Compile Data Set for Download or QSAR

Found 45 hits with Last Name = 'macmillan' and Initial = 'ks'   

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
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50249943 (11-O-(Hydrzinocarbonyl)-17-[2-(dimethylamino)ethyl...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1OC(O)=NN)cc(O)c2N=CCN(C)C |r,w:17.16,14.14,36.37,42.43,t:28| Show InChI InChI=1S/C33H50N6O9/c1-18-14-22-27(36-12-13-39(5)6)24(40)17-23(28(22)41)37-31(42)19(2)10-9-11-25(45-7)29(47-32(34)43)20(3)16-21(4)30(26(15-18)46-8)48-33(44)38-35/h9-12,16-18,21,25-26,29-30,40-41H,13-15,35H2,1-8H3,(H2,34,43)(H,37,42)(H,38,44)/b11-9?,19-10?,20-16+,36-12?/t18-,21+,25+,26+,29+,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Kosan Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant HSP90				J Med Chem 52: 3265-73 (2009) Article DOI: 10.1021/jm900098v BindingDB Entry DOI: 10.7270/Q2V40W5R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50249860 (11-O-methylgeldanamycin | CHEMBL492811) Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1OC)cc(O)c2OC |r,w:17.16,14.14,6.6,t:28| Show InChI InChI=1S/C30H42N2O9/c1-16-12-20-25(34)21(15-22(33)28(20)40-8)32-29(35)17(2)10-9-11-23(37-5)27(41-30(31)36)19(4)14-18(3)26(39-7)24(13-16)38-6/h9-12,14-15,18,23-24,26-27,33-34H,13H2,1-8H3,(H2,31,36)(H,32,35)/b11-9?,16-12?,17-10?,19-14+/t18-,23-,24-,26+,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a
Kosan Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant HSP90				J Med Chem 52: 3265-73 (2009) Article DOI: 10.1021/jm900098v BindingDB Entry DOI: 10.7270/Q2V40W5R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50030868 ((8S,9S,12S,13R,14S,16R)-19-amino-13-hydroxy-8,14-d...) Show SMILES CO[C@H]1CC(C)=Cc2c(N)c(O)cc(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)c2O |r,w:20.19,17.17,6.6,t:31| Show InChI InChI=1S/C28H39N3O8/c1-14-10-18-23(29)20(32)13-19(25(18)34)31-27(35)15(2)8-7-9-21(37-5)26(39-28(30)36)17(4)12-16(3)24(33)22(11-14)38-6/h7-10,12-13,16,21-22,24,26,32-34H,11,29H2,1-6H3,(H2,30,36)(H,31,35)/b9-7?,14-10?,15-8?,17-12+/t16-,21-,22-,24+,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a
Kosan Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant HSP90				J Med Chem 52: 3265-73 (2009) Article DOI: 10.1021/jm900098v BindingDB Entry DOI: 10.7270/Q2V40W5R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50249907 ((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-amino-8,13,14...) Show SMILES CO[C@H]1CC(C)=Cc2c(N)c(O)cc(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1OC)c2O |r,w:20.19,17.17,6.6,t:31| Show InChI InChI=1S/C29H41N3O8/c1-15-11-19-24(30)21(33)14-20(25(19)34)32-28(35)16(2)9-8-10-22(37-5)27(40-29(31)36)18(4)13-17(3)26(39-7)23(12-15)38-6/h8-11,13-14,17,22-23,26-27,33-34H,12,30H2,1-7H3,(H2,31,36)(H,32,35)/b10-8?,15-11?,16-9?,18-13+/t17-,22-,23-,26+,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a
Kosan Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant HSP90				J Med Chem 52: 3265-73 (2009) Article DOI: 10.1021/jm900098v BindingDB Entry DOI: 10.7270/Q2V40W5R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM15359 ((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CC=C |r,w:16.16,38.39,t:28| Show InChI InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-12,15-17,19,24-25,27,29,35-37H,1,13-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9?,18-10?,20-15+,33-12?/t17-,19+,24+,25+,27-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a
Kosan Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant HSP90				J Med Chem 52: 3265-73 (2009) Article DOI: 10.1021/jm900098v BindingDB Entry DOI: 10.7270/Q2V40W5R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50249908 ((8S,9S,12S,13R,14S,16R)-19-(allylamino)-8,13,14-tr...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1OC)cc(O)c2N=CC=C |r,w:17.16,14.14,39.40,t:28| Show InChI InChI=1S/C32H45N3O8/c1-9-13-34-27-22-14-18(2)15-26(41-7)29(42-8)20(4)16-21(5)30(43-32(33)39)25(40-6)12-10-11-19(3)31(38)35-23(28(22)37)17-24(27)36/h9-13,16-18,20,25-26,29-30,36-37H,1,14-15H2,2-8H3,(H2,33,39)(H,35,38)/b12-10?,19-11?,21-16+,34-13?/t18-,20+,25+,26+,29-,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a
