Compile Data Set for Download or QSAR

Found 236 hits Enz. Inhib. hit(s) with all data for entry = 7962   

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))	BDBM225747 (hsp90_44) Show SMILES Oc1cc(O)c(cc1Cl)-n1c2ccc(CNS(=O)(=O)c3cccnc3)cc2[nH]c1=O |(.22,-8.41,;.7,-6.94,;-.33,-5.8,;.14,-4.33,;-.89,-3.19,;1.65,-4.01,;2.68,-5.16,;2.2,-6.62,;3.23,-7.77,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;7.59,.24,;7.59,1.78,;8.92,2.55,;9.69,1.21,;8.15,3.88,;10.26,3.32,;10.26,4.86,;11.59,5.63,;12.93,4.86,;12.93,3.32,;11.59,2.55,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;-.32,-1.3,)| Show InChI InChI=1S/C19H15ClN4O5S/c20-13-7-16(18(26)8-17(13)25)24-15-4-3-11(6-14(15)23-19(24)27)9-22-30(28,29)12-2-1-5-21-10-12/h1-8,10,22,25-26H,9H2,(H,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	5.22	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225748 (hsp90_45) Show SMILES Oc1cc(O)c(cc1Br)-n1c2ccc(CNS(=O)(=O)c3ccc4ccccc4c3)cc2[nH]c1=O |(9.56,-13.8,;10.03,-12.33,;9,-11.19,;9.48,-9.72,;8.45,-8.58,;10.99,-9.4,;12.02,-10.55,;11.54,-12.01,;12.57,-13.16,;11.46,-7.94,;12.93,-7.46,;14.26,-8.23,;15.59,-7.46,;15.59,-5.92,;16.93,-5.15,;16.93,-3.61,;18.26,-2.84,;19.03,-4.18,;17.49,-1.51,;19.59,-2.07,;19.59,-.53,;20.93,.24,;22.26,-.53,;23.6,.24,;24.93,-.53,;24.93,-2.07,;23.6,-2.84,;22.26,-2.07,;20.93,-2.84,;14.26,-5.15,;12.93,-5.92,;11.46,-5.45,;10.56,-6.69,;9.02,-6.69,)| Show InChI InChI=1S/C24H18BrN3O5S/c25-18-11-21(23(30)12-22(18)29)28-20-8-5-14(9-19(20)27-24(28)31)13-26-34(32,33)17-7-6-15-3-1-2-4-16(15)10-17/h1-12,26,29-30H,13H2,(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225866 (hsp90_161) Show SMILES O=C1c2ccccc2C(=O)c2c1ccc1nonc21 Show InChI InChI=1S/C14H6N2O3/c17-13-7-3-1-2-4-8(7)14(18)11-9(13)5-6-10-12(11)16-19-15-10/h1-6H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	D3R	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225840 (hsp90_131) Show SMILES Cc1ccccc1Nc1cc2C(=O)c3ccccc3C(=O)c2c2nonc12 Show InChI InChI=1S/C21H13N3O3/c1-11-6-2-5-9-15(11)22-16-10-14-17(19-18(16)23-27-24-19)21(26)13-8-4-3-7-12(13)20(14)25/h2-10,22H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225839 (hsp90_130) Show SMILES OC(=O)c1cccc(Nc2cc3C(=O)c4ccccc4C(=O)c3c3nonc23)c1 Show InChI InChI=1S/C21H11N3O5/c25-19-12-6-1-2-7-13(12)20(26)16-14(19)9-15(17-18(16)24-29-23-17)22-11-5-3-4-10(8-11)21(27)28/h1-9,22H,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225838 (hsp90_129) Show SMILES OC(=O)c1ccc(Nc2cc3C(=O)c4ccccc4C(=O)c3c3nonc23)cc1 Show InChI InChI=1S/C21H11N3O5/c25-19-12-3-1-2-4-13(12)20(26)16-14(19)9-15(17-18(16)24-29-23-17)22-11-7-5-10(6-8-11)21(27)28/h1-9,22H,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225745 (hsp90_42) Show SMILES Oc1cc(O)c(cc1Cl)-n1c2ccc(CNS(=O)(=O)c3cccc(Cl)c3Cl)cc2[nH]c1=O |(.22,-8.41,;.7,-6.94,;-.33,-5.8,;.14,-4.33,;-.89,-3.19,;1.65,-4.01,;2.68,-5.16,;2.2,-6.62,;3.23,-7.77,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;7.59,.24,;7.59,1.78,;8.92,2.55,;9.69,1.21,;8.15,3.88,;10.26,3.32,;10.26,4.86,;11.59,5.63,;12.93,4.86,;12.93,3.32,;14.26,2.55,;11.59,2.55,;11.59,1.01,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;-.32,-1.3,)| Show