Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with Target = 'Heat-shock protein 90 (Hsp90)'   

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
Putative heat shock protein HSP 90-alpha A4 (Homo sapiens (Human))	BDBM152737 (17-(3-trifluoromethylphenylamino)-17-demethoxygeld...) Show SMILES CO[C@H]1C[C@H](C)CC2=C(NCCc3cccc(c3)C(F)(F)F)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,33,t:25,31,44| Show InChI InChI=1S/C19H11ClN2O2/c20-13-4-1-11(2-5-13)18-15-7-8-21-10-16(15)14-6-3-12(19(23)24)9-17(14)22-18/h1-10H,(H,23,24)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.29E+3	n/a	n/a	n/a	n/a	7.3	n/a
Shandong University					Assay Description Briefly, reaction mixes (100 µL) containing 20 mM HEPES (pH 7.3), 50 mM KCl, 2 mM DTT, 5 mM MgCl2, 20 mM Na2MoO4, 0.01% Triton X-100 with 0.1 mg/mL B...				Chem Biol Drug Des 85: 181-8 (2015) Article DOI: 10.1111/cbdd.12371 BindingDB Entry DOI: 10.7270/Q22B8WRB
					More data for this Ligand-Target Pair
Putative heat shock protein HSP 90-alpha A4 (Homo sapiens (Human))	BDBM50008057 (BMS-722782 | CHEBI:64153 | TANESPIMYCIN) Show SMILES CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,23,t:15,21,34| 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/h8-11,15-17,19,24-25,27,29,33,36H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	7.3	n/a
Shandong University					Assay Description Briefly, reaction mixes (100 µL) containing 20 mM HEPES (pH 7.3), 50 mM KCl, 2 mM DTT, 5 mM MgCl2, 20 mM Na2MoO4, 0.01% Triton X-100 with 0.1 mg/mL B...				Chem Biol Drug Des 85: 181-8 (2015) Article DOI: 10.1111/cbdd.12371 BindingDB Entry DOI: 10.7270/Q22B8WRB
					More data for this Ligand-Target Pair
Putative heat shock protein HSP 90-alpha A4 (Homo sapiens (Human))	BDBM50008059 (CHEBI:5292 | GELDANAMYCIN) Show SMILES CO[C@H]1C[C@H](C)CC2=C(OC)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,21,t:13,19,32| 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/h8-10,13-15,17,22-24,26,33H,11-12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8-,16-9+,18-13+/t15-,17+,22+,23+,24-,26+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	7.3	n/a
Shandong University					Assay Description Briefly, reaction mixes (100 µL) containing 20 mM HEPES (pH 7.3), 50 mM KCl, 2 mM DTT, 5 mM MgCl2, 20 mM Na2MoO4, 0.01% Triton X-100 with 0.1 mg/mL B...				Chem Biol Drug Des 85: 181-8 (2015) Article DOI: 10.1111/cbdd.12371 BindingDB Entry DOI: 10.7270/Q22B8WRB
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha [1-236] (Homo sapiens (Human))	BDBM227593 (PS8) Show SMILES Oc1ccc2CN(Cc2c1)S(=O)(=O)c1ccc(O)cc1O Show InChI InChI=1S/C14H13NO5S/c16-11-2-1-9-7-15(8-10(9)5-11)21(19,20)14-4-3-12(17)6-13(14)18/h1-6,16-18H,7-8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	6.01E+4	n/a	n/a	n/a	7.5	15
University of Texas Southwestern Medical Center					Assay Description The PDK2 or Hsp90 N-terminal domain protein was dialyzed against 1 liter of thedialysis buffer containing 50 mM Tris-Cl, pH 7.5, 50 mM KCl, 1 mM MgCl...				J Biol Chem 289: 4432-43 (2014) Article DOI: 10.1074/jbc.M113.533885 BindingDB Entry DOI: 10.7270/Q2N58K7F