Kosan Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant HSP90				J Med Chem 52: 3265-73 (2009) Article DOI: 10.1021/jm900098v BindingDB Entry DOI: 10.7270/Q2V40W5R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50030841 ((8S,9S,12S,13R,14S,16R)-19-(2-fluoroethylamino)-13...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CCF |r,w:17.16,14.14,38.39,t:28| Show InChI InChI=1S/C30H42FN3O8/c1-16-12-20-25(33-11-10-31)22(35)15-21(27(20)37)34-29(38)17(2)8-7-9-23(40-5)28(42-30(32)39)19(4)14-18(3)26(36)24(13-16)41-6/h7-9,11,14-16,18,23-24,26,28,35-37H,10,12-13H2,1-6H3,(H2,32,39)(H,34,38)/b9-7?,17-8?,19-14+,33-11?/t16-,18+,23+,24+,26-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a
Kosan Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant HSP90				J Med Chem 52: 3265-73 (2009) Article DOI: 10.1021/jm900098v BindingDB Entry DOI: 10.7270/Q2V40W5R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50249909 ((8S,9S,12S,13R,14S,16R)-19-(2-fluoroethylamino)-8,...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1OC)cc(O)c2N=CCF |r,w:17.16,14.14,39.40,t:28| Show InChI InChI=1S/C31H44FN3O8/c1-17-13-21-26(34-12-11-32)23(36)16-22(27(21)37)35-30(38)18(2)9-8-10-24(40-5)29(43-31(33)39)20(4)15-19(3)28(42-7)25(14-17)41-6/h8-10,12,15-17,19,24-25,28-29,36-37H,11,13-14H2,1-7H3,(H2,33,39)(H,35,38)/b10-8?,18-9?,20-15+,34-12?/t17-,19+,24+,25+,28-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a
Kosan Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant HSP90				J Med Chem 52: 3265-73 (2009) Article DOI: 10.1021/jm900098v BindingDB Entry DOI: 10.7270/Q2V40W5R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50030864 ((8S,9S,12S,13R,14S,16R)-19-(azetidin-1-yl)-13-hydr...) Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N1CCC1 |r,w:17.16,14.14,6.6,t:28| Show InChI InChI=1S/C31H43N3O8/c1-17-13-21-26(34-11-8-12-34)23(35)16-22(28(21)37)33-30(38)18(2)9-7-10-24(40-5)29(42-31(32)39)20(4)15-19(3)27(36)25(14-17)41-6/h7,9-10,13,15-16,19,24-25,27,29,35-37H,8,11-12,14H2,1-6H3,(H2,32,39)(H,33,38)/b10-7?,17-13?,18-9?,20-15+/t19-,24-,25-,27+,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a
Kosan Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant HSP90				J Med Chem 52: 3265-73 (2009) Article DOI: 10.1021/jm900098v BindingDB Entry DOI: 10.7270/Q2V40W5R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50249910 ((8S,9S,12S,13R,14S,16R)-19-(azetidin-1-yl)-8,13,14...) Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1OC)cc(O)c2N1CCC1 |r,w:17.16,14.14,6.6,t:28| Show InChI InChI=1S/C32H45N3O8/c1-18-14-22-27(35-12-9-13-35)24(36)17-23(28(22)37)34-31(38)19(2)10-8-11-25(40-5)30(43-32(33)39)21(4)16-20(3)29(42-7)26(15-18)41-6/h8,10-11,14,16-17,20,25-26,29-30,36-37H,9,12-13,15H2,1-7H3,(H2,33,39)(H,34,38)/b11-8?,18-14?,19-10?,21-16+/t20-,25-,26-,29+,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a
Kosan Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant HSP90				J Med Chem 52: 3265-73 (2009) Article DOI: 10.1021/jm900098v BindingDB Entry DOI: 10.7270/Q2V40W5R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50249911 (11-O-Allyl-17-(1-azetidinyl)-17-demethoxygeldanamy...) Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1OCC=C)cc(O)c2N1CCC1 |r,w:6.6,17.16,14.14,t:28| Show InChI InChI=1S/C34H47N3O8/c1-8-15-44-31-22(4)18-23(5)32(45-34(35)41)27(42-6)12-9-11-21(3)33(40)36-25-19-26(38)29(37-13-10-14-37)24(30(25)39)16-20(2)17-28(31)43-7/h8-9,11-12,16,18-19,22,27-28,31-32,38-39H,1,10,13-15,17H2,2-7H3,(H2,35,41)(H,36,40)/b12-9?,20-16?,21-11?,23-18+/t22-,27-,28-,31+,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a
Kosan Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant HSP90				J Med Chem 52: 3265-73 (2009) Article DOI: 10.1021/jm900098v BindingDB Entry DOI: 10.7270/Q2V40W5R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50249912 (11-O-Methyl-17-[2-(dimethylamino)ethyl]amino-17-de...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1OC)cc(O)c2N=CCN(C)C |r,w:17.16,14.14,39.40,t:28| Show InChI InChI=1S/C33H50N4O8/c1-19-15-23-28(35-13-14-37(5)6)25(38)18-24(29(23)39)36-32(40)20(2)11-10-12-26(42-7)31(45-33(34)41)22(4)17-21(3)30(44-9)27(16-19)43-8/h10-13,17-19,21,26-27,30-31,38-39H,14-16H2,1-9H3,(H2,34,41)(H,36,40)/b12-10?,20-11?,22-17+,35-13?/t19-,21+,26+,27+,30-,31+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a