InChI InChI=1S/C20H14Cl3N3O5S/c21-11-2-1-3-18(19(11)23)32(30,31)24-9-10-4-5-14-13(6-10)25-20(29)26(14)15-7-12(22)16(27)8-17(15)28/h1-8,24,27-28H,9H2,(H,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	10.8	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225749 (hsp90_46) Show SMILES Oc1cc(O)c(cc1Br)-n1c2ccc(CNS(=O)(=O)c3cccc4ccccc34)cc2[nH]c1=O |(-8.7,-14.03,;-8.23,-12.57,;-9.26,-11.43,;-8.78,-9.96,;-9.81,-8.82,;-7.28,-9.64,;-6.24,-10.79,;-6.72,-12.25,;-5.69,-13.39,;-6.8,-8.18,;-5.33,-7.7,;-4,-8.47,;-2.67,-7.7,;-2.67,-6.16,;-1.33,-5.39,;-1.33,-3.85,;,-3.08,;.77,-4.41,;-.77,-1.75,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;4,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;;1.33,-.77,;-4,-5.39,;-5.33,-6.16,;-6.8,-5.68,;-7.7,-6.93,;-9.24,-6.93,)| Show InChI InChI=1S/C24H18BrN3O5S/c25-17-11-20(22(30)12-21(17)29)28-19-9-8-14(10-18(19)27-24(28)31)13-26-34(32,33)23-7-3-5-15-4-1-2-6-16(15)23/h1-12,26,29-30H,13H2,(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	11.5	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225738 (hsp90_32) Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1ccc2n(-c3cc(Cl)c(O)cc3O)c(=O)[nH]c2c1 |(14.26,9.77,;12.93,9,;12.93,7.46,;11.59,6.69,;10.26,7.46,;10.26,9,;11.59,9.77,;8.92,6.69,;8.15,8.03,;9.69,5.36,;7.59,5.92,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.65,.13,;2.68,-1.01,;2.2,-2.48,;3.23,-3.62,;.7,-2.8,;.22,-4.26,;-.33,-1.65,;.14,-.19,;-.89,.96,;1.22,2.84,;-.32,2.84,;2.13,4.09,;3.59,3.61,;4.92,4.38,)| Show InChI InChI=1S/C21H18ClN3O5S/c1-12-2-5-14(6-3-12)31(29,30)23-11-13-4-7-17-16(8-13)24-21(28)25(17)18-9-15(22)19(26)10-20(18)27/h2-10,23,26-27H,11H2,1H3,(H,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	12.1	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225875 (hsp90_174) Show SMILES CC(=O)Oc1ccc2c(oc(C)c(Cc3ccccc3)c2=O)c1OC(C)=O Show InChI InChI=1S/C21H18O6/c1-12-17(11-15-7-5-4-6-8-15)19(24)16-9-10-18(26-13(2)22)21(20(16)25-12)27-14(3)23/h4-10H,11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	13.7	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225837 (hsp90_128) Show SMILES Cn1c2c(C(=O)c3ccccc3C2=O)[n+](C)c1CCl Show InChI InChI=1S/C14H12ClN2O2/c1-16-10(7-15)17(2)12-11(16)13(18)8-5-3-4-6-9(8)14(12)19/h3-6H,7H2,1-2H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	15.3	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20800 (2-amino-6-halopurine analogue, 20 | 6-chloro-9-[(4...) Show SMILES COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc23)c1C Show InChI InChI=1S/C14H15ClN6O/c1-7-4-17-9(8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB D3R	n/a	n/a	15.6	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20807 (2-amino-6-halopurine analogue, 29 | 9-[(4-bromo-3,...) Show SMILES Cc1cnc(Cn2cnc3c(Cl)nc(N)nc23)c(C)c1Br Show InChI