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha [1-236] (Homo sapiens (Human))	BDBM227594 (PS10) Show SMILES Oc1ccc(c(O)c1)S(=O)(=O)N1Cc2cc(O)cc(O)c2C1 Show InChI InChI=1S/C14H13NO6S/c16-9-1-2-14(13(19)4-9)22(20,21)15-6-8-3-10(17)5-12(18)11(8)7-15/h1-5,16-19H,6-7H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	4.70E+4	n/a	n/a	n/a	7.5	15
University of Texas Southwestern Medical Center					Assay Description The PDK2 or Hsp90 N-terminal domain protein was dialyzed against 1 liter of thedialysis buffer containing 50 mM Tris-Cl, pH 7.5, 50 mM KCl, 1 mM MgCl...				J Biol Chem 289: 4432-43 (2014) Article DOI: 10.1074/jbc.M113.533885 BindingDB Entry DOI: 10.7270/Q2N58K7F
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha [1-236] (Homo sapiens (Human))	BDBM227592 (PS2) Show SMILES Oc1ccc(c(O)c1)S(=O)(=O)N1Cc2ccccc2C1 Show InChI InChI=1S/C14H13NO4S/c16-12-5-6-14(13(17)7-12)20(18,19)15-8-10-3-1-2-4-11(10)9-15/h1-7,16-17H,8-9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	5.09E+4	n/a	n/a	n/a	7.5	15
University of Texas Southwestern Medical Center					Assay Description The PDK2 or Hsp90 N-terminal domain protein was dialyzed against 1 liter of thedialysis buffer containing 50 mM Tris-Cl, pH 7.5, 50 mM KCl, 1 mM MgCl...				J Biol Chem 289: 4432-43 (2014) Article DOI: 10.1074/jbc.M113.533885 BindingDB Entry DOI: 10.7270/Q2N58K7F
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha [1-236] (Homo sapiens (Human))	BDBM227591 (PA7) Show SMILES Oc1ccc(C(=O)N2Cc3ccccc3C2)c(O)c1 Show InChI InChI=1S/C15H13NO3/c17-12-5-6-13(14(18)7-12)15(19)16-8-10-3-1-2-4-11(10)9-16/h1-7,17-18H,8-9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	27.3	n/a	n/a	n/a	7.5	15
University of Texas Southwestern Medical Center					Assay Description The PDK2 or Hsp90 N-terminal domain protein was dialyzed against 1 liter of thedialysis buffer containing 50 mM Tris-Cl, pH 7.5, 50 mM KCl, 1 mM MgCl...				J Biol Chem 289: 4432-43 (2014) Article DOI: 10.1074/jbc.M113.533885 BindingDB Entry DOI: 10.7270/Q2N58K7F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-alpha [1-236] (Homo sapiens (Human))	BDBM227590 (PA1) Show SMILES Oc1cc(O)c(cc1Br)C(=O)N1Cc2ccccc2C1 Show InChI InChI=1S/C15H12BrNO3/c16-12-5-11(13(18)6-14(12)19)15(20)17-7-9-3-1-2-4-10(9)8-17/h1-6,18-19H,7-8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	6	n/a	n/a	n/a	7.5	15
University of Texas Southwestern Medical Center					Assay Description The PDK2 or Hsp90 N-terminal domain protein was dialyzed against 1 liter of thedialysis buffer containing 50 mM Tris-Cl, pH 7.5, 50 mM KCl, 1 mM MgCl...				J Biol Chem 289: 4432-43 (2014) Article DOI: 10.1074/jbc.M113.533885 BindingDB Entry DOI: 10.7270/Q2N58K7F
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha [1-236] (Homo sapiens (Human))	BDBM81912 (DC23 | Resorcinol analog, 1) Show SMILES Oc1ccc(-c2n[nH]c(=S)n2-c2cccc3ccccc23)c(O)c1 |(.68,.63,;2.01,1.4,;2.01,2.94,;3.35,3.71,;4.68,2.94,;5.88,3.91,;7.36,3.51,;8.2,4.8,;7.23,6,;7.63,7.48,;5.8,5.45,;4.46,6.22,;3.13,5.44,;1.79,6.21,;1.79,7.76,;3.13,8.53,;3.13,10.06,;4.46,10.84,;5.8,10.07,;5.8,8.52,;4.46,7.76,;4.68,1.4,;6.01,.63,;3.35,.63,)| Show InChI InChI=1S/C18H13N3O2S/c22-12-8-9-14(16(23)10-12)17-19-20-18(24)21(17)15-7-3-5-11-4-1-2-6-13(11)15/h1-10,22-23H,(H,20,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	25	n/a	n/a	n/a	7.5	15