Kosan Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant HSP90				J Med Chem 52: 3265-73 (2009) Article DOI: 10.1021/jm900098v BindingDB Entry DOI: 10.7270/Q2V40W5R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50249913 ((8S,9S,12S,13R,14S,16R)-19-(2-(azetidin-1-yl)ethyl...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CCN1CCC1 |r,w:17.16,14.14,38.39,t:28| Show InChI InChI=1S/C33H48N4O8/c1-19-15-23-28(35-11-14-37-12-8-13-37)25(38)18-24(30(23)40)36-32(41)20(2)9-7-10-26(43-5)31(45-33(34)42)22(4)17-21(3)29(39)27(16-19)44-6/h7,9-11,17-19,21,26-27,29,31,38-40H,8,12-16H2,1-6H3,(H2,34,42)(H,36,41)/b10-7?,20-9?,22-17+,35-11?/t19-,21+,26+,27+,29-,31+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a
Kosan Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant HSP90				J Med Chem 52: 3265-73 (2009) Article DOI: 10.1021/jm900098v BindingDB Entry DOI: 10.7270/Q2V40W5R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50249914 ((8S,9S,12S,13R,14S,16R)-19-(2-(azetidin-1-yl)ethyl...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1OC)cc(O)c2N=CCN1CCC1 |r,w:17.16,14.14,39.40,t:28| Show InChI InChI=1S/C34H50N4O8/c1-20-16-24-29(36-12-15-38-13-9-14-38)26(39)19-25(30(24)40)37-33(41)21(2)10-8-11-27(43-5)32(46-34(35)42)23(4)18-22(3)31(45-7)28(17-20)44-6/h8,10-12,18-20,22,27-28,31-32,39-40H,9,13-17H2,1-7H3,(H2,35,42)(H,37,41)/b11-8?,21-10?,23-18+,36-12?/t20-,22+,27+,28+,31-,32+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a
Kosan Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant HSP90				J Med Chem 52: 3265-73 (2009) Article DOI: 10.1021/jm900098v BindingDB Entry DOI: 10.7270/Q2V40W5R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50249915 ((8S,9S,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CCN1CCCC1 |r,w:17.16,14.14,38.39,t:28| Show InChI InChI=1S/C34H50N4O8/c1-20-16-24-29(36-12-15-38-13-7-8-14-38)26(39)19-25(31(24)41)37-33(42)21(2)10-9-11-27(44-5)32(46-34(35)43)23(4)18-22(3)30(40)28(17-20)45-6/h9-12,18-20,22,27-28,30,32,39-41H,7-8,13-17H2,1-6H3,(H2,35,43)(H,37,42)/b11-9?,21-10?,23-18+,36-12?/t20-,22+,27+,28+,30-,32+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a
Kosan Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant HSP90				J Med Chem 52: 3265-73 (2009) Article DOI: 10.1021/jm900098v BindingDB Entry DOI: 10.7270/Q2V40W5R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50249916 ((8S,9S,12S,13R,14S,16R)-8,13,14-trimethoxy-4,10,12...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1OC)cc(O)c2N=CCN1CCCC1 |r,w:17.16,14.14,39.40,t:28| Show InChI InChI=1S/C35H52N4O8/c1-21-17-25-30(37-13-16-39-14-8-9-15-39)27(40)20-26(31(25)41)38-34(42)22(2)11-10-12-28(44-5)33(47-35(36)43)24(4)19-23(3)32(46-7)29(18-21)45-6/h10-13,19-21,23,28-29,32-33,40-41H,8-9,14-18H2,1-7H3,(H2,36,43)(H,38,42)/b12-10?,22-11?,24-19+,37-13?/t21-,23+,28+,29+,32-,33+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a
Kosan Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant HSP90				J Med Chem 52: 3265-73 (2009) Article DOI: 10.1021/jm900098v BindingDB Entry DOI: 10.7270/Q2V40W5R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50249917 ((8S,9S,12S,13R,14S,16R)-19-(2-(1H-imidazol-4-yl)et...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CCc1cnc[nH]1 |r,w:17.16,14.14,38.39,t:28| Show InChI InChI=1S/C33H45N5O8/c1-18-12-23-28(36-11-10-22-16-35-17-37-22)25(39)15-24(30(23)41)38-32(42)19(2)8-7-9-26(44-5)31(46-33(34)43)21(4)14-20(3)29(40)27(13-18)45-6/h7-9,11,14-18,20,26-27,29,31,39-41H,10,12-13H2,1-6H3,(H2,34,43)(H,35,37)(H,38,42)/b9-7?,19-8?,21-14+,36-11?/t18-,20+,26+,27+,29-,31+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a
