Compile Data Set for Download or QSAR

Found 212 hits Enz. Inhib. hit(s) with all data for entry = 4268   

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
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM32068 (1-ethyl-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,...) Show SMILES CCn1c(CSc2nnc(-c3cccnc3)n2-c2ccccc2C)nc2cc(ccc12)C(O)=O |(9.6,14.75,;8.1,14.43,;7.62,12.97,;8.52,11.73,;10.06,11.73,;10.83,10.4,;12.37,10.4,;13.27,11.64,;14.74,11.17,;14.74,9.63,;15.98,8.72,;17.39,9.35,;18.64,8.44,;18.48,6.91,;17.07,6.28,;15.82,7.19,;13.27,9.15,;12.8,7.69,;13.83,6.54,;13.35,5.08,;11.85,4.76,;10.81,5.9,;11.29,7.36,;10.26,8.51,;7.62,10.49,;6.16,10.96,;4.83,10.19,;3.49,10.96,;3.49,12.5,;4.83,13.27,;6.16,12.5,;2.16,10.19,;.83,10.96,;2.16,8.65,)| Show InChI InChI=1S/C25H22N6O2S/c1-3-30-21-11-10-17(24(32)33)13-19(21)27-22(30)15-34-25-29-28-23(18-8-6-12-26-14-18)31(25)20-9-5-4-7-16(20)2/h4-14H,3,15H2,1-2H3,(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	781	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM55315 (MLS000065641 | N-[4-ethyl-5-methyl-3-(piperidine-1...) Show SMILES CCc1c(C)sc(NC(=O)OC)c1C(=O)N1CCCCC1 Show InChI InChI=1S/C15H22N2O3S/c1-4-11-10(2)21-13(16-15(19)20-3)12(11)14(18)17-8-6-5-7-9-17/h4-9H2,1-3H3,(H,16,19)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM38667 ((2R)-2-(1-ketoisoindolin-2-yl)-2-phenyl-acetic aci...) Show SMILES OC(=O)[C@H](N1Cc2ccccc2C1=O)c1ccccc1 Show InChI InChI=1S/C16H13NO3/c18-15-13-9-5-4-8-12(13)10-17(15)14(16(19)20)11-6-2-1-3-7-11/h1-9,14H,10H2,(H,19,20)/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM59417 ((3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d...) Show SMILES CCCCSc1nnc-2c(OC(Nc3ccccc-23)C(=O)c2ccccc2)n1 Show InChI InChI=1S/C21H20N4O2S/c1-2-3-13-28-21-23-19-17(24-25-21)15-11-7-8-12-16(15)22-20(27-19)18(26)14-9-5-4-6-10-14/h4-12,20,22H,2-3,13H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM59334 (2-(1H-Benzoimidazol-2-yl)-1-(4-methyl-piperazin-1-...) Show SMILES CN1CCN(CC1)C(=O)Cc1nc2ccccc2[nH]1 Show InChI InChI=1S/C14H18N4O/c1-17-6-8-18(9-7-17)14(19)10-13-15-11-4-2-3-5-12(11)16-13/h2-5H,6-10H2,1H3,(H,15,16)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM41749 (2-(2-Methoxy-phenyl)-3-(3-trifluoromethyl-benzenes...) Show SMILES COc1ccccc1C1SCCN1S(=O)(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C17H16F3NO3S2/c1-24-15-8-3-2-7-14(15)16-21(9-10-25-16)26(22,23)13-6-4-5-12(11-13)17(18,19)20/h2-8,11,16H,9-10H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM59335 (3-(2,3-Dihydro-indol-1-yl)-propionic acid | 3-(2,3...) Show SMILES OC(=O)CCN1CCc2ccccc12 Show InChI InChI=1S/C11H13NO2/c13-11(14)6-8-12-7-5-9-3-1-2-4-10(9)12/h1-4H,5-8H2,(H,13,14)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM56893 (2-(4-Amino-4H-[1,2,4]triazol-3-ylsulfanyl)-N-[2-(3...) Show SMILES COc1ccc(CCNC(=O)CSc2nncn2N)cc1OC Show InChI InChI=1S/C14H19N5O3S/c1-21-11-4-3-10(7-12(11)22-2)5-6-16-13(20)8-23-14-18-17-9-19(14)15/h3-4,7,9H,5-6,8,15H2,1-2H3,(H,16,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM59336 (2-(N-(2,4-diketo-3-phenyl-thiazolidin-5-yl)-3-meth...) Show SMILES Cc1cccc(c1)N(CC(N)=O)c1sc(=O)n(c1O)-c1ccccc1 Show InChI InChI=1S/C18H17N3O3S/c1-12-6-5-9-14(10-12)20(11-15(19)22)17-16(23)21(18(24)25-17)13-7-3-2-4-8-13/h2-10,23H,11H2,1H3,(H2,19,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM59337 ((1-ethyl-2-quinolylidene)-(4-morpholinophenyl)amin...) Show SMILES CCn1c2ccccc2cc\c1=N/c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C21H23N3O/c1-2-24-20-6-4-3-5-17(20)7-12-21(24)22-18-8-10-19(11-9-18)23-13-15-25-16-14-23/h3-12H,2,13-16H2,1H3/b22-21+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM59338 (4-(3-Thiophen-2-yl-[1,2,4]oxadiazol-5-yl)-piperidi...) Show SMILES COc1ccc(NC(=O)N2CCC(CC2)c2nc(no2)-c2cccs2)cc1 Show InChI InChI=1S/C19H20N4O3S/c1-25-15-6-4-14(5-7-15)20-19(24)23-10-8-13(9-11-23)18-21-17(22-26-18)16-3-2-12-27-16/h2-7,12-13H,8-11H2,1H3,(H,20,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM59339 (1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-3-carbo...) Show SMILES Cc1cc(C)nc(n1)N1CCCC(C1)C(=O)Nc1cc(F)ccc1C Show InChI InChI=1S/C19H23FN4O/c1-12-6-7-16(20)10-17(12)23-18(25)15-5-4-8-24(11-15)19-21-13(2)9-14(3)22-19/h6-7,9-10,15H,4-5,8,11H2,1-3H3,(H,23,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM59340 (4-Methyl-2-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimid...) Show SMILES CC1(CC(=O)N=C2C=CC=CN12)C(=O)N(C(C(=O)NC1CCCC1)c1ccccn1)c1ccccc1 |c:7,9,t:5| Show InChI InChI=1S/C28H29N5O3/c1-28(19-24(34)31-23-16-8-10-18-32(23)28)27(36)33(21-13-3-2-4-14-21)25(22-15-7-9-17-29-22)26(35)30-20-11-5-6-12-20/h2-4,7-10,13-18,20,25H,5-6,11-12,19H2,1H3,(H,30,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM59341 (3-[(Benzyl-{1-[1-(2-methoxy-ethyl)-1H-tetrazol-5-y...) Show SMILES COCCn1nnnc1C(C(C)C)N(Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O Show InChI InChI=1S/C26H32N6O3/c1-18(2)24(25-28-29-30-32(25)12-13-34-3)31(16-19-8-6-5-7-9-19)17-21-14-20-15-22(35-4)10-11-23(20)27-26(21)33/h5-11,14-15,18,24H,12-13,16-17H2,1-4H3,(H,27,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM59342 (MLS000071150 | N-(5-chloranyl-4-methoxy-6-methyl-p...) Show SMILES COc1nc(NS(=O)(=O)c2ccc(C)cc2)nc(C)c1Cl Show InChI InChI=1S/C13H14ClN3O3S/c1-8-4-6-10(7-5-8)21(18,19)17-13-15-9(2)11(14)12(16-13)20-3/h4-7H,1-3H3,(H,15,16,17)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM36904 ((4Z)-4-[hydroxy-(4-methoxyphenyl)methylene]-5-(3-m...) Show