Compile Data Set for Download or QSAR

Found 179 hits with Last Name = 'wettstein' and Initial = 'd'   

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
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50348075 (CHEMBL1800705) Show SMILES COc1cccc(NCCC2(CC(C)(C)OC(C)(C)C2)c2ccccc2)c1 Show InChI InChI=1S/C24H33NO2/c1-22(2)17-24(18-23(3,4)27-22,19-10-7-6-8-11-19)14-15-25-20-12-9-13-21(16-20)26-5/h6-13,16,25H,14-15,17-18H2,1-5H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...				J Med Chem 54: 5031-47 (2011) Article DOI: 10.1021/jm200249a BindingDB Entry DOI: 10.7270/Q2XW4K49
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50348068 (CHEMBL1800516) Show SMILES CC1(C)CC(CCNc2cccc(Cl)c2)(CCO1)c1cccs1 Show InChI InChI=1S/C19H24ClNOS/c1-18(2)14-19(9-11-22-18,17-7-4-12-23-17)8-10-21-16-6-3-5-15(20)13-16/h3-7,12-13,21H,8-11,14H2,1-2H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...				J Med Chem 54: 5031-47 (2011) Article DOI: 10.1021/jm200249a BindingDB Entry DOI: 10.7270/Q2XW4K49
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50348065 (CHEMBL1800513) Show SMILES COc1cccc(NCCC2(CCOC(C)(C)C2)c2cccc(F)c2)c1 Show InChI InChI=1S/C22H28FNO2/c1-21(2)16-22(11-13-26-21,17-6-4-7-18(23)14-17)10-12-24-19-8-5-9-20(15-19)25-3/h4-9,14-15,24H,10-13,16H2,1-3H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...				J Med Chem 54: 5031-47 (2011) Article DOI: 10.1021/jm200249a BindingDB Entry DOI: 10.7270/Q2XW4K49
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50485848 (CHEMBL2170479) Show SMILES Nc1ncnc2n(CCC3CCN(CC3)C=O)c(Sc3cc4OCCc4cc3Br)nc12 Show InChI InChI=1S/C21H23BrN6O2S/c22-15-9-14-4-8-30-16(14)10-17(15)31-21-26-18-19(23)24-11-25-20(18)28(21)7-3-13-1-5-27(12-29)6-2-13/h9-13H,1-8H2,(H2,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis Inc. Curated by ChEMBL					Assay Description Inhibition of human HSP90 in HCT116 cells expressing Her2 gene assessed as degradation of Her2 after 4 hrs by luciferase reporter gene assay				J Med Chem 55: 7480-501 (2012) Article DOI: 10.1021/jm3004619 BindingDB Entry DOI: 10.7270/Q2CC13JM
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50348085 (CHEMBL1800715) Show SMILES COc1cccc(NCC[C@]2(CCOC(C)(C)C2)c2ccccc2)c1 |r| Show InChI InChI=1S/C22H29NO2/c1-21(2)17-22(13-15-25-21,18-8-5-4-6-9-18)12-14-23-19-10-7-11-20(16-19)24-3/h4-11,16,23H,12-15,17H2,1-3H3/t22-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...				J Med Chem 54: 5031-47 (2011) Article DOI: 10.1021/jm200249a BindingDB Entry DOI: 10.7270/Q2XW4K49
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50348029 (CHEMBL1800426) Show SMILES COc1cccc(NCCC2(CCOC(C)(C)C2)c2ccccc2)c1 Show InChI InChI=1S/C22H29NO2/c1-21(2)17-22(13-15-25-21,18-8-5-4-6-9-18)12-14-23-19-10-7-11-20(16-19)24-3/h4-11,16,23H,12-15,17H2,1-3H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...				J Med Chem 54: 5031-47 (2011) Article DOI: 10.1021/jm200249a BindingDB Entry DOI: 10.7270/Q2XW4K49
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50348074 (CHEMBL1800522) Show SMILES CC1(C)CC(CCNc2ccccc2)(CC(C)(C)O1)c1ccccc1 Show InChI InChI=1S/C23H31NO/c1-21(2)17-23(18-22(3,4)25-21,19-11-7-5-8-12-19)15-16-24-20-13-9-6-10-14-20/h5-14,24H,15-18H2,1-4H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...				J Med Chem 54: 5031-47 (2011) Article DOI: 10.1021/jm200249a BindingDB Entry DOI: 10.7270/Q2XW4K49