Kosan Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant HSP90				J Med Chem 52: 3265-73 (2009) Article DOI: 10.1021/jm900098v BindingDB Entry DOI: 10.7270/Q2V40W5R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50249918 ((8S,9S,12S,13R,14S,16R)-19-(2-(1H-imidazol-4-yl)et...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1OC)cc(O)c2N=CCc1cnc[nH]1 |r,w:17.16,14.14,39.40,t:28| Show InChI InChI=1S/C34H47N5O8/c1-19-13-24-29(37-12-11-23-17-36-18-38-23)26(40)16-25(30(24)41)39-33(42)20(2)9-8-10-27(44-5)32(47-34(35)43)22(4)15-21(3)31(46-7)28(14-19)45-6/h8-10,12,15-19,21,27-28,31-32,40-41H,11,13-14H2,1-7H3,(H2,35,43)(H,36,38)(H,39,42)/b10-8?,20-9?,22-15+,37-12?/t19-,21+,27+,28+,31-,32+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a
Kosan Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant HSP90				J Med Chem 52: 3265-73 (2009) Article DOI: 10.1021/jm900098v BindingDB Entry DOI: 10.7270/Q2V40W5R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50249919 ((8S,9S,12S,13R,14S,16R)-9-(carbamoyloxy)-8,14-dime...) Show SMILES CNCC=Nc1c(O)cc2NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@@H](OC(=O)CN)[C@H](C[C@H](C)Cc1c2O)OC |r,w:16.15,13.13,4.4,t:27| Show InChI InChI=1S/C33H49N5O9/c1-18-13-22-28(37-12-11-36-5)24(39)16-23(29(22)41)38-32(42)19(2)9-8-10-25(44-6)30(47-33(35)43)20(3)15-21(4)31(26(14-18)45-7)46-27(40)17-34/h8-10,12,15-16,18,21,25-26,30-31,36,39,41H,11,13-14,17,34H2,1-7H3,(H2,35,43)(H,38,42)/b10-8?,19-9?,20-15+,37-12?/t18-,21+,25+,26+,30+,31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a
Kosan Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant HSP90				J Med Chem 52: 3265-73 (2009) Article DOI: 10.1021/jm900098v BindingDB Entry DOI: 10.7270/Q2V40W5R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50249920 ((8S,9S,12S,13R,14S,16R)-9-(carbamoyloxy)-19-(2-flu...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1OC(=O)CN)cc(O)c2N=CCF |r,w:17.16,14.14,42.43,t:28| Show InChI InChI=1S/C32H45FN4O9/c1-17-12-21-27(36-11-10-33)23(38)15-22(28(21)40)37-31(41)18(2)8-7-9-24(43-5)29(46-32(35)42)19(3)14-20(4)30(25(13-17)44-6)45-26(39)16-34/h7-9,11,14-15,17,20,24-25,29-30,38,40H,10,12-13,16,34H2,1-6H3,(H2,35,42)(H,37,41)/b9-7?,18-8?,19-14+,36-11?/t17-,20+,24+,25+,29+,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a
Kosan Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant HSP90				J Med Chem 52: 3265-73 (2009) Article DOI: 10.1021/jm900098v BindingDB Entry DOI: 10.7270/Q2V40W5R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50249921 ((8S,9S,12S,13R,14S,16R)-19-(allylamino)-9-(carbamo...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1OC(=O)CN)cc(O)c2N=CC=C |r,w:17.16,14.14,42.43,t:28| Show InChI InChI=1S/C33H46N4O9/c1-8-12-36-28-22-13-18(2)14-26(44-7)31(45-27(39)17-34)21(5)15-20(4)30(46-33(35)42)25(43-6)11-9-10-19(3)32(41)37-23(29(22)40)16-24(28)38/h8-12,15-16,18,21,25-26,30-31,38,40H,1,13-14,17,34H2,2-7H3,(H2,35,42)(H,37,41)/b11-9?,19-10?,20-15+,36-12?/t18-,21+,25+,26+,30+,31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a
Kosan Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant HSP90				J Med Chem 52: 3265-73 (2009) Article DOI: 10.1021/jm900098v BindingDB Entry DOI: 10.7270/Q2V40W5R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50249922 ((8S,9S,12S,13R,14S,16R)-9-(carbamoyloxy)-8,14,19-t...) Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1OC(=O)CN)cc(O)c2OC |r,w:17.16,14.14,6.6,t:28| Show InChI InChI=1S/C31H43N3O10/c1-16-11-20-26(37)21(14-22(35)29(20)42-7)34-30(38)17(2)9-8-10-23(40-5)27(44-31(33)39)18(3)13-19(4)28(24(12-16)41-6)43-25(36)15-32/h8-11,13-14,19,23-24,27-28,35,37H,12,15,32H2,1-7H3,(H2,33,39)(H,34,38)/b10-8?,16-11?,17-9?,18-13+/t19-,23-,24-,27-,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a
Kosan Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant HSP90				J Med Chem 52: 3265-73 (2009) Article DOI: 10.1021/jm900098v BindingDB Entry DOI: 10.7270/Q2V40W5R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50249923 ((8S,9S,12S,13R,14S,16R)-19-(allylamino)-9-(carbamo...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1OC(=O)CCN)cc(O)c2N=CC=C |r,w:17.16,14.14,43.44,t:28| Show InChI InChI=1S/C34H48N4O9/c1-8-14-37-29-23-15-19(2)16-27(45-7)32(46-28(40)12-13-35)22(5)17-21(4)31(47-34(36)43)26(44-6)11-9-10-20(3)33(42)38-24(30(23)41)18-25(29)39/h8-11,14,17-19,22,26-27,31-32,39,41H,1,12-13,15-16,35H2,2-7H3,(H2,36,43)(H,38,42)/b11-9?,20-10?,21-17+,37-14?/t19-,22+,26+,27+,31+,32-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a
