Compile Data Set for Download or QSAR

Found 13 hits with Last Name = 'cairati' and Initial = 's'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50240586 (CHEMBL4098982) Show SMILES [H][C@]12CC[C@H](N1C(=O)[C@@H](NC(=O)[C@H](CC)NC)[C@@H](CNC(=O)c1ccccc1)CC2)C(=O)N[C@H](C(=O)NCCN(Cc1ccccn1)Cc1ccccn1)c1ccccc1 |r| Show InChI InChI=1S/C45H55N9O5/c1-3-37(46-2)42(56)52-40-33(28-50-41(55)32-16-8-5-9-17-32)20-21-36-22-23-38(54(36)45(40)59)43(57)51-39(31-14-6-4-7-15-31)44(58)49-26-27-53(29-34-18-10-12-24-47-34)30-35-19-11-13-25-48-35/h4-19,24-25,33,36-40,46H,3,20-23,26-30H2,1-2H3,(H,49,58)(H,50,55)(H,51,57)(H,52,56)/t33-,36+,37+,38+,39+,40+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Scienze e Tecnologie Molecolari (ISTM) Curated by ChEMBL					Assay Description Inhibition of SMAC derived peptide abuRPF-K(5-Fam)-NH2 interaction with recombinant human C-terminal 6His-tagged cIAP1 BIR3 domain (245 to 357 residu...				Bioorg Med Chem Lett 27: 2336-2344 (2017) Article DOI: 10.1016/j.bmcl.2017.04.032 BindingDB Entry DOI: 10.7270/Q2GH9M3B
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50240587 (CHEMBL4070316) Show SMILES [H][C@]12CC[C@H](N1C(=O)[C@@H](NC(=O)[C@H](CC)NC)[C@@H](CNC(=O)CCNC(=O)CN(Cc1ccccn1)Cc1ccccn1)CC2)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C46H57N9O5/c1-3-38(47-2)44(58)53-43-34(28-51-40(56)24-27-50-41(57)31-54(29-35-18-10-12-25-48-35)30-36-19-11-13-26-49-36)20-21-37-22-23-39(55(37)46(43)60)45(59)52-42(32-14-6-4-7-15-32)33-16-8-5-9-17-33/h4-19,25-26,34,37-39,42-43,47H,3,20-24,27-31H2,1-2H3,(H,50,57)(H,51,56)(H,52,59)(H,53,58)/t34-,37+,38+,39+,43+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Scienze e Tecnologie Molecolari (ISTM) Curated by ChEMBL					Assay Description Inhibition of SMAC derived peptide abuRPF-K(5-Fam)-NH2 interaction with recombinant human C-terminal 6His-tagged cIAP1 BIR3 domain (245 to 357 residu...				Bioorg Med Chem Lett 27: 2336-2344 (2017) Article DOI: 10.1016/j.bmcl.2017.04.032 BindingDB Entry DOI: 10.7270/Q2GH9M3B
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM32609 (1-aza-2-oxobicyclo[5.3.0]decane scaffold, 36b) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CNC(=O)c2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C36H43N5O4/c1-3-29(37-2)34(43)40-32-27(23-38-33(42)26-17-11-6-12-18-26)19-20-28-21-22-30(41(28)36(32)45)35(44)39-31(24-13-7-4-8-14-24)25-15-9-5-10-16-25/h4-18,27-32,37H,3,19-23H2,1-2H3,(H,38,42)(H,39,44)(H,40,43)/t27-,28+,29+,30+,32+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Scienze e Tecnologie Molecolari (ISTM) Curated by ChEMBL					Assay Description Inhibition of SMAC derived peptide abuRPF-K(5-Fam)-NH2 interaction with recombinant human C-terminal 6His-tagged cIAP1 BIR3 domain (245 to 357 residu...				Bioorg Med Chem Lett 27: 2336-2344 (2017) Article DOI: 10.1016/j.bmcl.2017.04.032 BindingDB Entry DOI: 10.7270/Q2GH9M3B