University of Texas Southwestern Medical Center					Assay Description The PDK2 or Hsp90 N-terminal domain protein was dialyzed against 1 liter of thedialysis buffer containing 50 mM Tris-Cl, pH 7.5, 50 mM KCl, 1 mM MgCl...				J Biol Chem 289: 4432-43 (2014) Article DOI: 10.1074/jbc.M113.533885 BindingDB Entry DOI: 10.7270/Q2N58K7F
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha [1-236] (Homo sapiens (Human))	BDBM227589 (Radicicol) Show SMILES C[C@@H]1C[C@H]2O[C@@H]2\C=C/C=C/C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |r,c:7,t:9| Show InChI InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/b4-2+,5-3-/t9-,14-,15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	46.3	n/a	n/a	n/a	7.5	15
University of Texas Southwestern Medical Center					Assay Description The PDK2 or Hsp90 N-terminal domain protein was dialyzed against 1 liter of thedialysis buffer containing 50 mM Tris-Cl, pH 7.5, 50 mM KCl, 1 mM MgCl...				J Biol Chem 289: 4432-43 (2014) Article DOI: 10.1074/jbc.M113.533885 BindingDB Entry DOI: 10.7270/Q2N58K7F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Putative heat shock protein HSP 90-alpha A4 (Homo sapiens (Human))	BDBM166677 (4-(7-Oxo-4,5,6,7-tetrahydrobenzo[d]isoxazol-3-yl)-...) Show SMILES NC(=O)c1ccc(cc1)-c1noc2c1CCCC2=O Show InChI InChI=1S/C14H12N2O3/c15-14(18)9-6-4-8(5-7-9)12-10-2-1-3-11(17)13(10)19-16-12/h4-7H,1-3H2,(H2,15,18)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Milano					Assay Description The fluorescence polarization (FP) assay was performed as described in the reference (Bioorg Med Chem. 2010. 18:6031-6043).				Chem Biol Drug Des 86: 1030-5 (2015) Article DOI: 10.1111/cbdd.12570 BindingDB Entry DOI: 10.7270/Q22806CD
					More data for this Ligand-Target Pair
Putative heat shock protein HSP 90-alpha A4 (Homo sapiens (Human))	BDBM166678 (4-(7-Hydroxyimino-4,5,6,7-tetrahydro-benzo[d]isoxa...) Show SMILES NC(=O)c1ccc(cc1)-c1noc2c1CCCC2=NO |w:18.21| Show InChI InChI=1S/C14H13N3O3/c15-14(18)9-6-4-8(5-7-9)12-10-2-1-3-11(16-19)13(10)20-17-12/h4-7,19H,1-3H2,(H2,15,18)/b16-11-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Milano					Assay Description The fluorescence polarization (FP) assay was performed as described in the reference (Bioorg Med Chem. 2010. 18:6031-6043).				Chem Biol Drug Des 86: 1030-5 (2015) Article DOI: 10.1111/cbdd.12570 BindingDB Entry DOI: 10.7270/Q22806CD
					More data for this Ligand-Target Pair
Putative heat shock protein HSP 90-alpha A4 (Homo sapiens (Human))	BDBM166679 (4-(7-(2-Morpholin-4-yl-ethoxyimino)-4,5,6,7-tetrah...) Show SMILES NC(=O)c1ccc(cc1)-c1noc2c1CCCC2=NOCCN1CCOCC1 |w:18.21| Show InChI InChI=1S/C20H24N4O4/c21-20(25)15-6-4-14(5-7-15)18-16-2-1-3-17(19(16)28-23-18)22-27-13-10-24-8-11-26-12-9-24/h4-7H,1-3,8-13H2,(H2,21,25)/b22-17-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Milano					Assay Description The fluorescence polarization (FP) assay was performed as described in the reference (Bioorg Med Chem. 2010. 18:6031-6043).				Chem Biol Drug Des 86: 1030-5 (2015) Article DOI: 10.1111/cbdd.12570 BindingDB Entry DOI: 10.7270/Q22806CD