Kosan Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant HSP90				J Med Chem 52: 3265-73 (2009) Article DOI: 10.1021/jm900098v BindingDB Entry DOI: 10.7270/Q2V40W5R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50249924 ((8S,9S,12S,13R,14S,16R)-9-(carbamoyloxy)-8,14,19-t...) Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1OC(=O)CCN)cc(O)c2OC |r,w:17.16,14.14,6.6,t:28| Show InChI InChI=1S/C32H45N3O10/c1-17-13-21-27(38)22(16-23(36)30(21)43-7)35-31(39)18(2)9-8-10-24(41-5)28(45-32(34)40)19(3)15-20(4)29(25(14-17)42-6)44-26(37)11-12-33/h8-10,13,15-16,20,24-25,28-29,36,38H,11-12,14,33H2,1-7H3,(H2,34,40)(H,35,39)/b10-8?,17-13?,18-9?,19-15+/t20-,24-,25-,28-,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a
Kosan Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant HSP90				J Med Chem 52: 3265-73 (2009) Article DOI: 10.1021/jm900098v BindingDB Entry DOI: 10.7270/Q2V40W5R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50249925 ((8S,9S,12S,13R,14S,16R)-9-(carbamoyloxy)-8,14,19-t...) Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1OC(=O)CCCN)cc(O)c2OC |r,w:17.16,14.14,6.6,t:28| Show InChI InChI=1S/C33H47N3O10/c1-18-14-22-28(39)23(17-24(37)31(22)44-7)36-32(40)19(2)10-8-11-25(42-5)29(46-33(35)41)20(3)16-21(4)30(26(15-18)43-6)45-27(38)12-9-13-34/h8,10-11,14,16-17,21,25-26,29-30,37,39H,9,12-13,15,34H2,1-7H3,(H2,35,41)(H,36,40)/b11-8?,18-14?,19-10?,20-16+/t21-,25-,26-,29-,30+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Kosan Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant HSP90				J Med Chem 52: 3265-73 (2009) Article DOI: 10.1021/jm900098v BindingDB Entry DOI: 10.7270/Q2V40W5R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50249926 ((8S,9S,12S,13R,14S,16R)-13-amino-19-(2-(dimethylam...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1N)cc(O)c2N=CCN(C)C |r,w:17.16,14.14,38.39,t:28| Show InChI InChI=1S/C32H49N5O7/c1-18-14-22-28(35-12-13-37(5)6)24(38)17-23(29(22)39)36-31(40)19(2)10-9-11-25(42-7)30(44-32(34)41)21(4)16-20(3)27(33)26(15-18)43-8/h9-12,16-18,20,25-27,30,38-39H,13-15,33H2,1-8H3,(H2,34,41)(H,36,40)/b11-9?,19-10?,21-16+,35-12?/t18-,20+,25+,26+,27-,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a
Kosan Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant HSP90				J Med Chem 52: 3265-73 (2009) Article DOI: 10.1021/jm900098v BindingDB Entry DOI: 10.7270/Q2V40W5R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50249927 ((8S,9S,12S,13R,14S,16R)-19-(2-(dimethylamino)ethyl...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1NCCF)cc(O)c2N=CCN(C)C |r,w:17.16,14.14,41.42,t:28| Show InChI InChI=1S/C34H52FN5O7/c1-20-16-24-30(38-14-15-40(5)6)26(41)19-25(31(24)42)39-33(43)21(2)10-9-11-27(45-7)32(47-34(36)44)23(4)18-22(3)29(37-13-12-35)28(17-20)46-8/h9-11,14,18-20,22,27-29,32,37,41-42H,12-13,15-17H2,1-8H3,(H2,36,44)(H,39,43)/b11-9?,21-10?,23-18+,38-14?/t20-,22+,27+,28+,29-,32+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a
Kosan Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant HSP90				J Med Chem 52: 3265-73 (2009) Article DOI: 10.1021/jm900098v BindingDB Entry DOI: 10.7270/Q2V40W5R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50249928 ((8S,9S,12S,13R,14S,16R)-13-(2,2-difluoroethylamino...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1NCC(F)F)cc(O)c2N=CCN(C)C |r,w:17.16,14.14,42.43,t:28| Show InChI InChI=1S/C34H51F2N5O7/c1-19-14-23-30(38-12-13-41(5)6)25(42)17-24(31(23)43)40-33(44)20(2)10-9-11-26(46-7)32(48-34(37)45)22(4)16-21(3)29(27(15-19)47-8)39-18-28(35)36/h9-12,16-17,19,21,26-29,32,39,42-43H,13-15,18H2,1-8H3,(H2,37,45)(H,40,44)/b11-9?,20-10?,22-16+,38-12?/t19-,21+,26+,27+,29-,32+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a