SMILES COc1ccc(cc1)C(=O)C1C(N(CC2CCCO2)C(=O)C1=O)c1cccc(OC)c1 Show InChI InChI=1S/C24H25NO6/c1-29-17-10-8-15(9-11-17)22(26)20-21(16-5-3-6-18(13-16)30-2)25(24(28)23(20)27)14-19-7-4-12-31-19/h3,5-6,8-11,13,19-21H,4,7,12,14H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM59343 (MLS000082761 | N-(1,7-dimethyl-3-pyrazolo[3,4-b]qu...) Show SMILES Cc1ccc2cc3c(NC(=O)c4cccnc4)nn(C)c3nc2c1 Show InChI InChI=1S/C18H15N5O/c1-11-5-6-12-9-14-16(21-18(24)13-4-3-7-19-10-13)22-23(2)17(14)20-15(12)8-11/h3-10H,1-2H3,(H,21,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM59344 (3-(2-furanylmethyl)-8-methoxy-2-propyl[1]benzopyra...) Show SMILES CCCc1nc2oc3cc(OC)ccc3c(=O)c2c(=O)n1Cc1ccco1 Show InChI InChI=1S/C20H18N2O5/c1-3-5-16-21-19-17(20(24)22(16)11-13-6-4-9-26-13)18(23)14-8-7-12(25-2)10-15(14)27-19/h4,6-10H,3,5,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM59345 (2-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)quinaz...) Show SMILES Cc1ccc(cc1)-c1nc2ccccc2c(=O)n1CCN1CCOCC1 Show InChI InChI=1S/C21H23N3O2/c1-16-6-8-17(9-7-16)20-22-19-5-3-2-4-18(19)21(25)24(20)11-10-23-12-14-26-15-13-23/h2-9H,10-15H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM59346 (2-(cyclopentylamino)-9,10-dimethoxy-6,7-dihydropyr...) Show SMILES COc1cc2CCn3c(cc(NC4CCCC4)nc3=O)-c2cc1OC Show InChI InChI=1S/C19H23N3O3/c1-24-16-9-12-7-8-22-15(14(12)10-17(16)25-2)11-18(21-19(22)23)20-13-5-3-4-6-13/h9-11,13H,3-8H2,1-2H3,(H,20,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM38580 (3-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)su...) Show SMILES O=c1n(CSc2nnc(-c3cccs3)n2Cc2ccccc2)nnc2ccccc12 Show InChI InChI=1S/C21H16N6OS2/c28-20-16-9-4-5-10-17(16)22-25-27(20)14-30-21-24-23-19(18-11-6-12-29-18)26(21)13-15-7-2-1-3-8-15/h1-12H,13-14H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM59347 (1-[(2-keto-2-piperidino-ethyl)thio]-4-o-anisyl-[1,...) Show SMILES COc1ccccc1Cn1c2nnc(SCC(=O)N3CCCCC3)n2c2ccccc2c1=O Show InChI InChI=1S/C24H25N5O3S/c1-32-20-12-6-3-9-17(20)15-28-22(31)18-10-4-5-11-19(18)29-23(28)25-26-24(29)33-16-21(30)27-13-7-2-8-14-27/h3-6,9-12H,2,7-8,13-16H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM59348 (MLS000098561 | SMR000063148 | cid_2999649) Show SMILES CC\N=C1/Cn2c(CN1CC)nc1scc(-c3ccccc3)c1c2=O Show InChI InChI=1S/C19H20N4OS/c1-3-20-15-11-23-16(10-22(15)4-2)21-18-17(19(23)24)14(12-25-18)13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3/b20-15+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM59349 (MLS000054160 | SMR000062865 | [3-(4-hydroxyphenyl)...) Show SMILES CCOc1ccccc1N1CCN(CC1)C(=O)c1cccc(c1)-c1ccc(O)cc1 Show InChI InChI=1S/C25H26N2O3/c1-2-30-24-9-4-3-8-23(24)26-14-16-27(17-15-26)25(29)21-7-5-6-20(18-21)19-10-12-22(28)13-11-19/h3-13,18,28H,2,14-17H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM59350 (MLS000092383 | N-(2,3-dimethylcyclohexyl)-1-methyl...) Show SMILES CC1CCCC(NC(=O)c2cn(C)c3ccc(cc3c2=O)S(=O)(=O)N2CCCC2)C1C Show InChI InChI=1S/C23H31N3O4S/c1-15-7-6-8-20(16(15)2)24-23(28)19-14-25(3)21-10-9-17(13-18(21)22(19)27)31(29,30)26-11-4-5-12-26/h9-10,13-16,20H,4-8,11-12H2,1-3H3,(H,24,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM59351 (3-(4-chlorophenyl)-1-(2-furanylmethyl)-1-(3-pyridi...) Show SMILES Clc1ccc(NC(=O)N(Cc2ccco2)Cc2cccnc2)cc1 Show InChI InChI=1S/C18H16ClN3O2/c19-15-5-7-16(8-6-15)21-18(23)22(13-17-4-2-10-24-17)12-14-3-1-9-20-11-14/h1-11H,12-13H2,(H,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM59352 (3,4-dimethoxy-N-(2-methoxyphenyl)-N-[(2-oxidanylid...) Show SMILES COc1ccc(cc1OC)C(=O)N(CN1CCCC1=O)c1ccccc1OC Show InChI InChI=1S/C21H24N2O5/c1-26-17-8-5-4-7-16(17)23(14-22-12-6-9-20(22)24)21(25)15-10-11-18(27-2)19(13-15)28-3/h4-5,7-8,10-11,13H,6,9,12,14H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50822 (1-acetyl-N,N-bis(2-methylpropyl)-3,4-dihydro-2H-qu...) Show SMILES CC(C)CN(CC(C)C)S(=O)(=O)c1ccc2N(CCCc2c1)C(C)=O Show InChI InChI=1S/C19H30N2O3S/c1-14(2)12-20(13-15(3)4)25(23,24)18-8-9-19-17(11-18)7-6-10-21(19)16(5)22/h8-9,11,14-15H,6-7,10,12-13H2,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM59353 (2-(4-methoxyphenyl)-4-(4-piperonylpiperazine-1-car...) Show SMILES COc1ccc(cc1)-n1nc(C(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)c2ccccc2c1=O Show InChI InChI=1S/C28H26N4O5/c1-35-21-9-7-20(8-10-21)32-27(33)23-5-3-2-4-22(23)26(29-32)28(34)31-14-12-30(13-15-31)17-19-6-11-24-25(16-19)37-18-36-24/h2-11,16H,12-15,17-18H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM59354 (MLS000047536 | N-cyclohexyl-3-(4-methoxyphenyl)sul...) Show SMILES COc1ccc(cc1)S(=O)(=O)CCC(=O)NC1CCCCC1 Show InChI InChI=1S/C16H23NO4S/c1-21-14-7-9-15(10-8-14)22(19,20)12-11-16(18)17-13-5-3-2-4-6-13/h7-10,13H,2-6,11-12H2,1H3,(H,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM59355 (2-{3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropy...) Show SMILES [H]C12CC([H])(C=C1)C1C2C(=O)N(CCC(=O)N2CCN(CC2)c2ccccc2F)C1=O |c:5,TLB:29:7:2:6.5,THB:9:8:2:6.5| Show InChI InChI=1S/C22H24FN3O3/c23-16-3-1-2-4-17(16)24-9-11-25(12-10-24)18(27)7-8-26-21(28)19-14-5-6-15(13-14)20(19)22(26)29/h1-6,14-15,19-20H,7-13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM59356 (MLS000087389 | N-(2-thenyl)-5,6,7,8-tetrahydro-4H-...) Show SMILES O=C(NCc1cccs1)c1noc2CCCCCc12 Show InChI InChI=1S/C14H16N2O2S/c17-14(15-9-10-5-4-8-19-10)13-11-6-2-1-3-7-12(11)18-16-13/h4-5,8H,1-3,6-7,9H2,(H,15,17)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM59357 (4-[(4,7-dimethyl-2-oxidanylidene-chromen-6-yl)amin...) Show