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50348066 (CHEMBL1800514) Show SMILES COc1cccc(NCCC2(CCOC(C)(C)C2)c2cccs2)c1 Show InChI InChI=1S/C20H27NO2S/c1-19(2)15-20(10-12-23-19,18-8-5-13-24-18)9-11-21-16-6-4-7-17(14-16)22-3/h4-8,13-14,21H,9-12,15H2,1-3H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...				J Med Chem 54: 5031-47 (2011) Article DOI: 10.1021/jm200249a BindingDB Entry DOI: 10.7270/Q2XW4K49
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50485868 (CHEMBL2170484) Show SMILES Nc1ncnc2n(CCC3CCN(CC3)C=O)c(Sc3cc4CCCc4cc3Br)nc12 Show InChI InChI=1S/C22H25BrN6OS/c23-17-10-15-2-1-3-16(15)11-18(17)31-22-27-19-20(24)25-12-26-21(19)29(22)9-6-14-4-7-28(13-30)8-5-14/h10-14H,1-9H2,(H2,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis Inc. Curated by ChEMBL					Assay Description Inhibition of human HSP90 using BODIPY labelled geldanamycin as substrate by fluorescence polarization assay				J Med Chem 55: 7480-501 (2012) Article DOI: 10.1021/jm3004619 BindingDB Entry DOI: 10.7270/Q2CC13JM
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50348051 (CHEMBL1800498) Show SMILES CC1(C)CC(CCNc2ccc(F)c(Cl)c2)(CCO1)c1ccccc1 Show InChI InChI=1S/C21H25ClFNO/c1-20(2)15-21(11-13-25-20,16-6-4-3-5-7-16)10-12-24-17-8-9-19(23)18(22)14-17/h3-9,14,24H,10-13,15H2,1-2H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...				J Med Chem 54: 5031-47 (2011) Article DOI: 10.1021/jm200249a BindingDB Entry DOI: 10.7270/Q2XW4K49
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50348038 (CHEMBL1800485) Show SMILES CC1(C)CC(CCNc2cccc(Cl)c2)(CCO1)c1ccccc1 Show InChI InChI=1S/C21H26ClNO/c1-20(2)16-21(12-14-24-20,17-7-4-3-5-8-17)11-13-23-19-10-6-9-18(22)15-19/h3-10,15,23H,11-14,16H2,1-2H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...				J Med Chem 54: 5031-47 (2011) Article DOI: 10.1021/jm200249a BindingDB Entry DOI: 10.7270/Q2XW4K49
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50348054 (CHEMBL1800501) Show SMILES CC1(C)CC(CCNc2cccc(c2)[N+]([O-])=O)(CCO1)c1ccccc1 Show InChI InChI=1S/C21H26N2O3/c1-20(2)16-21(12-14-26-20,17-7-4-3-5-8-17)11-13-22-18-9-6-10-19(15-18)23(24)25/h3-10,15,22H,11-14,16H2,1-2H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...				J Med Chem 54: 5031-47 (2011) Article DOI: 10.1021/jm200249a BindingDB Entry DOI: 10.7270/Q2XW4K49
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50485857 (CHEMBL2170480) Show SMILES C[C@H](O)C(=O)N1CCC(CCn2c(Sc3cc4OCCc4cc3Br)nc3c(N)ncnc23)CC1 |r| Show InChI InChI=1S/C23H27BrN6O3S/c1-13(31)22(32)29-6-2-14(3-7-29)4-8-30-21-19(20(25)26-12-27-21)28-23(30)34-18-11-17-15(5-9-33-17)10-16(18)24/h10-14,31H,2-9H2,1H3,(H2,25,26,27)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis Inc. Curated by ChEMBL					Assay Description Inhibition of human HSP90 in HCT116 cells expressing Her2 gene assessed as degradation of Her2 after 4 hrs by luciferase reporter gene assay				J Med Chem 55: 7480-501 (2012) Article DOI: 10.1021/jm3004619 BindingDB Entry DOI: 10.7270/Q2CC13JM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50485824 (CHEMBL2170448) Show SMILES Nc1ncnc2n(CCc3ccccc3F)c(Sc3cc4OCOc4cc3Br)nc12 Show InChI InChI=1S/C20H15BrFN5O2S/c21-12-7-14-15(29-10-28-14)8-16(12)30-20-26-17-18(23)24-9-25-19(17)27(20)6-5-11-3-1-2-4-13(11)22/h1-4,7-9H,5-6,10H2,(H2,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis Inc. Curated by ChEMBL					Assay Description Inhibition of human HSP90 using BODIPY labelled geldanamycin as substrate by fluorescence polarization assay				J Med Chem 55: 7480-501 (2012) Article DOI: 10.1021/jm3004619 BindingDB Entry DOI: 