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50240589 (CHEMBL4091245) Show SMILES [H][C@]12CC[C@H](N1C(=O)[C@@H](NC(=O)[C@H](CC)NC)[C@@H](CNC(=O)CN(Cc1ccccn1)Cc1ccccn1)CC2)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C43H52N8O4/c1-3-36(44-2)41(53)49-40-32(26-47-38(52)29-50(27-33-18-10-12-24-45-33)28-34-19-11-13-25-46-34)20-21-35-22-23-37(51(35)43(40)55)42(54)48-39(30-14-6-4-7-15-30)31-16-8-5-9-17-31/h4-19,24-25,32,35-37,39-40,44H,3,20-23,26-29H2,1-2H3,(H,47,52)(H,48,54)(H,49,53)/t32-,35+,36+,37+,40+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Scienze e Tecnologie Molecolari (ISTM) Curated by ChEMBL					Assay Description Inhibition of SMAC derived peptide abuRPF-K(5-Fam)-NH2 interaction with recombinant human C-terminal 6His-tagged cIAP1 BIR3 domain (245 to 357 residu...				Bioorg Med Chem Lett 27: 2336-2344 (2017) Article DOI: 10.1016/j.bmcl.2017.04.032 BindingDB Entry DOI: 10.7270/Q2GH9M3B
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50240592 (CHEMBL4097534) Show SMILES [H][C@]12CC[C@H](N1C(=O)[C@@H](NC(=O)[C@H](CC)NC)[C@@H](CNC(=O)COCCOCCNC(=O)CN(Cc1ccccn1)Cc1ccccn1)CC2)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C49H63N9O7/c1-3-41(50-2)47(61)56-46-37(20-21-40-22-23-42(58(40)49(46)63)48(62)55-45(35-14-6-4-7-15-35)36-16-8-5-9-17-36)30-54-44(60)34-65-29-28-64-27-26-53-43(59)33-57(31-38-18-10-12-24-51-38)32-39-19-11-13-25-52-39/h4-19,24-25,37,40-42,45-46,50H,3,20-23,26-34H2,1-2H3,(H,53,59)(H,54,60)(H,55,62)(H,56,61)/t37-,40+,41+,42+,46+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Scienze e Tecnologie Molecolari (ISTM) Curated by ChEMBL					Assay Description Inhibition of SMAC derived peptide abuRPF-K(5-Fam)-NH2 interaction with recombinant human C-terminal 6His-tagged cIAP1 BIR3 domain (245 to 357 residu...				Bioorg Med Chem Lett 27: 2336-2344 (2017) Article DOI: 10.1016/j.bmcl.2017.04.032 BindingDB Entry DOI: 10.7270/Q2GH9M3B
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50240588 (CHEMBL4079500) Show SMILES [H][C@]12CC[C@H](N1C(=O)[C@@H](NC(=O)[C@H](CC)NC)[C@@H](CNC(=O)CCCCCCCCCCNC(=O)CN(Cc1ccccn1)Cc1ccccn1)CC2)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C54H73N9O5/c1-3-46(55-2)52(66)61-51-42(29-30-45-31-32-47(63(45)54(51)68)53(67)60-50(40-22-12-10-13-23-40)41-24-14-11-15-25-41)36-59-48(64)28-16-8-6-4-5-7-9-19-35-58-49(65)39-62(37-43-26-17-20-33-56-43)38-44-27-18-21-34-57-44/h10-15,17-18,20-27,33-34,42,45-47,50-51,55H,3-9,16,19,28-32,35-39H2,1-2H3,(H,58,65)(H,59,64)(H,60,67)(H,61,66)/t42-,45+,46+,47+,51+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Scienze e Tecnologie Molecolari (ISTM) Curated by ChEMBL					Assay Description Inhibition of SMAC derived peptide abuRPF-K(5-Fam)-NH2 interaction with recombinant human C-terminal 6His-tagged cIAP1 BIR3 domain (245 to 357 residu...				Bioorg Med Chem Lett 27: 2336-2344 (2017) Article DOI: 10.1016/j.bmcl.2017.04.032 BindingDB Entry DOI: 10.7270/Q2GH9M3B