					More data for this Ligand-Target Pair
Putative heat shock protein HSP 90-alpha A4 (Homo sapiens (Human))	BDBM166680 (4-(7-(2-Aminoethoxyimino)-4,5,6,7-tetrahydrobenzo[...) Show SMILES NCCON=C1CCCc2c(noc12)-c1ccc(cc1)C(N)=O |w:4.3| Show InChI InChI=1S/C16H18N4O3/c17-8-9-22-19-13-3-1-2-12-14(20-23-15(12)13)10-4-6-11(7-5-10)16(18)21/h4-7H,1-3,8-9,17H2,(H2,18,21)/b19-13-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Milano					Assay Description The fluorescence polarization (FP) assay was performed as described in the reference (Bioorg Med Chem. 2010. 18:6031-6043).				Chem Biol Drug Des 86: 1030-5 (2015) Article DOI: 10.1111/cbdd.12570 BindingDB Entry DOI: 10.7270/Q22806CD
					More data for this Ligand-Target Pair
Putative heat shock protein HSP 90-alpha A4 (Homo sapiens (Human))	BDBM166681 (4-(7-Hydroxy-4,5,6,7-tetrahydro-benzo[d]isoxazol-3...) Show SMILES NC(=O)c1ccc(cc1)-c1noc2C(O)CCCc12 Show InChI InChI=1S/C14H14N2O3/c15-14(18)9-6-4-8(5-7-9)12-10-2-1-3-11(17)13(10)19-16-12/h4-7,11,17H,1-3H2,(H2,15,18)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Milano					Assay Description The fluorescence polarization (FP) assay was performed as described in the reference (Bioorg Med Chem. 2010. 18:6031-6043).				Chem Biol Drug Des 86: 1030-5 (2015) Article DOI: 10.1111/cbdd.12570 BindingDB Entry DOI: 10.7270/Q22806CD
					More data for this Ligand-Target Pair
Putative heat shock protein HSP 90-alpha A4 (Homo sapiens (Human))	BDBM166670 (17-AAG) Show SMILES CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C=C\[C@H](C)C1)C2=O |r,c:7,23,t:15,21,33| Show InChI InChI=1S/C30H41N3O7/c1-7-13-32-27-22-16-19(3)15-21(38-5)14-18(2)11-12-26(40-30(31)37)25(39-6)10-8-9-20(4)29(36)33-23(28(22)35)17-24(27)34/h7-12,17-19,21,25-26,32H,1,13-16H2,2-6H3,(H2,31,37)(H,33,36)/b10-8-,12-11+,20-9+/t18-,19-,21+,25-,26-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Milano					Assay Description The fluorescence polarization (FP) assay was performed as described in the reference (Bioorg Med Chem. 2010. 18:6031-6043).				Chem Biol Drug Des 86: 1030-5 (2015) Article DOI: 10.1111/cbdd.12570 BindingDB Entry DOI: 10.7270/Q22806CD
					More data for this Ligand-Target Pair
Putative heat shock protein HSP 90-alpha A4 (Homo sapiens (Human))	BDBM166675 (3-(5-chloro-2,4-dihydroxyphenyl)-5,6-dihydro-4H-be...) Show SMILES ON=C1CCCc2c(noc12)-c1cc(Cl)c(O)cc1O |w:1.0| Show InChI InChI=1S/C13H11ClN2O4/c14-8-4-7(10(17)5-11(8)18)12-6-2-1-3-9(15-19)13(6)20-16-12/h4-5,17-19H,1-3H2/b15-9-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
University of Milano					Assay Description The fluorescence polarization (FP) assay was performed as described in the reference (Bioorg Med Chem. 2010. 18:6031-6043).				Chem Biol Drug Des 86: 1030-5 (2015) Article DOI: 10.1111/cbdd.12570 BindingDB Entry DOI: 10.7270/Q22806CD
					More data for this Ligand-Target Pair