10.7270/Q2CC13JM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50485823 (bromoderivative) Show SMILES Nc1ncnc2n(CCc3ccccc3Br)c(Sc3cc4OCOc4cc3Br)nc12 Show InChI InChI=1S/C20H15Br2N5O2S/c21-12-4-2-1-3-11(12)5-6-27-19-17(18(23)24-9-25-19)26-20(27)30-16-8-15-14(7-13(16)22)28-10-29-15/h1-4,7-9H,5-6,10H2,(H2,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis Inc. Curated by ChEMBL					Assay Description Inhibition of human HSP90 using BODIPY labelled geldanamycin as substrate by fluorescence polarization assay				J Med Chem 55: 7480-501 (2012) Article DOI: 10.1021/jm3004619 BindingDB Entry DOI: 10.7270/Q2CC13JM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50485861 (chloroderivative) Show SMILES Nc1ncnc2n(CCc3ccccc3Cl)c(Sc3cc4OCOc4cc3Br)nc12 Show InChI InChI=1S/C20H15BrClN5O2S/c21-12-7-14-15(29-10-28-14)8-16(12)30-20-26-17-18(23)24-9-25-19(17)27(20)6-5-11-3-1-2-4-13(11)22/h1-4,7-9H,5-6,10H2,(H2,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis Inc. Curated by ChEMBL					Assay Description Inhibition of human HSP90 using BODIPY labelled geldanamycin as substrate by fluorescence polarization assay				J Med Chem 55: 7480-501 (2012) Article DOI: 10.1021/jm3004619 BindingDB Entry DOI: 10.7270/Q2CC13JM
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50348049 (CHEMBL1800496) Show SMILES COc1c(F)cc(NCCC2(CCOC(C)(C)C2)c2ccccc2)cc1F Show InChI InChI=1S/C22H27F2NO2/c1-21(2)15-22(10-12-27-21,16-7-5-4-6-8-16)9-11-25-17-13-18(23)20(26-3)19(24)14-17/h4-8,13-14,25H,9-12,15H2,1-3H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...				J Med Chem 54: 5031-47 (2011) Article DOI: 10.1021/jm200249a BindingDB Entry DOI: 10.7270/Q2XW4K49
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50348020 (CHEMBL1800417) Show SMILES Cc1cccc(NCCC2(CCOC(C)(C)C2)c2ccccc2)c1 Show InChI InChI=1S/C22H29NO/c1-18-8-7-11-20(16-18)23-14-12-22(19-9-5-4-6-10-19)13-15-24-21(2,3)17-22/h4-11,16,23H,12-15,17H2,1-3H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...				J Med Chem 54: 5031-47 (2011) Article DOI: 10.1021/jm200249a BindingDB Entry DOI: 10.7270/Q2XW4K49
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50348021 (CHEMBL1800418) Show SMILES Cc1ccc(NCCC2(CCOC(C)(C)C2)c2ccccc2)cc1 Show InChI InChI=1S/C22H29NO/c1-18-9-11-20(12-10-18)23-15-13-22(19-7-5-4-6-8-19)14-16-24-21(2,3)17-22/h4-12,23H,13-17H2,1-3H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...				J Med Chem 54: 5031-47 (2011) Article DOI: 10.1021/jm200249a BindingDB Entry DOI: 10.7270/Q2XW4K49
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50485842 (CHEMBL2170463) Show SMILES Cn1nnnc1N1CCC(CCn2c(Sc3cc4OCOc4cc3Br)nc3c(N)ncnc23)CC1 Show InChI InChI=1S/C21H23BrN10O2S/c1-30-20(27-28-29-30)31-5-2-12(3-6-31)4-7-32-19-17(18(23)24-10-25-19)26-21(32)35-16-9-15-14(8-13(16)22)33-11-34-15/h8-10,12H,2-7,11H2,1H3,(H2,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis Inc. Curated by ChEMBL					Assay Description Inhibition of human HSP90 in HCT116 cells expressing Her2 gene assessed as degradation of Her2 after 4 hrs by luciferase reporter gene assay				J Med Chem 55: 7480-501 (2012) Article DOI: 10.1021/jm3004619 BindingDB Entry DOI: 10.7270/Q2CC13JM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50485846 (CHEMBL2170489) Show SMILES CN1CCOc2cc(Sc3nc4c(N)ncnc4n3CCC3CCN(CC3)C=O)c(Br)cc12 Show InChI InChI=1S/C22H26BrN7O2S/c1-28-8-9-32-17-11-18(15(23)10-16(17)28)33-22-27-19-20(24)25-12-26-21(19)30(22)7-4-14-2-5-29(13-31)6-3-14/h10-14H,2-9H2,1H3,(H2,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis Inc. Curated by ChEMBL					Assay Description Inhibition of human HSP90 in HCT116 cells expressing Her2 gene assessed as degradation of Her2 after 4 hrs by luciferase reporter gene assay				J Med Chem 55: 7480-501 (2012) Article DOI: 10.1021/jm3004619 BindingDB Entry DOI: 10.7270/Q2CC13JM