InChI=1S/C13H12BrClN6/c1-6-3-17-8(7(2)9(6)14)4-21-5-18-10-11(15)19-13(16)20-12(10)21/h3,5H,4H2,1-2H3,(H2,16,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	D3R	n/a	n/a	18.3	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225746 (hsp90_43) Show SMILES Oc1cc(O)c(cc1Cl)-n1c2ccc(CNS(=O)(=O)c3ccccc3O)cc2[nH]c1=O |(.22,-4.26,;.7,-2.8,;2.2,-2.48,;2.68,-1.01,;4.19,-.69,;1.65,.13,;.14,-.19,;-.33,-1.65,;-1.84,-1.97,;2.13,1.6,;3.59,2.07,;4.92,1.3,;6.26,2.07,;6.26,3.61,;7.59,4.38,;7.59,5.92,;8.92,6.69,;8.15,8.03,;9.69,5.36,;10.26,7.46,;11.59,6.69,;12.93,7.46,;12.93,9,;11.59,9.77,;10.26,9,;8.92,9.77,;4.92,4.38,;3.59,3.61,;2.13,4.09,;1.22,2.84,;-.32,2.84,)| Show InChI InChI=1S/C20H16ClN3O6S/c21-12-8-15(18(27)9-17(12)26)24-14-6-5-11(7-13(14)23-20(24)28)10-22-31(29,30)19-4-2-1-3-16(19)25/h1-9,22,25-27H,10H2,(H,23,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50414170 (CHEMBL550275 | hsp90_157) Show SMILES Nc1ccc2cc(NCCc3ccccc3)cc(Nc3ncccn3)c2n1 Show InChI InChI=1S/C21H20N6/c22-19-8-7-16-13-17(23-12-9-15-5-2-1-3-6-15)14-18(20(16)27-19)26-21-24-10-4-11-25-21/h1-8,10-11,13-14,23H,9,12H2,(H2,22,27)(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	D3R	n/a	n/a	19.3	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225733 (hsp90_26) Show SMILES Oc1cc(O)c(cc1-c1ccc(Cl)cc1Cl)-n1c2ccccc2[nH]c1=O |(.22,-8.41,;.7,-6.94,;2.2,-6.62,;2.68,-5.16,;4.19,-4.84,;1.65,-4.01,;.14,-4.33,;-.33,-5.8,;-1.84,-6.12,;-2.31,-7.58,;-3.82,-7.9,;-4.85,-6.76,;-6.36,-7.08,;-4.38,-5.29,;-2.87,-4.97,;-2.39,-3.51,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;-.32,-1.3,)| Show InChI InChI=1S/C19H12Cl2N2O3/c20-10-5-6-11(13(21)7-10)12-8-16(18(25)9-17(12)24)23-15-4-2-1-3-14(15)22-19(23)26/h1-9,24-25H,(H,22,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	20.5	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225796 (hsp90_87) Show SMILES Nc1nc(Cl)c(\C=N\O)c(n1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C11H7Cl3N4O/c12-5-1-2-6(8(13)3-5)9-7(4-16-19)10(14)18-11(15)17-9/h1-4,19H,(H2,15,17,18)/b16-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	D3R	n/a	n/a	22.1	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225794 (hsp90_85) Show SMILES CO\N=C\c1c(Cl)nc(N)nc1-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C12H9Cl3N4O/c1-20-17-5-8-10(18-12(16)19-11(8)15)7-3-2-6(13)4-9(7)14/h2-5H,1H3,(H2,16,18,19)/b17-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	23.4	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225741 (hsp90_36) Show SMILES Oc1cc(O)c(cc1CCc1ccc(Cl)cc1)-n1c2ccccc2[nH]c1=O |(.22,-8.41,;.7,-6.94,;-.33,-5.8,;.14,-4.33,;-.89,-3.19,;1.65,-4.01,;2.68,-5.16,;2.2,-6.62,;3.23,-7.77,;2.76,-9.23,;3.79,-10.38,;5.3,-10.06,;6.33,-11.2,;5.85,-12.66,;6.88,-13.81,;4.34,-12.98,;3.31,-11.84,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;-.32,-1.3,)| Show InChI InChI=1S/C21H17ClN2O3/c22-15-9-6-13(7-10-15)5-8-14-11-18(20(26)12-19(14)25)24-17-4-2-1-3-16(17)23-21(24)27/h1-4,6-7,9-12,25-26H,5,8H2,(H,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	23.6	