20-12-42(29-54(51)75)28-41-10-14-46(64)15-11-41)62(81)69-48-18-16-47(17-19-48)68-59(78)44-13-21-52(65)53(30-44)70-60(79)57-50-9-7-6-8-45(50)33-74(57)61(80)56(43-22-25-82-26-23-43)71-58(77)40(3)66-5/h6-21,29-30,38-40,43,49,56-57,66-67H,22-28,31-37H2,1-5H3,(H,68,78)(H,69,81)(H,70,79)(H,71,77)/t38-,39-,40+,49-,56+,57+,63?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description For the Bir3 assay, 13.3 nanomolar BIR3 domain, corresponding to amino acids 241-356 of XIAP, was mixed with 25.2 nM of the peptide AVPIAQKSEK-(ε...				US Patent US10398702 (2019) BindingDB Entry DOI: 10.7270/Q2VH5R67
					More data for this Ligand-Target Pair