Kosan Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant HSP90				J Med Chem 52: 3265-73 (2009) Article DOI: 10.1021/jm900098v BindingDB Entry DOI: 10.7270/Q2V40W5R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50249929 ((8S,9S,12S,13R,14S,16R)-19-(2-(dimethylamino)ethyl...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1NCC(F)(F)F)cc(O)c2N=CCN(C)C |r,w:17.16,14.14,43.44,t:28| Show InChI InChI=1S/C34H50F3N5O7/c1-19-14-23-29(39-12-13-42(5)6)25(43)17-24(30(23)44)41-32(45)20(2)10-9-11-26(47-7)31(49-33(38)46)22(4)16-21(3)28(27(15-19)48-8)40-18-34(35,36)37/h9-12,16-17,19,21,26-28,31,40,43-44H,13-15,18H2,1-8H3,(H2,38,46)(H,41,45)/b11-9?,20-10?,22-16+,39-12?/t19-,21+,26+,27+,28-,31+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a
Kosan Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant HSP90				J Med Chem 52: 3265-73 (2009) Article DOI: 10.1021/jm900098v BindingDB Entry DOI: 10.7270/Q2V40W5R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50249930 ((8S,9S,12S,13R,14S,16R)-19-(2-(dimethylamino)ethyl...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1NCCC(F)(F)F)cc(O)c2N=CCN(C)C |r,w:17.16,14.14,44.45,t:28| Show InChI InChI=1S/C35H52F3N5O7/c1-20-16-24-30(41-14-15-43(5)6)26(44)19-25(31(24)45)42-33(46)21(2)10-9-11-27(48-7)32(50-34(39)47)23(4)18-22(3)29(28(17-20)49-8)40-13-12-35(36,37)38/h9-11,14,18-20,22,27-29,32,40,44-45H,12-13,15-17H2,1-8H3,(H2,39,47)(H,42,46)/b11-9?,21-10?,23-18+,41-14?/t20-,22+,27+,28+,29-,32+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Kosan Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant HSP90				J Med Chem 52: 3265-73 (2009) Article DOI: 10.1021/jm900098v BindingDB Entry DOI: 10.7270/Q2V40W5R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50249931 ((8S,9S,12S,13R,14S,16R)-13,19-bis(2-(dimethylamino...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1NCCN(C)C)cc(O)c2N=CCN(C)C |r,w:17.16,14.14,43.44,t:28| Show InChI InChI=1S/C36H58N6O7/c1-22-18-26-32(39-15-17-42(7)8)28(43)21-27(33(26)44)40-35(45)23(2)12-11-13-29(47-9)34(49-36(37)46)25(4)20-24(3)31(30(19-22)48-10)38-14-16-41(5)6/h11-13,15,20-22,24,29-31,34,38,43-44H,14,16-19H2,1-10H3,(H2,37,46)(H,40,45)/b13-11?,23-12?,25-20+,39-15?/t22-,24+,29+,30+,31-,34+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a
Kosan Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant HSP90				J Med Chem 52: 3265-73 (2009) Article DOI: 10.1021/jm900098v BindingDB Entry DOI: 10.7270/Q2V40W5R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50030907 ((8S,9S,12S,14S,16R)-19-(allylamino)-8,14-dimethoxy...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)C1=O)cc(O)c2N=CC=C |r,w:17.16,14.14,38.39,t:28| Show InChI InChI=1S/C31H41N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-12,15-17,19,24-25,29,35,37H,1,13-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9?,18-10?,20-15+,33-12?/t17-,19+,24+,25+,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a
Kosan Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant HSP90				J Med Chem 52: 3265-73 (2009) Article DOI: 10.1021/jm900098v BindingDB Entry DOI: 10.7270/Q2V40W5R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50249932 ((8S,9S,12S,13E,14S,16R)-19-(allylamino)-13-(hydrox...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)C(C)=C[C@H](C)C1N=O)cc(O)c2N=CC=C |r,w:17.16,14.14,39.40,27.27| Show InChI InChI=1S/C31H42N4O8/c1-8-12-33-27-21-13-17(2)14-25(42-7)26(35-40)19(4)15-20(5)29(43-31(32)39)24(41-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(27)36/h8-12,15-17,19,24-26,29,36-37H,1,13-14H2,2-7H3,(H2,32,39)(H,34,38)/t17-,19+,24+,25+,26?,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Kosan Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant HSP90				J Med Chem 52: 3265-73 (2009) Article DOI: 10.1021/jm900098v BindingDB Entry DOI: 10.7270/Q2V40W5R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50030912 ((8S,9S,12S,14S,16R)-19-(azetidin-1-yl)-8,14-dimeth...) Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)C1=O)cc(O)c2N1CCC1 |r,w:17.16,14.14,6.6,t:28| Show InChI InChI=1S/C31H41N3O8/c1-17-13-21-26(34-11-8-12-34)23(35)16-22(28(21)37)33-30(38)18(2)9-7-10-24(40-5)29(42-31(32)39)20(4)15-19(3)27(36)25(14-17)41-6/h7,9-10,13,15-16,19,24-25,29,35,37H,8,11-12,14H2,1-6H3,(H2,32,39)(H,33,38)/b10-7?,17-13?,18-9?,20-15+/t19-,24-,25-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a
