null

SMILES: CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1Cc2ccc(NC(=O)CNC(=O)[C@]3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc34)cc2[C@H]1C(=O)Nc1c(F)cccc1F

InChI Key: InChIKey=HOKHIOIWTNNVMY-JHJKZRHASA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 412169   

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))	BDBM412169 ((3S)-N-[2-[[(3S)-3-[(2,6- difluorophenyl)carbamoyl...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1Cc2ccc(NC(=O)CNC(=O)[C@]3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc34)cc2[C@H]1C(=O)Nc1c(F)cccc1F |r| Show InChI InChI=1S/C58H71F3N10O8/c1-34-28-69(43(26-63-34)30-68-19-22-79-32-35(68)2)31-50(73)71-33-58(4,45-16-11-38(24-48(45)71)23-37-9-13-41(59)14-10-37)57(77)64-27-49(72)65-42-15-12-40-29-70(53(44(40)25-42)55(75)67-52-46(60)7-6-8-47(52)61)56(76)51(39-17-20-78-21-18-39)66-54(74)36(3)62-5/h6-16,24-25,34-36,39,43,51,53,62-63H,17-23,26-33H2,1-5H3,(H,64,77)(H,65,72)(H,66,74)(H,67,75)/t34-,35-,36+,43-,51+,53+,58-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	2	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))	BDBM412169 ((3S)-N-[2-[[(3S)-3-[(2,6- difluorophenyl)carbamoyl...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1Cc2ccc(NC(=O)CNC(=O)[C@]3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc34)cc2[C@H]1C(=O)Nc1c(F)cccc1F |r| Show InChI InChI=1S/C58H71F3N10O8/c1-34-28-69(43(26-63-34)30-68-19-22-79-32-35(68)2)31-50(73)71-33-58(4,45-16-11-38(24-48(45)71)23-37-9-13-41(59)14-10-37)57(77)64-27-49(72)65-42-15-12-40-29-70(53(44(40)25-42)55(75)67-52-46(60)7-6-8-47(52)61)56(76)51(39-17-20-78-21-18-39)66-54(74)36(3)62-5/h6-16,24-25,34-36,39,43,51,53,62-63H,17-23,26-33H2,1-5H3,(H,64,77)(H,65,72)(H,66,74)(H,67,75)/t34-,35-,36+,43-,51+,53+,58-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	2	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))	BDBM412169 ((3S)-N-[2-[[(3S)-3-[(2,6- difluorophenyl)carbamoyl...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1Cc2ccc(NC(=O)CNC(=O)[C@]3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc34)cc2[C@H]1C(=O)Nc1c(F)cccc1F |r| Show InChI InChI=1S/C58H71F3N10O8/c1-34-28-69(43(26-63-34)30-68-19-22-79-32-35(68)2)31-50(73)71-33-58(4,45-16-11-38(24-48(45)71)23-37-9-13-41(59)14-10-37)57(77)64-27-49(72)65-42-15-12-40-29-70(53(44(40)25-42)55(75)67-52-46(60)7-6-8-47(52)61)56(76)51(39-17-20-78-21-18-39)66-54(74)36(3)62-5/h6-16,24-25,34-36,39,43,51,53,62-63H,17-23,26-33H2,1-5H3,(H,64,77)(H,65,72)(H,66,74)(H,67,75)/t34-,35-,36+,43-,51+,53+,58-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	34.8	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))	BDBM412169 ((3S)-N-[2-[[(3S)-3-[(2,6- difluorophenyl)carbamoyl...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1Cc2ccc(NC(=O)CNC(=O)[C@]3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc34)cc2[C@H]1C(=O)Nc1c(F)cccc1F |r| Show InChI InChI=1S/C58H71F3N10O8/c1-34-28-69(43(26-63-34)30-68-19-22-79-32-35(68)2)31-50(73)71-33-58(4,45-16-11-38(24-48(45)71)23-37-9-13-41(59)14-10-37)57(77)64-27-49(72)65-42-15-12-40-29-70(53(44(40)25-42)55(75)67-52-46(60)7-6-8-47(52)61)56(76)51(39-17-20-78-21-18-39)66-54(74)36(3)62-5/h6-16,24-25,34-36,39,43,51,53,62-63H,17-23,26-33H2,1-5H3,(H,64,77)(H,65,72)(H,66,74)(H,67,75)/t34-,35-,36+,43-,51+,53+,58-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	4	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