SMILES Cc1cc2oc(=O)cc(C)c2cc1NC(=O)CCC(O)=O Show InChI InChI=1S/C15H15NO5/c1-8-6-15(20)21-12-5-9(2)11(7-10(8)12)16-13(17)3-4-14(18)19/h5-7H,3-4H2,1-2H3,(H,16,17)(H,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM37302 (MLS000087458 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...) Show SMILES COc1ccc2-c3onc(C(=O)Nc4cc(C)n(Cc5ccc(Cl)cc5)n4)c3CCc2c1 Show InChI InChI=1S/C24H21ClN4O3/c1-14-11-21(27-29(14)13-15-3-6-17(25)7-4-15)26-24(30)22-20-9-5-16-12-18(31-2)8-10-19(16)23(20)32-28-22/h3-4,6-8,10-12H,5,9,13H2,1-2H3,(H,26,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM59358 (MLS000088533 | N-[[4-(4-fluorophenyl)-5-sulfanylid...) Show SMILES Fc1ccc(cc1)-n1c(CNC(=O)c2ccco2)n[nH]c1=S Show InChI InChI=1S/C14H11FN4O2S/c15-9-3-5-10(6-4-9)19-12(17-18-14(19)22)8-16-13(20)11-2-1-7-21-11/h1-7H,8H2,(H,16,20)(H,18,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM59359 (MLS000094180 | N-[2-(2-phenyl-1,3-thiazol-4-yl)eth...) Show SMILES CC(=O)NCCc1csc(n1)-c1ccccc1 Show InChI InChI=1S/C13H14N2OS/c1-10(16)14-8-7-12-9-17-13(15-12)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,16)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM59360 (MLS000045281 | N-(1,3-benzodioxol-5-yl)-3-keto-2-p...) Show SMILES CCCN1Cc2cccc(C(=O)Nc3ccc4OCOc4c3)c2C1=O Show InChI InChI=1S/C19H18N2O4/c1-2-8-21-10-12-4-3-5-14(17(12)19(21)23)18(22)20-13-6-7-15-16(9-13)25-11-24-15/h3-7,9H,2,8,10-11H2,1H3,(H,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM55106 (1-[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol...) Show SMILES Cc1cc(NC(=O)NC2(Oc3ccc(Cl)cc3O2)C(F)(F)F)no1 Show InChI InChI=1S/C13H9ClF3N3O4/c1-6-4-10(20-24-6)18-11(21)19-13(12(15,16)17)22-8-3-2-7(14)5-9(8)23-13/h2-5H,1H3,(H2,18,19,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM59361 (2-[(6-bromanyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfa...) Show SMILES Brc1cnc2nc(SCc3ccccc3C#N)[nH]c2c1 Show InChI InChI=1S/C14H9BrN4S/c15-11-5-12-13(17-7-11)19-14(18-12)20-8-10-4-2-1-3-9(10)6-16/h1-5,7H,8H2,(H,17,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM34414 (2-methyl-4-(3-phenyl[1,2,4]triazolo[3,4-b][1,3,4]t...) Show SMILES Cc1cc(-c2nn3c(nnc3s2)-c2ccccc2)c2ccccc2n1 Show InChI InChI=1S/C19H13N5S/c1-12-11-15(14-9-5-6-10-16(14)20-12)18-23-24-17(21-22-19(24)25-18)13-7-3-2-4-8-13/h2-11H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM49246 ((E)-1-(3-methoxyphenyl)-3-[(5-methyl-2-oxidanyl-ph...) Show SMILES COc1cccc(c1)C(=O)CC=Nc1cc(C)ccc1O |w:12.13| Show InChI InChI=1S/C17H17NO3/c1-12-6-7-17(20)15(10-12)18-9-8-16(19)13-4-3-5-14(11-13)21-2/h3-7,9-11,20H,8H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM59362 (MLS000049866 | N-(3-chloro-6-hydroxy-5-isopropyl-2...) Show SMILES