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225744 (hsp90_40) Show SMILES CCc1cc(c(O)cc1O)-n1c2ccccc2[nH]c1=O |(-2.31,-7.58,;-1.84,-6.12,;-.33,-5.8,;.14,-4.33,;1.65,-4.01,;2.68,-5.16,;4.19,-4.84,;2.2,-6.62,;.7,-6.94,;.22,-8.41,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;-.32,-1.3,)| Show InChI InChI=1S/C15H14N2O3/c1-2-9-7-12(14(19)8-13(9)18)17-11-6-4-3-5-10(11)16-15(17)20/h3-8,18-19H,2H2,1H3,(H,16,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB D3R	n/a	n/a	24.8	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225742 (hsp90_37) Show SMILES Oc1cc(O)c(cc1Cl)-n1c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)cc2[nH]c1=O |(.22,-8.41,;.7,-6.94,;-.33,-5.8,;.14,-4.33,;-.89,-3.19,;1.65,-4.01,;2.68,-5.16,;2.2,-6.62,;3.23,-7.77,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;7.59,.24,;7.59,1.78,;8.92,2.55,;9.69,1.21,;8.15,3.88,;10.26,3.32,;10.26,4.86,;11.59,5.63,;12.93,4.86,;14.26,5.63,;12.93,3.32,;11.59,2.55,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;-.32,-1.3,)| Show InChI InChI=1S/C20H15Cl2N3O5S/c21-12-2-4-13(5-3-12)31(29,30)23-10-11-1-6-16-15(7-11)24-20(28)25(16)17-8-14(22)18(26)9-19(17)27/h1-9,23,26-27H,10H2,(H,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	26.9	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225813 (hsp90_104) Show SMILES Nc1nc(Cl)c(C#N)c(n1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C11H5Cl3N4/c12-5-1-2-6(8(13)3-5)9-7(4-15)10(14)18-11(16)17-9/h1-3H,(H2,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	27.2	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50347494 (CHEMBL1801577 | hsp90_41) Show SMILES Oc1cc(O)c(cc1Cl)-n1c2ccc(CNS(=O)(=O)c3ccccc3)cc2[nH]c1=O |(12.4,-9.97,;11.94,-11.44,;10.43,-11.77,;9.97,-13.24,;8.47,-13.57,;11,-14.36,;12.51,-14.04,;12.98,-12.58,;14.48,-12.25,;10.53,-15.83,;9.07,-16.31,;7.74,-15.55,;6.41,-16.32,;6.41,-17.87,;5.07,-18.63,;3.74,-17.86,;3.73,-16.32,;4.5,-14.98,;5.27,-16.31,;2.41,-15.55,;2.42,-14.01,;1.08,-13.24,;-.25,-14.01,;-.25,-15.56,;1.08,-16.32,;7.74,-18.64,;9.08,-17.86,;10.55,-18.32,;11.45,-17.07,;12.99,-17.06,)| Show InChI InChI=1S/C20H16ClN3O5S/c21-14-9-17(19(26)10-18(14)25)24-16-7-6-12(8-15(16)23-20(24)27)11-22-30(28,29)13-4-2-1-3-5-13/h1-10,22,25-26H,11H2,(H,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	D3R	n/a	n/a	27.4	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225732 (hsp90_25) Show SMILES Oc1cc(O)c(cc1CCc1ccc(F)cc1)-n1c2ccccc2[nH]c1=O |(.22,-8.41,;.7,-6.94,;-.33,-5.8,;.14,-4.33,;-.89,-3.19,;1.65,-4.01,;2.68,-5.16,;2.2,-6.62,;3.23,-7.77,;2.76,-9.23,;3.79,-10.38,;5.3,-10.06,;6.33,-11.2,;5.85,-12.66,;6.88,-13.81,;4.34,-12.98,;3.31,-11.84,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;-.32,-1.3,)| Show InChI InChI=1S/C21H17FN2O3/c22-15-9-6-13(7-10-15)5-8-14-11-18(20(26)12-19(14)25)24-17-4-2-1-3-16(17)23-21(24)27/h1-4,6-7,9-12,25-26H,5,8H2,(H,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	28.8	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225719 (hsp90_12) Show SMILES