Kosan Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant HSP90				J Med Chem 52: 3265-73 (2009) Article DOI: 10.1021/jm900098v BindingDB Entry DOI: 10.7270/Q2V40W5R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50249933 ((8S,9S,12S,13E,14S,16R)-19-(azetidin-1-yl)-13-(hyd...) Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)C(C)CC(C)=C1N=O)cc(O)c2N1CCC1 |r,w:17.16,14.14,30.30,6.6| Show InChI InChI=1S/C31H42N4O8/c1-17-13-21-27(35-11-8-12-35)23(36)16-22(28(21)37)33-30(38)18(2)9-7-10-24(41-5)29(43-31(32)39)20(4)15-19(3)26(34-40)25(14-17)42-6/h7,9-10,13,16,20,24-25,29,36-37H,8,11-12,14-15H2,1-6H3,(H2,32,39)(H,33,38)/t20?,24-,25-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a
Kosan Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant HSP90				J Med Chem 52: 3265-73 (2009) Article DOI: 10.1021/jm900098v BindingDB Entry DOI: 10.7270/Q2V40W5R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50249934 ((8S,9S,12S,14S,16R)-19-(2-fluoroethylamino)-8,14-d...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)C1=O)cc(O)c2N=CCF |r,w:17.16,14.14,38.39,t:28| Show InChI InChI=1S/C30H40FN3O8/c1-16-12-20-25(33-11-10-31)22(35)15-21(27(20)37)34-29(38)17(2)8-7-9-23(40-5)28(42-30(32)39)19(4)14-18(3)26(36)24(13-16)41-6/h7-9,11,14-16,18,23-24,28,35,37H,10,12-13H2,1-6H3,(H2,32,39)(H,34,38)/b9-7?,17-8?,19-14+,33-11?/t16-,18+,23+,24+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a
Kosan Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant HSP90				J Med Chem 52: 3265-73 (2009) Article DOI: 10.1021/jm900098v BindingDB Entry DOI: 10.7270/Q2V40W5R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50249935 ((8S,9S,12S,13E,14S,16R)-19-(2-fluoroethylamino)-13...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)C(C)=C[C@H](C)C1N=O)cc(O)c2N=CCF |r,w:17.16,14.14,39.40,27.27| Show InChI InChI=1S/C30H41FN4O8/c1-16-12-20-26(33-11-10-31)22(36)15-21(27(20)37)34-29(38)17(2)8-7-9-23(41-5)28(43-30(32)39)19(4)14-18(3)25(35-40)24(13-16)42-6/h7-9,11,14-16,18,23-25,28,36-37H,10,12-13H2,1-6H3,(H2,32,39)(H,34,38)/t16-,18+,23+,24+,25?,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a
Kosan Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant HSP90				J Med Chem 52: 3265-73 (2009) Article DOI: 10.1021/jm900098v BindingDB Entry DOI: 10.7270/Q2V40W5R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50249936 ((8S,9S,12S,14S,16R)-19-(2-(dimethylamino)ethylamin...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)C1=O)cc(O)c2N=CCN(C)C |r,w:17.16,14.14,38.39,t:28| Show InChI InChI=1S/C32H46N4O8/c1-18-14-22-27(34-12-13-36(5)6)24(37)17-23(29(22)39)35-31(40)19(2)10-9-11-25(42-7)30(44-32(33)41)21(4)16-20(3)28(38)26(15-18)43-8/h9-12,16-18,20,25-26,30,37,39H,13-15H2,1-8H3,(H2,33,41)(H,35,40)/b11-9?,19-10?,21-16+,34-12?/t18-,20+,25+,26+,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a
Kosan Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant HSP90				J Med Chem 52: 3265-73 (2009) Article DOI: 10.1021/jm900098v BindingDB Entry DOI: 10.7270/Q2V40W5R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50249937 ((8S,9S,12S,14S,16R)-19-(2-(dimethylamino)ethylamin...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)C(C)=C[C@H](C)C1N=O)cc(O)c2N=CCN(C)C |r,w:17.16,14.14,39.40,27.27| Show InChI InChI=1S/C32H47N5O8/c1-18-14-22-28(34-12-13-37(5)6)24(38)17-23(29(22)39)35-31(40)19(2)10-9-11-25(43-7)30(45-32(33)41)21(4)16-20(3)27(36-42)26(15-18)44-8/h9-12,16-18,20,25-27,30,38-39H,13-15H2,1-8H3,(H2,33,41)(H,35,40)/t18-,20+,25+,26+,27?,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Kosan Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant HSP90				J Med Chem 52: 3265-73 (2009) Article DOI: 10.1021/jm900098v BindingDB Entry DOI: 10.7270/Q2V40W5R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50249938 ((8S,9S,12S,14S,16R)-19-(2-(dimethylamino)ethylamin...) Show SMILES CO\N=C1/[C@@H](C)\C=C(C)\[C@H](OC(N)=O)[C@@H](OC)C=CC=C(C)C(=O)Nc2cc(O)c(N=CCN(C)C)c(C[C@@H](C)C[C@@H]1OC)c2O |r,w:18.18,20.20,30.29,c:6| Show InChI InChI=1S/C33H49N5O8/c1-19-15-23-29(35-13-14-38(5)6)25(39)18-24(30(23)40)36-32(41)20(2)11-10-12-26(43-7)31(46-33(34)42)22(4)17-21(3)28(37-45-9)27(16-19)44-8/h10-13,17-19,21,26-27,31,39-40H,14-16H2,1-9H3,(H2,34,42)(H,36,41)/b12-10?,20-11?,22-17+,35-13?,37-28+/t19-,21+,26+,27+,31+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a