COc1ccccc1-c1nnc(SCC(=O)NCc2c(C)c(Cl)cc(C(C)C)c2O)o1 Show InChI InChI=1S/C22H24ClN3O4S/c1-12(2)15-9-17(23)13(3)16(20(15)28)10-24-19(27)11-31-22-26-25-21(30-22)14-7-5-6-8-18(14)29-4/h5-9,12,28H,10-11H2,1-4H3,(H,24,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM49252 (2-(3,5-dimethoxyphenyl)-5-methyl-1,3-benzoxazole |...) Show SMILES COc1cc(OC)cc(c1)-c1nc2cc(C)ccc2o1 Show InChI InChI=1S/C16H15NO3/c1-10-4-5-15-14(6-10)17-16(20-15)11-7-12(18-2)9-13(8-11)19-3/h4-9H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM59363 (MLS000065818 | N-[5-(4-methoxyphenyl)-1,3,4-thiadi...) Show SMILES COc1ccc(cc1)-c1nnc(NC(=O)c2cc(C)on2)s1 Show InChI InChI=1S/C14H12N4O3S/c1-8-7-11(18-21-8)12(19)15-14-17-16-13(22-14)9-3-5-10(20-2)6-4-9/h3-7H,1-2H3,(H,15,17,19)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM59364 (2-(methanesulfonamido)benzene-1,4-dicarboxylic aci...) Show SMILES COC(=O)c1ccc(C(=O)OC)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C11H13NO6S/c1-17-10(13)7-4-5-8(11(14)18-2)9(6-7)12-19(3,15)16/h4-6,12H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM59365 (2-chloranyl-5-methylsulfanyl-N-propyl-benzamide | ...) Show SMILES CCCNC(=O)c1cc(SC)ccc1Cl Show InChI InChI=1S/C11H14ClNOS/c1-3-6-13-11(14)9-7-8(15-2)4-5-10(9)12/h4-5,7H,3,6H2,1-2H3,(H,13,14)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM59366 (1-(4-methoxy-2,3-dimethyl-phenyl)sulfonylpyrrolidi...) Show SMILES COc1ccc(c(C)c1C)S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C13H19NO3S/c1-10-11(2)13(7-6-12(10)17-3)18(15,16)14-8-4-5-9-14/h6-7H,4-5,8-9H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM59367 (2-(4-chloranyl-2-methyl-phenoxy)-N-[2-(hydroxymeth...) Show SMILES Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1CO Show InChI InChI=1S/C16H16ClNO3/c1-11-8-13(17)6-7-15(11)21-10-16(20)18-14-5-3-2-4-12(14)9-19/h2-8,19H,9-10H2,1H3,(H,18,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM59368 (1-[2-chloro-5-(4H-1,2,4-triazol-4-yl)benzoyl]-4-(4...) Show SMILES Clc1ccc(cc1C(=O)N1CCN(CC1)c1nc(cs1)-c1ccccc1)-n1cnnc1 Show InChI InChI=1S/C22H19ClN6OS/c23-19-7-6-17(29-14-24-25-15-29)12-18(19)21(30)27-8-10-28(11-9-27)22-26-20(13-31-22)16-4-2-1-3-5-16/h1-7,12-15H,8-11H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM59369 (2-[(4-piperidin-1-ylcarbonylphenyl)carbamoyl]bicyc...) Show SMILES [H]C12CC([H])(C=C1)C(C2C(O)=O)C(=O)Nc1ccc(cc1)C(=O)N1CCCCC1 |c:5,TLB:9:8:2:5.6,THB:12:7:2:5.6| Show InChI InChI=1S/C21H24N2O4/c24-19(17-14-4-5-15(12-14)18(17)21(26)27)22-16-8-6-13(7-9-16)20(25)23-10-2-1-3-11-23/h4-9,14-15,17-18H,1-3,10-12H2,(H,22,24)(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
					More data for this Ligand-Target Pair

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