CCCc1cc(c(O)cc1O)-n1c2ccccc2[nH]c1=O |(-3.82,-7.9,;-2.31,-7.58,;-1.84,-6.12,;-.33,-5.8,;.14,-4.33,;1.65,-4.01,;2.68,-5.16,;4.19,-4.84,;2.2,-6.62,;.7,-6.94,;.22,-8.41,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;-.32,-1.3,)| Show InChI InChI=1S/C16H16N2O3/c1-2-5-10-8-13(15(20)9-14(10)19)18-12-7-4-3-6-11(12)17-16(18)21/h3-4,6-9,19-20H,2,5H2,1H3,(H,17,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB D3R	n/a	n/a	29.2	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50347495 (CHEMBL1801578 | hsp90_39) Show SMILES Oc1cc(O)c(cc1Cl)-n1c2ccc(CNS(=O)(=O)c3cccc4ccccc34)cc2[nH]c1=O |(43.41,-31.6,;42.94,-33.07,;41.43,-33.41,;40.97,-34.87,;39.47,-35.21,;42,-36,;43.51,-35.68,;43.98,-34.21,;45.48,-33.88,;41.54,-37.46,;40.07,-37.95,;38.74,-37.18,;37.41,-37.96,;37.41,-39.5,;36.07,-40.27,;34.74,-39.5,;34.74,-37.96,;35.13,-36.46,;36.22,-38,;33.41,-37.19,;32.08,-37.96,;30.75,-37.19,;30.75,-35.64,;32.08,-34.87,;32.09,-33.35,;33.41,-32.58,;34.74,-33.36,;34.74,-34.89,;33.41,-35.65,;38.74,-40.27,;40.08,-39.49,;41.55,-39.96,;42.45,-38.71,;43.99,-38.7,)| Show InChI InChI=1S/C24H18ClN3O5S/c25-17-11-20(22(30)12-21(17)29)28-19-9-8-14(10-18(19)27-24(28)31)13-26-34(32,33)23-7-3-5-15-4-1-2-6-16(15)23/h1-12,26,29-30H,13H2,(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB D3R	n/a	n/a	30.4	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225788 (hsp90_79) Show SMILES Nc1nc(Cl)cc(n1)-c1cc2ccccc2cc1Cl Show InChI InChI=1S/C14H9Cl2N3/c15-11-6-9-4-2-1-3-8(9)5-10(11)12-7-13(16)19-14(17)18-12/h1-7H,(H2,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	30.8	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225787 (hsp90_78) Show SMILES Nc1nc(Cl)cc(n1)-c1ccc(cc1Cl)N(=O)=O Show InChI InChI=1S/C10H6Cl2N4O2/c11-7-3-5(16(17)18)1-2-6(7)8-4-9(12)15-10(13)14-8/h1-4H,(H2,13,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	D3R	n/a	n/a	39.5	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225721 (hsp90_14) Show SMILES COC(=O)c1ccc2n(-c3cc(Br)c(O)cc3O)c(=O)[nH]c2c1 |(8.92,6.69,;7.59,5.92,;7.59,4.38,;8.92,3.61,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.65,.13,;2.68,-1.01,;2.2,-2.48,;3.23,-3.62,;.7,-2.8,;.22,-4.26,;-.33,-1.65,;.14,-.19,;-.89,.96,;1.22,2.84,;-.32,2.84,;2.13,4.09,;3.59,3.61,;4.92,4.38,)| Show InChI InChI=1S/C15H11BrN2O5/c1-23-14(21)7-2-3-10-9(4-7)17-15(22)18(10)11-5-8(16)12(19)6-13(11)20/h2-6,19-20H,1H3,(H,17,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	40.4	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225752 (hsp90_49) Show SMILES Oc1cc(O)c(cc1Br)-n1c2ccc(CNS(=O)(=O)Cc3ccccc3)cc2[nH]c1=O |(.22,-8.41,;.7,-6.94,;-.33,-5.8,;.14,-4.33,;-.89,-3.19,;1.65,-4.01,;2.68,-5.16,;2.2,-6.62,;3.23,-7.77,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;7.59,.24,;8.92,-.53,;10.26,.24,;11.03,-1.1,;9.49,1.57,;11.59,1.01,;12.93,.24,;14.26,1.01,;15.59,.24,;15.59,-1.3,;14.26,-2.07,;12.93,-1.3,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;-.32,-1.3,)| Show InChI