Putative heat shock protein HSP 90-alpha A4 (Homo sapiens (Human))	BDBM166674 (3-(5-chloro-2,4-dihydroxyphenyl)-4,5,6,7-tetrahydr...) Show SMILES OC1CCCc2c1onc2-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C13H12ClNO4/c14-8-4-7(10(17)5-11(8)18)12-6-2-1-3-9(16)13(6)19-15-12/h4-5,9,16-18H,1-3H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Milano					Assay Description The fluorescence polarization (FP) assay was performed as described in the reference (Bioorg Med Chem. 2010. 18:6031-6043).				Chem Biol Drug Des 86: 1030-5 (2015) Article DOI: 10.1111/cbdd.12570 BindingDB Entry DOI: 10.7270/Q22806CD
					More data for this Ligand-Target Pair
Putative heat shock protein HSP 90-alpha A4 (Homo sapiens (Human))	BDBM166673 (3-(5-chloro-2,4-dihydroxyphenyl)-5,6-dihydrobenzo[...) Show SMILES Oc1cc(O)c(cc1Cl)-c1noc2c1CCCC2=O Show InChI InChI=1S/C13H10ClNO4/c14-8-4-7(10(17)5-11(8)18)12-6-2-1-3-9(16)13(6)19-15-12/h4-5,17-18H,1-3H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Milano					Assay Description The fluorescence polarization (FP) assay was performed as described in the reference (Bioorg Med Chem. 2010. 18:6031-6043).				Chem Biol Drug Des 86: 1030-5 (2015) Article DOI: 10.1111/cbdd.12570 BindingDB Entry DOI: 10.7270/Q22806CD
					More data for this Ligand-Target Pair
Putative heat shock protein HSP 90-alpha A4 (Homo sapiens (Human))	BDBM166672 (3-(5-chloro-2,4-dihydroxyphenyl)-5,6-dihydroisoxaz...) Show SMILES Oc1cc(O)c(cc1Cl)-c1noc2c1CCNC2=O Show InChI InChI=1S/C12H9ClN2O4/c13-7-3-6(8(16)4-9(7)17)10-5-1-2-14-12(18)11(5)19-15-10/h3-4,16-17H,1-2H2,(H,14,18)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Milano					Assay Description The fluorescence polarization (FP) assay was performed as described in the reference (Bioorg Med Chem. 2010. 18:6031-6043).				Chem Biol Drug Des 86: 1030-5 (2015) Article DOI: 10.1111/cbdd.12570 BindingDB Entry DOI: 10.7270/Q22806CD
					More data for this Ligand-Target Pair
Putative heat shock protein HSP 90-alpha A4 (Homo sapiens (Human))	BDBM166671 (3-(5-chloro-2,4-dihydroxyphenyl)-5,6-dihydro-6-met...) Show SMILES CN1CCc2c(noc2C1=O)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C13H11ClN2O4/c1-16-3-2-6-11(15-20-12(6)13(16)19)7-4-8(14)10(18)5-9(7)17/h4-5,17-18H,2-3H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Milano					Assay Description The fluorescence polarization (FP) assay was performed as described in the reference (Bioorg Med Chem. 2010. 18:6031-6043).				Chem Biol Drug Des 86: 1030-5 (2015) Article DOI: 10.1111/cbdd.12570 BindingDB Entry DOI: 10.7270/Q22806CD
					More data for this Ligand-Target Pair
Putative heat shock protein HSP 90-alpha A4 (Homo sapiens (Human))	BDBM166676 (3-(5-chloro-2,4-dihydroxyphenyl)-5,6-dihydro-4H-be...) Show SMILES NCCON=C1CCCc2c(noc12)-c1cc(Cl)c(O)cc1O |w:4.3| Show InChI InChI=1S/C15H16ClN3O4/c16-10-6-9(12(20)7-13(10)21)14-8-2-1-3-11(15(8)23-19-14)18-22-5-4-17/h6-7,20-21H,1-5,17H2/b18-11-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Milano					Assay Description The fluorescence polarization (FP) assay was performed as described in the reference (Bioorg Med Chem. 2010. 18:6031-6043).				Chem Biol Drug Des 86: 1030-5 (2015) Article DOI: 10.1111/cbdd.12570 BindingDB Entry DOI: 10.7270/Q22806CD
					More data for this Ligand-Target Pair