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50240586 (CHEMBL4098982) Show SMILES [H][C@]12CC[C@H](N1C(=O)[C@@H](NC(=O)[C@H](CC)NC)[C@@H](CNC(=O)c1ccccc1)CC2)C(=O)N[C@H](C(=O)NCCN(Cc1ccccn1)Cc1ccccn1)c1ccccc1 |r| Show InChI InChI=1S/C45H55N9O5/c1-3-37(46-2)42(56)52-40-33(28-50-41(55)32-16-8-5-9-17-32)20-21-36-22-23-38(54(36)45(40)59)43(57)51-39(31-14-6-4-7-15-31)44(58)49-26-27-53(29-34-18-10-12-24-47-34)30-35-19-11-13-25-48-35/h4-19,24-25,33,36-40,46H,3,20-23,26-30H2,1-2H3,(H,49,58)(H,50,55)(H,51,57)(H,52,56)/t33-,36+,37+,38+,39+,40+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Scienze e Tecnologie Molecolari (ISTM) Curated by ChEMBL					Assay Description Displacement of FITC-Smac from human recombinant His-tagged XIAP BIR3 domain (241 to 356 residues) expressed in Escherichia coli BL21(DE3) cells afte...				Bioorg Med Chem Lett 26: 4613-4619 (2016) Article DOI: 10.1016/j.bmcl.2016.08.065 BindingDB Entry DOI: 10.7270/Q2BV7M5P
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50535120 (CHEMBL4451097) Show SMILES [H][C@]12CC[C@H](N1C(=O)[C@@H](NC(=O)[C@H](CC)NC)[C@@H](CNC(=O)c1ccccc1)CC2)C(=O)N[C@H](C(=O)N(Cc1ccccn1)Cc1ccccn1)c1ccccc1 |r| Show InChI InChI=1S/C43H50N8O5/c1-3-35(44-2)40(53)48-38-31(26-47-39(52)30-16-8-5-9-17-30)20-21-34-22-23-36(51(34)43(38)56)41(54)49-37(29-14-6-4-7-15-29)42(55)50(27-32-18-10-12-24-45-32)28-33-19-11-13-25-46-33/h4-19,24-25,31,34-38,44H,3,20-23,26-28H2,1-2H3,(H,47,52)(H,48,53)(H,49,54)/t31-,34+,35+,36+,37+,38+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Scienze e Tecnologie Molecolari (ISTM) Curated by ChEMBL					Assay Description Displacement of FITC-Smac from human recombinant His-tagged XIAP BIR3 domain (241 to 356 residues) expressed in Escherichia coli BL21(DE3) cells afte...				Bioorg Med Chem Lett 26: 4613-4619 (2016) Article DOI: 10.1016/j.bmcl.2016.08.065 BindingDB Entry DOI: 10.7270/Q2BV7M5P
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50535123 (CHEMBL4552544) Show SMILES [H][C@]12CC[C@H](N1C(=O)[C@@H](NC(=O)[C@H](CC)NC)[C@@H](CCNC(=O)c1ccccc1)CC2)C(=O)N[C@H](C(=O)N\N=C\c1cccc(CC=C)c1O)c1ccccc1 |r| Show InChI InChI=1S/C42H51N7O6/c1-4-13-29-18-12-19-31(37(29)50)26-45-48-41(54)35(27-14-8-6-9-15-27)46-40(53)34-23-22-32-21-20-28(24-25-44-38(51)30-16-10-7-11-17-30)36(42(55)49(32)34)47-39(52)33(5-2)43-3/h4,6-12,14-19,26,28,32-36,43,50H,1,5,13,20-25H2,2-3H3,(H,44,51)(H,46,53)(H,47,52)(H,48,54)/b45-26+/t28-,32+,33+,34+,35+,36+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Scienze e Tecnologie Molecolari (ISTM) Curated by ChEMBL					Assay Description Displacement of FITC-Smac from human recombinant His-tagged XIAP BIR3 domain (241 to 356 residues) expressed in Escherichia coli BL21(DE3) cells afte...				Bioorg Med Chem Lett 26: 4613-4619 (2016) Article DOI: 10.1016/j.bmcl.2016.08.065 BindingDB Entry DOI: 10.7270/Q2BV7M5P
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50535122 (CHEMBL4452878) Show SMILES [H][C@]12CC[C@H](N1C(=O)[C@@H](NC(=O)[C@H](CC)NC)[C@@H](CNC(=O)c1ccccc1)CC2)C(=O)N[C@@H](C(=O)NCCN(Cc1ccccn1)Cc1ccccn1)c1ccccc1 |r| Show InChI InChI=1S/C45H55N9O5/c1-3-37(46-2)42(56)52-40-33(28-50-41(55)32-16-8-5-9-17-32)20-21-36-22-23-38(54(36)45(40)59)43(57)51-39(31-14-6-4-7-15-31)44(58)49-26-27-53(29-34-18-10-12-24-47-34)30-35-19-11-13-25-48-35/h4-19,24-25,33,36-40,46H,3,20-23,26-30H2,1-2H3,(H,49,58)(H,50,55)(H,51,57)(H,52,56)/t33-,36+,37+,38+,39-,40+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Scienze e Tecnologie Molecolari (ISTM) Curated by ChEMBL					Assay Description Displacement of FITC-Smac from human recombinant His-tagged XIAP BIR3 domain (241 to 356 residues) expressed in Escherichia coli BL21(DE3) cells afte...				Bioorg Med Chem Lett 26: 4613-4619 (2016) Article DOI: 10.1016/j.bmcl.2016.08.065 BindingDB Entry DOI: 10.7270/Q2BV7M5P