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50348052 (CHEMBL1800499) Show SMILES CC1(C)CC(CCNc2cc(Cl)ccc2F)(CCO1)c1ccccc1 Show InChI InChI=1S/C21H25ClFNO/c1-20(2)15-21(11-13-25-20,16-6-4-3-5-7-16)10-12-24-19-14-17(22)8-9-18(19)23/h3-9,14,24H,10-13,15H2,1-2H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...				J Med Chem 54: 5031-47 (2011) Article DOI: 10.1021/jm200249a BindingDB Entry DOI: 10.7270/Q2XW4K49
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50485857 (CHEMBL2170480) Show SMILES C[C@H](O)C(=O)N1CCC(CCn2c(Sc3cc4OCCc4cc3Br)nc3c(N)ncnc23)CC1 |r| Show InChI InChI=1S/C23H27BrN6O3S/c1-13(31)22(32)29-6-2-14(3-7-29)4-8-30-21-19(20(25)26-12-27-21)28-23(30)34-18-11-17-15(5-9-33-17)10-16(18)24/h10-14,31H,2-9H2,1H3,(H2,25,26,27)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis Inc. Curated by ChEMBL					Assay Description Inhibition of human HSP90 using BODIPY labelled geldanamycin as substrate by fluorescence polarization assay				J Med Chem 55: 7480-501 (2012) Article DOI: 10.1021/jm3004619 BindingDB Entry DOI: 10.7270/Q2CC13JM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50485850 (CHEMBL2170473) Show SMILES CC(=O)C(=O)N1CCC(CCn2c(Sc3cc4OCOc4cc3Br)nc3c(N)ncnc23)CC1 Show InChI InChI=1S/C22H23BrN6O4S/c1-12(30)21(31)28-5-2-13(3-6-28)4-7-29-20-18(19(24)25-10-26-20)27-22(29)34-17-9-16-15(8-14(17)23)32-11-33-16/h8-10,13H,2-7,11H2,1H3,(H2,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis Inc. Curated by ChEMBL					Assay Description Inhibition of human HSP90 in HCT116 cells expressing Her2 gene assessed as degradation of Her2 after 4 hrs by luciferase reporter gene assay				J Med Chem 55: 7480-501 (2012) Article DOI: 10.1021/jm3004619 BindingDB Entry DOI: 10.7270/Q2CC13JM
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50348024 (CHEMBL1800421) Show SMILES CCc1cccc(NCCC2(CCOC(C)(C)C2)c2ccccc2)c1 Show InChI InChI=1S/C23H31NO/c1-4-19-9-8-12-21(17-19)24-15-13-23(20-10-6-5-7-11-20)14-16-25-22(2,3)18-23/h5-12,17,24H,4,13-16,18H2,1-3H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...				J Med Chem 54: 5031-47 (2011) Article DOI: 10.1021/jm200249a BindingDB Entry DOI: 10.7270/Q2XW4K49
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50485833 (CHEMBL2170486) Show SMILES Nc1ncnc2n(CCC3CCN(CC3)C(=O)CO)c(Sc3cc4OCCOc4cc3Br)nc12 Show InChI InChI=1S/C22H25BrN6O4S/c23-14-9-15-16(33-8-7-32-15)10-17(14)34-22-27-19-20(24)25-12-26-21(19)29(22)6-3-13-1-4-28(5-2-13)18(31)11-30/h9-10,12-13,30H,1-8,11H2,(H2,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis Inc. Curated by ChEMBL					Assay Description Inhibition of human HSP90 in HCT116 cells expressing Her2 gene assessed as degradation of Her2 after 4 hrs by luciferase reporter gene assay				J Med Chem 55: 7480-501 (2012) Article DOI: 10.1021/jm3004619 BindingDB Entry DOI: 10.7270/Q2CC13JM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50485848 (CHEMBL2170479) Show SMILES Nc1ncnc2n(CCC3CCN(CC3)C=O)c(Sc3cc4OCCc4cc3Br)nc12 Show InChI InChI=1S/C21H23BrN6O2S/c22-15-9-14-4-8-30-16(14)10-17(15)31-21-26-18-19(23)24-11-25-20(18)28(21)7-3-13-1-5-27(12-29)6-2-13/h9-13H,1-8H2,(H2,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis Inc. Curated by ChEMBL					