Kosan Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant HSP90				J Med Chem 52: 3265-73 (2009) Article DOI: 10.1021/jm900098v BindingDB Entry DOI: 10.7270/Q2V40W5R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50249939 ((8S,9S,12S,14S,16R)-13-(allyloxyimino)-19-(2-(dime...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)\C1=N/OCC=C)cc(O)c2N=CCN(C)C |r,w:17.16,14.14,42.43,t:28| Show InChI InChI=1S/C35H51N5O8/c1-10-16-47-39-30-23(4)19-24(5)33(48-35(36)44)28(45-8)13-11-12-22(3)34(43)38-26-20-27(41)31(37-14-15-40(6)7)25(32(26)42)17-21(2)18-29(30)46-9/h10-14,19-21,23,28-29,33,41-42H,1,15-18H2,2-9H3,(H2,36,44)(H,38,43)/b13-11?,22-12?,24-19+,37-14?,39-30+/t21-,23+,28+,29+,33+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a
Kosan Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant HSP90				J Med Chem 52: 3265-73 (2009) Article DOI: 10.1021/jm900098v BindingDB Entry DOI: 10.7270/Q2V40W5R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50249940 ((8S,9S,12S,14S,16R)-13-(benzyloxyimino)-19-(2-(dim...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)\C1=N/OCc1ccccc1)cc(O)c2N=CCN(C)C |r,w:17.16,14.14,46.48,t:28| Show InChI InChI=1S/C39H53N5O8/c1-24-19-29-35(41-17-18-44(5)6)31(45)22-30(36(29)46)42-38(47)25(2)13-12-16-32(49-7)37(52-39(40)48)27(4)21-26(3)34(33(20-24)50-8)43-51-23-28-14-10-9-11-15-28/h9-17,21-22,24,26,32-33,37,45-46H,18-20,23H2,1-8H3,(H2,40,48)(H,42,47)/b16-12?,25-13?,27-21+,41-17?,43-34+/t24-,26+,32+,33+,37+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a
Kosan Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant HSP90				J Med Chem 52: 3265-73 (2009) Article DOI: 10.1021/jm900098v BindingDB Entry DOI: 10.7270/Q2V40W5R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50249941 ((8S,9S,12S,14S,16R)-13-(2-(dimethylamino)ethoxyimi...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)\C1=N/OCCN(C)C)cc(O)c2N=CCN(C)C |r,w:17.16,14.14,44.45,t:28| Show InChI InChI=1S/C36H56N6O8/c1-22-18-26-32(38-14-15-41(5)6)28(43)21-27(33(26)44)39-35(45)23(2)12-11-13-29(47-9)34(50-36(37)46)25(4)20-24(3)31(30(19-22)48-10)40-49-17-16-42(7)8/h11-14,20-22,24,29-30,34,43-44H,15-19H2,1-10H3,(H2,37,46)(H,39,45)/b13-11?,23-12?,25-20+,38-14?,40-31+/t22-,24+,29+,30+,34+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a
Kosan Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant HSP90				J Med Chem 52: 3265-73 (2009) Article DOI: 10.1021/jm900098v BindingDB Entry DOI: 10.7270/Q2V40W5R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50249942 (2-(((8S,9S,12S,14S,16R)-9-(carbamoyloxy)-19-(2-(di...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)\C1=N/OCC(O)=O)cc(O)c2N=CCN(C)C |r,w:17.16,14.14,43.44,t:28| Show InChI InChI=1S/C34H49N5O10/c1-19-14-23-30(36-12-13-39(5)6)25(40)17-24(31(23)43)37-33(44)20(2)10-9-11-26(46-7)32(49-34(35)45)22(4)16-21(3)29(27(15-19)47-8)38-48-18-28(41)42/h9-12,16-17,19,21,26-27,32,40,43H,13-15,18H2,1-8H3,(H2,35,45)(H,37,44)(H,41,42)/b11-9?,20-10?,22-16+,36-12?,38-29+/t19-,21+,26+,27+,32+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a
Kosan Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant HSP90				J Med Chem 52: 3265-73 (2009) Article DOI: 10.1021/jm900098v BindingDB Entry DOI: 10.7270/Q2V40W5R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20732 ((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,...) Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2OC |r,w:16.16,6.6,t:28| Show InChI InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-11,13-14,17,22-24,26,32-34H,12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8?,15-11?,16-9?,18-13+/t17-,22-,23-,24+,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a
Kosan Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant HSP90				J Med Chem 52: 3265-73 (2009) Article DOI: 10.1021/jm900098v BindingDB Entry DOI: 10.7270/Q2V40W5R
					More data for this Ligand-Target Pair				3D Structure (crystal)