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50535121 (CHEMBL4452014) Show SMILES [H][C@]12CC[C@H](N1C(=O)[C@@H](NC(=O)[C@H](CC)NC)[C@@H](CNC(=O)c1ccccc1)CC2)C(=O)N[C@@H](C(=O)N(Cc1ccccn1)Cc1ccccn1)c1ccccc1 |r| Show InChI InChI=1S/C43H50N8O5/c1-3-35(44-2)40(53)48-38-31(26-47-39(52)30-16-8-5-9-17-30)20-21-34-22-23-36(51(34)43(38)56)41(54)49-37(29-14-6-4-7-15-29)42(55)50(27-32-18-10-12-24-45-32)28-33-19-11-13-25-46-33/h4-19,24-25,31,34-38,44H,3,20-23,26-28H2,1-2H3,(H,47,52)(H,48,53)(H,49,54)/t31-,34+,35+,36+,37-,38+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Scienze e Tecnologie Molecolari (ISTM) Curated by ChEMBL					Assay Description Displacement of FITC-Smac from human recombinant His-tagged XIAP BIR3 domain (241 to 356 residues) expressed in Escherichia coli BL21(DE3) cells afte...				Bioorg Med Chem Lett 26: 4613-4619 (2016) Article DOI: 10.1016/j.bmcl.2016.08.065 BindingDB Entry DOI: 10.7270/Q2BV7M5P
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50535119 (CHEMBL4457255) Show SMILES [H][C@]12CC[C@H](N1C(=O)[C@@H](NC(=O)[C@H](CC)NC)[C@@H](CNC(=O)c1ccccc1)CC2)C(=O)N(Cc1ccccn1)Cc1ccccn1 |r| Show InChI InChI=1S/C35H43N7O4/c1-3-29(36-2)33(44)40-31-25(21-39-32(43)24-11-5-4-6-12-24)15-16-28-17-18-30(42(28)35(31)46)34(45)41(22-26-13-7-9-19-37-26)23-27-14-8-10-20-38-27/h4-14,19-20,25,28-31,36H,3,15-18,21-23H2,1-2H3,(H,39,43)(H,40,44)/t25-,28+,29+,30+,31+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Scienze e Tecnologie Molecolari (ISTM) Curated by ChEMBL					Assay Description Displacement of FITC-Smac from human recombinant His-tagged XIAP BIR3 domain (241 to 356 residues) expressed in Escherichia coli BL21(DE3) cells afte...				Bioorg Med Chem Lett 26: 4613-4619 (2016) Article DOI: 10.1016/j.bmcl.2016.08.065 BindingDB Entry DOI: 10.7270/Q2BV7M5P
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM36363 (CID6851947 | PAC-1 | US10166229, Example PAC-1) Show SMILES Oc1c(CC=C)cccc1\C=N\NC(=O)CN1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H28N4O2/c1-2-7-20-10-6-11-21(23(20)29)16-24-25-22(28)18-27-14-12-26(13-15-27)17-19-8-4-3-5-9-19/h2-6,8-11,16,29H,1,7,12-15,17-18H2,(H,25,28)/b24-16+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Scienze e Tecnologie Molecolari (ISTM) Curated by ChEMBL					Assay Description Displacement of FITC-Smac from human recombinant His-tagged XIAP BIR3 domain (241 to 356 residues) expressed in Escherichia coli BL21(DE3) cells afte...				Bioorg Med Chem Lett 26: 4613-4619 (2016) Article DOI: 10.1016/j.bmcl.2016.08.065 BindingDB Entry DOI: 10.7270/Q2BV7M5P
					More data for this Ligand-Target Pair