Assay Description Inhibition of human HSP90 using BODIPY labelled geldanamycin as substrate by fluorescence polarization assay				J Med Chem 55: 7480-501 (2012) Article DOI: 10.1021/jm3004619 BindingDB Entry DOI: 10.7270/Q2CC13JM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50485842 (CHEMBL2170463) Show SMILES Cn1nnnc1N1CCC(CCn2c(Sc3cc4OCOc4cc3Br)nc3c(N)ncnc23)CC1 Show InChI InChI=1S/C21H23BrN10O2S/c1-30-20(27-28-29-30)31-5-2-12(3-6-31)4-7-32-19-17(18(23)24-10-25-19)26-21(32)35-16-9-15-14(8-13(16)22)33-11-34-15/h8-10,12H,2-7,11H2,1H3,(H2,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis Inc. Curated by ChEMBL					Assay Description Inhibition of human HSP90 using BODIPY labelled geldanamycin as substrate by fluorescence polarization assay				J Med Chem 55: 7480-501 (2012) Article DOI: 10.1021/jm3004619 BindingDB Entry DOI: 10.7270/Q2CC13JM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50485835 (CHEMBL2170482) Show SMILES Nc1ncnc2n(CCC3CCN(CC3)C=O)c(Sc3cc4occc4cc3Br)nc12 Show InChI InChI=1S/C21H21BrN6O2S/c22-15-9-14-4-8-30-16(14)10-17(15)31-21-26-18-19(23)24-11-25-20(18)28(21)7-3-13-1-5-27(12-29)6-2-13/h4,8-13H,1-3,5-7H2,(H2,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis Inc. Curated by ChEMBL					Assay Description Inhibition of human HSP90 in HCT116 cells expressing Her2 gene assessed as degradation of Her2 after 4 hrs by luciferase reporter gene assay				J Med Chem 55: 7480-501 (2012) Article DOI: 10.1021/jm3004619 BindingDB Entry DOI: 10.7270/Q2CC13JM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50485865 (CHEMBL2170485) Show SMILES Nc1ncnc2n(CCC3CCN(CC3)C=O)c(Sc3cc4OCCOc4cc3Br)nc12 Show InChI InChI=1S/C21H23BrN6O3S/c22-14-9-15-16(31-8-7-30-15)10-17(14)32-21-26-18-19(23)24-11-25-20(18)28(21)6-3-13-1-4-27(12-29)5-2-13/h9-13H,1-8H2,(H2,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis Inc. Curated by ChEMBL					Assay Description Inhibition of human HSP90 in HCT116 cells expressing Her2 gene assessed as degradation of Her2 after 4 hrs by luciferase reporter gene assay				J Med Chem 55: 7480-501 (2012) Article DOI: 10.1021/jm3004619 BindingDB Entry DOI: 10.7270/Q2CC13JM
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50348043 (CHEMBL1800490) Show SMILES Cc1ccc(NCCC2(CCOC(C)(C)C2)c2ccccc2)cc1Cl Show InChI InChI=1S/C22H28ClNO/c1-17-9-10-19(15-20(17)23)24-13-11-22(18-7-5-4-6-8-18)12-14-25-21(2,3)16-22/h4-10,15,24H,11-14,16H2,1-3H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...				J Med Chem 54: 5031-47 (2011) Article DOI: 10.1021/jm200249a BindingDB Entry DOI: 10.7270/Q2XW4K49
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50485861 (chloroderivative) Show SMILES Nc1ncnc2n(CCc3ccccc3Cl)c(Sc3cc4OCOc4cc3Br)nc12 Show InChI InChI=1S/C20H15BrClN5O2S/c21-12-7-14-15(29-10-28-14)8-16(12)30-20-26-17-18(23)24-9-25-19(17)27(20)6-5-11-3-1-2-4-13(11)22/h1-4,7-9H,5-6,10H2,(H2,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis Inc. Curated by ChEMBL					Assay Description Inhibition of human HSP90 in HCT116 cells expressing Her2 gene assessed as degradation of Her2 after 4 hrs by luciferase reporter gene assay				J Med Chem 55: 7480-501 (2012) Article DOI: 10.1021/jm3004619 BindingDB Entry DOI: 10.7270/Q2CC13JM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50485823 (bromoderivative) Show SMILES Nc1ncnc2n(CCc3ccccc3Br)c(Sc3cc4OCOc4cc3Br)nc12 Show InChI InChI=1S/C20H15Br2N5O2S/c21-12-4-2-1-3-11(12)5-6-27-19-17(18(23)24-9-25-19)26-20(27)30-16-8-15-14(7-13(16)22)28-10-29-15/h1-4,7-9H,5-6,10H2,(H2,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis Inc. Curated by ChEMBL					Assay Description Inhibition of human HSP90 in HCT116 cells expressing Her2 gene assessed as degradation of Her2 after 4 hrs by luciferase reporter gene assay				J Med Chem 55: 7480-501 (2012) Article DOI: 10.1021/jm3004619 BindingDB Entry DOI: 10.7270/Q2CC13JM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50485824 (CHEMBL2170448) Show SMILES Nc1ncnc2n(CCc3ccccc3F)c(Sc3cc4OCOc4cc3Br)nc12 Show InChI InChI=1S/C20H15BrFN5O2S/c21-12-7-14-15(29-10-28-14)8-16(12)30-20-26-17-18(23)24-9-25-19(17)27(20)6-5-11-3-1-2-4-13(11)22/h1-4,7-9H,5-6,10H2,(H2,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis Inc. Curated by ChEMBL					Assay Description Inhibition of human HSP90 in HCT116 cells expressing Her2 gene assessed as degradation of Her2 after 4 hrs by luciferase reporter gene assay				J Med Chem 55: 7480-501 (2012) Article DOI: 10.1021/jm3004619 BindingDB Entry DOI: 10.7270/Q2CC13JM
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50348045 (CHEMBL1800492) Show SMILES CC1(C)CC(CCNc2cccc(F)c2)(CCO1)c1ccccc1 Show InChI InChI=1S/C21H26FNO/c1-20(2)16-21(12-14-24-20,17-7-4-3-5-8-17)11-13-23-19-10-6-9-18(22)15-19/h3-10,15,23H,11-14,16H2,1-2H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...				J Med Chem 54: 5031-47 (2011) Article DOI: 10.1021/jm200249a BindingDB Entry DOI: 10.7270/Q2XW4K49
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50348023 (CHEMBL1800420) Show SMILES Cc1cc(C)cc(NCCC2(CCOC(C)(C)C2)c2ccccc2)c1 Show InChI InChI=1S/C23H31NO/c1-18-14-19(2)16-21(15-18)24-12-10-23(20-8-6-5-7-9-20)11-13-25-22(3,4)17-23/h5-9,14-16,24H,10-13,17H2,1-4H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...				J Med Chem 54: 5031-47 (2011) Article DOI: 10.1021/jm200249a BindingDB Entry DOI: 10.7270/Q2XW4K49
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50485826 (CHEMBL2170452) Show SMILES Nc1ncnc2n(CCC3CCOCC3)c(Sc3cc4OCOc4cc3Br)nc12 Show InChI InChI=1S/C19H20BrN5O3S/c20-12-7-13-14(28-10-27-13)8-15(12)29-19-24-16-17(21)22-9-23-18(16)25(19)4-1-11-2-5-26-6-3-11/h7-9,11H,1-6,10H2,(H2,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis Inc. Curated by ChEMBL					Assay Description Inhibition of human HSP90 using BODIPY labelled geldanamycin as substrate by fluorescence polarization assay				J Med Chem 55: 7480-501 (2012) Article DOI: 10.1021/jm3004619 BindingDB Entry DOI: 10.7270/Q2CC13JM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50485835 (CHEMBL2170482) Show SMILES Nc1ncnc2n(CCC3CCN(CC3)C=O)c(Sc3cc4occc4cc3Br)nc12 Show InChI InChI=1S/C21H21BrN6O2S/c22-15-9-14-4-8-30-16(14)10-17(15)31-21-26-18-19(23)24-11-25-20(18)28(21)7-3-13-1-5-27(12-29)6-2-13/h4,8-13H,1-3,5-7H2,(H2,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis Inc. Curated by ChEMBL					Assay Description Inhibition of human HSP90 using BODIPY labelled geldanamycin as substrate by fluorescence polarization assay				J Med Chem 55: 7480-501 (2012) Article DOI: 10.1021/jm3004619 BindingDB Entry DOI: 10.7270/Q2CC13JM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50485836 (CHEMBL2170478) Show SMILES Nc1ncnc2n(CCC3CCN(CC3)C(=O)[C@@H]3CCCN3)c(Sc3cc4OCOc4cc3Br)nc12 |r| Show InChI InChI=1S/C24H28BrN7O3S/c25-15-10-17-18(35-13-34-17)11-19(15)36-24-30-20-21(26)28-12-29-22(20)32(24)9-5-14-3-7-31(8-4-14)23(33)16-2-1-6-27-16/h10-12,14,16,27H,1-9,13H2,(H2,26,28,29)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis Inc. Curated by ChEMBL					Assay Description Inhibition of human HSP90 using BODIPY labelled geldanamycin as substrate by fluorescence polarization assay				J Med Chem 55: 7480-501 (2012) Article DOI: 10.1021/jm3004619 BindingDB Entry DOI: 10.7270/Q2CC13JM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50485830 (CHEMBL2170491) Show SMILES Nc1ncnc2n(CCC3CCN(CC3)C=O)c(Sc3cc4CCC(=O)c4cc3Br)nc12 Show InChI InChI=1S/C22H23BrN6O2S/c23-16-10-15-14(1-2-17(15)31)9-18(16)32-22-27-19-20(24)25-11-26-21(19)29(22)8-5-13-3-6-28(12-30)7-4-13/h9-13H,1-8H2,(H2,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis Inc. Curated by ChEMBL					Assay Description Inhibition of human HSP90 using BODIPY labelled geldanamycin as substrate by fluorescence polarization assay				J Med Chem 55: 7480-501 (2012) Article DOI: 10.1021/jm3004619 BindingDB Entry DOI: 10.7270/Q2CC13JM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50485830 (CHEMBL2170491) Show SMILES Nc1ncnc2n(CCC3CCN(CC3)C=O)c(Sc3cc4CCC(=O)c4cc3Br)nc12 Show InChI InChI=1S/C22H23BrN6O2S/c23-16-10-15-14(1-2-17(15)31)9-18(16)32-22-27-19-20(24)25-11-26-21(19)29(22)8-5-13-3-6-28(12-30)7-4-13/h9-13H,1-8H2,(H2,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis Inc. Curated by ChEMBL					Assay Description Inhibition of human HSP90 in HCT116 cells expressing Her2 gene assessed as degradation of Her2 after 4 hrs by luciferase reporter gene assay				J Med Chem 55: 7480-501 (2012) Article DOI: 10.1021/jm3004619 BindingDB Entry DOI: 10.7270/Q2CC13JM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50485865 (CHEMBL2170485) Show SMILES Nc1ncnc2n(CCC3CCN(CC3)C=O)c(Sc3cc4OCCOc4cc3Br)nc12 Show InChI InChI=1S/C21H23BrN6O3S/c22-14-9-15-16(31-8-7-30-15)10-17(14)32-21-26-18-19(23)24-11-25-20(18)28(21)6-3-13-1-4-27(12-29)5-2-13/h9-13H,1-8H2,(H2,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis Inc. Curated by ChEMBL					Assay Description Inhibition of human HSP90 using BODIPY labelled geldanamycin as substrate by fluorescence polarization assay				J Med Chem 55: 7480-501 (2012) Article DOI: 10.1021/jm3004619 BindingDB Entry DOI: 10.7270/Q2CC13JM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50485825 (CHEMBL2170470) Show SMILES C[C@H](O)C(=O)N1CCC(CCn2c(Sc3cc4OCOc4cc3Br)nc3c(N)ncnc23)CC1 |r| Show InChI InChI=1S/C22H25BrN6O4S/c1-12(30)21(31)28-5-2-13(3-6-28)4-7-29-20-18(19(24)25-10-26-20)27-22(29)34-17-9-16-15(8-14(17)23)32-11-33-16/h8-10,12-13,30H,2-7,11H2,1H3,(H2,24,25,26)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis Inc. Curated by ChEMBL					Assay Description Inhibition of human HSP90 in HCT116 cells expressing Her2 gene assessed as degradation of Her2 after 4 hrs by luciferase reporter gene assay				J Med Chem 55: 7480-501 (2012) Article DOI: 10.1021/jm3004619 BindingDB Entry DOI: 10.7270/Q2CC13JM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50485851 (CHEMBL2170469) Show SMILES Nc1ncnc2n(CCC3CCN(CC3)C(=O)CO)c(Sc3cc4OCOc4cc3Br)nc12 Show InChI InChI=1S/C21H23BrN6O4S/c22-13-7-14-15(32-11-31-14)8-16(13)33-21-26-18-19(23)24-10-25-20(18)28(21)6-3-12-1-4-27(5-2-12)17(30)9-29/h7-8,10,12,29H,1-6,9,11H2,(H2,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis Inc. Curated by ChEMBL					Assay Description Inhibition of human HSP90 in HCT116 cells expressing Her2 gene assessed as degradation of Her2 after 4 hrs by luciferase reporter gene assay				J Med Chem 55: 7480-501 (2012) Article DOI: 10.1021/jm3004619 BindingDB Entry DOI: 10.7270/Q2CC13JM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50485841 (CHEMBL2170465) Show SMILES CC(=O)N1CCC(CCn2c(Sc3cc4OCOc4cc3Br)nc3c(N)ncnc23)CC1 Show InChI InChI=1S/C21H23BrN6O3S/c1-12(29)27-5-2-13(3-6-27)4-7-28-20-18(19(23)24-10-25-20)26-21(28)32-17-9-16-15(8-14(17)22)30-11-31-16/h8-10,13H,2-7,11H2,1H3,(H2,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis Inc. Curated by ChEMBL					Assay Description Inhibition of human HSP90 using BODIPY labelled geldanamycin as substrate by fluorescence polarization assay				J Med Chem 55: 7480-501 (2012) Article DOI: 10.1021/jm3004619 BindingDB Entry DOI: 10.7270/Q2CC13JM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50485846 (CHEMBL2170489) Show SMILES CN1CCOc2cc(Sc3nc4c(N)ncnc4n3CCC3CCN(CC3)C=O)c(Br)cc12 Show InChI InChI=1S/C22H26BrN7O2S/c1-28-8-9-32-17-11-18(15(23)10-16(17)28)33-22-27-19-20(24)25-12-26-21(19)30(22)7-4-14-2-5-29(13-31)6-3-14/h10-14H,2-9H2,1H3,(H2,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis Inc. Curated by ChEMBL					Assay Description Inhibition of human HSP90 using BODIPY labelled geldanamycin as substrate by fluorescence polarization assay				J Med Chem 55: 7480-501 (2012) Article DOI: 10.1021/jm3004619 BindingDB Entry DOI: 10.7270/Q2CC13JM
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50348037 (CHEMBL1800483) Show SMILES CC1(C)CC(CCNc2cccc(c2)C#N)(CCO1)c1ccccc1 Show InChI InChI=1S/C22H26N2O/c1-21(2)17-22(12-14-25-21,19-8-4-3-5-9-19)11-13-24-20-10-6-7-18(15-20)16-23/h3-10,15,24H,11-14,17H2,1-2H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...				J Med Chem 54: 5031-47 (2011) Article DOI: 10.1021/jm200249a BindingDB Entry DOI: 10.7270/Q2XW4K49
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50485864 (CHEMBL2170475) Show SMILES CC(C)C[C@H](N)C(=O)N1CCC(CCn2c(Sc3cc4OCOc4cc3Br)nc3c(N)ncnc23)CC1 |r| Show InChI InChI=1S/C25H32BrN7O3S/c1-14(2)9-17(27)24(34)32-6-3-15(4-7-32)5-8-33-23-21(22(28)29-12-30-23)31-25(33)37-20-11-19-18(10-16(20)26)35-13-36-19/h10-12,14-15,17H,3-9,13,27H2,1-2H3,(H2,28,29,30)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis Inc. Curated by ChEMBL					Assay Description Inhibition of human HSP90 using BODIPY labelled geldanamycin as substrate by fluorescence polarization assay				J Med Chem 55: 7480-501 (2012) Article DOI: 10.1021/jm3004619 BindingDB Entry DOI: 10.7270/Q2CC13JM
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50348022 (CHEMBL1800419) Show SMILES Cc1ccc(NCCC2(CCOC(C)(C)C2)c2ccccc2)cc1C Show InChI InChI=1S/C23H31NO/c1-18-10-11-21(16-19(18)2)24-14-12-23(20-8-6-5-7-9-20)13-15-25-22(3,4)17-23/h5-11,16,24H,12-15,17H2,1-4H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...				J Med Chem 54: 5031-47 (2011) Article DOI: 10.1021/jm200249a BindingDB Entry DOI: 10.7270/Q2XW4K49
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50485847 (CHEMBL2170488) Show SMILES C[C@@H](O)C(=O)N1CCC(CCn2c(Sc3cc4OCCOc4cc3Br)nc3c(N)ncnc23)CC1 |r| Show InChI InChI=1S/C23H27BrN6O4S/c1-13(31)22(32)29-5-2-14(3-6-29)4-7-30-21-19(20(25)26-12-27-21)28-23(30)35-18-11-17-16(10-15(18)24)33-8-9-34-17/h10-14,31H,2-9H2,1H3,(H2,25,26,27)/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis Inc. Curated by ChEMBL					Assay Description Inhibition of human HSP90 in HCT116 cells expressing Her2 gene assessed as degradation of Her2 after 4 hrs by luciferase reporter gene assay				J Med Chem 55: 7480-501 (2012) Article DOI: 10.1021/jm3004619 BindingDB Entry DOI: 10.7270/Q2CC13JM
					More data for this Ligand-Target Pair

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