InChI=1S/C21H18BrN3O5S/c22-15-9-18(20(27)10-19(15)26)25-17-7-6-14(8-16(17)24-21(25)28)11-23-31(29,30)12-13-4-2-1-3-5-13/h1-10,23,26-27H,11-12H2,(H,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	43.4	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225715 (hsp90_8) Show SMILES NS(=O)(=O)c1ccc2n(-c3cc(Cl)c(O)cc3O)c(=O)[nH]c2c1 |(8.92,5.15,;7.59,4.38,;6.82,5.72,;8.36,3.05,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.65,.13,;2.68,-1.01,;2.2,-2.48,;3.23,-3.62,;.7,-2.8,;.22,-4.26,;-.33,-1.65,;.14,-.19,;-.89,.96,;1.22,2.84,;-.32,2.84,;2.13,4.09,;3.59,3.61,;4.92,4.38,)| Show InChI InChI=1S/C13H10ClN3O5S/c14-7-4-10(12(19)5-11(7)18)17-9-2-1-6(23(15,21)22)3-8(9)16-13(17)20/h1-5,18-19H,(H,16,20)(H2,15,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	43.8	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225714 (hsp90_7) Show SMILES Oc1cc(O)c(cc1Cl)-n1c2ccc(cc2[nH]c1=O)C#N |(.22,-8.41,;.7,-6.94,;-.33,-5.8,;.14,-4.33,;-.89,-3.19,;1.65,-4.01,;2.68,-5.16,;2.2,-6.62,;3.23,-7.77,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;-.32,-1.3,;7.59,.24,;8.92,1.01,)| Show InChI InChI=1S/C14H8ClN3O3/c15-8-4-11(13(20)5-12(8)19)18-10-2-1-7(6-16)3-9(10)17-14(18)21/h1-5,19-20H,(H,17,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	44.4	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225716 (hsp90_9) Show SMILES Oc1cc(O)c(cc1Cl)-n1c2ccc(cc2[nH]c1=O)N(=O)=O |(.22,-8.41,;.7,-6.94,;-.33,-5.8,;.14,-4.33,;-.89,-3.19,;1.65,-4.01,;2.68,-5.16,;2.2,-6.62,;3.23,-7.77,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;-.32,-1.3,;7.59,.24,;7.59,1.78,;8.92,-.53,)| Show InChI InChI=1S/C13H8ClN3O5/c14-7-4-10(12(19)5-11(7)18)16-9-2-1-6(17(21)22)3-8(9)15-13(16)20/h1-5,18-19H,(H,15,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	D3R	n/a	n/a	46.8	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50347493 (CHEMBL1801576 | hsp90_33) Show SMILES Oc1cc(O)c(cc1Cl)-n1c2ccc(CNC(=O)Nc3ccccc3)cc2[nH]c1=O |(12.44,-30.5,;11.98,-31.97,;10.47,-32.31,;10.01,-33.77,;8.5,-34.11,;11.04,-34.9,;12.55,-34.58,;13.02,-33.11,;14.52,-32.78,;10.57,-36.36,;9.11,-36.85,;7.77,-36.09,;6.44,-36.86,;6.44,-38.4,;5.11,-39.17,;3.78,-38.4,;2.44,-39.17,;1.11,-38.4,;2.44,-40.71,;1.11,-41.48,;-.23,-40.7,;-1.56,-41.47,;-1.56,-43.01,;-.22,-43.78,;1.11,-43.01,;7.78,-39.17,;9.12,-38.39,;10.59,-38.86,;11.49,-37.61,;13.03,-37.6,)| Show InChI InChI=1S/C21H17ClN4O4/c22-14-9-17(19(28)10-18(14)27)26-16-7-6-12(8-15(16)25-21(26)30)11-23-20(29)24-13-4-2-1-3-5-13/h1-10,27-28H,11H2,(H,25,30)(H2,23,24,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	D3R	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225797 (hsp90_88) Show SMILES Nc1nc(Cl)c(\C=N\OCC(O)=O)c(n1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C13H9Cl3N4O3/c14-6-1-2-7(9(15)3-6)11-8(4-18-23-5-10(21)22)12(16)20-13(17)19-11/h1-4H,5H2,(H,21,22)(H2,17,19,20)/b18-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	67.8	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50347505 (CHEMBL1801573 | hsp90_31) Show SMILES Oc1cc(O)c(cc1Cl)-n1c2ccc(CNC(=O)c3ccccc3)cc2[nH]c1=O |(15.02,-4.67,;14.56,-6.13,;13.05,-6.47,;12.59,-7.94,;11.08,-8.27,;13.62,-9.06,;15.13,-8.74,;15.6,-7.27,;17.1,-6.95,;13.15,-10.53,;11.69,-11.01,;10.35,-10.25,;9.03,-11.02,;9.02,-12.56,;7.69,-13.33,;6.36,-12.56,;6.36,-11.02,;7.69,-10.25,;5.02,-10.25,;5.03,-8.71,;3.7,-7.94,;2.37,-8.71,;2.37,-10.26,;3.7,-11.02,;10.36,-13.33,;11.7,-12.56,;13.17,-13.02,;14.07,-11.77,;15.61,-11.76,)| Show InChI InChI=1S/C21H16ClN3O4/c22-14-9-17(19(27)10-18(14)26)25-16-7-6-12(8-15(16)24-21(25)29)11-23-20(28)13-4-2-1-3-5-13/h1-10,26-27H,11H2,(H,23,28)(H,24,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	D3R	n/a	n/a	72.1	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225800 (hsp90_91) Show SMILES CCOC(=O)CO\N=C\c1c(Cl)nc(N)nc1-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C15H13Cl3N4O3/c1-2-24-12(23)7-25-20-6-10-13(21-15(19)22-14(10)18)9-4-3-8(16)5-11(9)17/h3-6H,2,7H2,1H3,(H2,19,21,22)/b20-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	76.7	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225753 (hsp90_50) Show SMILES Oc1ccc(c(O)c1)-n1c2ccc(CNS(=O)(=O)Cc3ccccc3)cc2[nH]c1=O |(.22,-8.41,;.7,-6.94,;-.33,-5.8,;.14,-4.33,;1.65,-4.01,;2.68,-5.16,;4.19,-4.84,;2.2,-6.62,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;7.59,.24,;8.92,-.53,;10.26,.24,;11.03,-1.1,;9.49,1.57,;11.59,1.01,;12.93,.24,;14.26,1.01,;15.59,.24,;15.59,-1.3,;14.26,-2.07,;12.93,-1.3,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;-.32,-1.3,)| Show InChI InChI=1S/C21H19N3O5S/c25-16-7-9-19(20(26)11-16)24-18-8-6-15(10-17(18)23-21(24)27)12-22-30(28,29)13-14-4-2-1-3-5-14/h1-11,22,25-26H,12-13H2,(H,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	83.2	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225815 (hsp90_106) Show SMILES Nc1nc(-c2ccc(Cl)cc2Cl)c2ncnn2n1 Show InChI InChI=1S/C10H6Cl2N6/c11-5-1-2-6(7(12)3-5)8-9-14-4-15-18(9)17-10(13)16-8/h1-4H,(H2,13,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	87.4	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225782 (hsp90_73) Show SMILES Cc1cc(nc(N)n1)-c1ccc(cc1Cl)N(=O)=O Show InChI InChI=1S/C11H9ClN4O2/c1-6-4-10(15-11(13)14-6)8-3-2-7(16(17)18)5-9(8)12/h2-5H,1H3,(H2,13,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	D3R	n/a	n/a	96.1	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225814 (hsp90_105) Show SMILES Nc1nc(-c2ccc(Cl)cc2Cl)c2ccnn2n1 Show InChI InChI=1S/C11H7Cl2N5/c12-6-1-2-7(8(13)5-6)10-9-3-4-15-18(9)17-11(14)16-10/h1-5H,(H2,14,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	123	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225833 (hsp90_123) Show SMILES OC(=O)[C@]12CCCCC1C[C@H](CC2)OC(=O)\C=C\c1ccc(O)c(O)c1 Show InChI InChI=1S/C20H24O6/c21-16-6-4-13(11-17(16)22)5-7-18(23)26-15-8-10-20(19(24)25)9-2-1-3-14(20)12-15/h4-7,11,14-15,21-22H,1-3,8-10,12H2,(H,24,25)/b7-5+/t14?,15-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225785 (hsp90_76) Show SMILES Cc1cc(nc(N)n1)-c1ccc(cc1Cl)C#N Show InChI InChI=1S/C12H9ClN4/c1-7-4-11(17-12(15)16-7)9-3-2-8(6-14)5-10(9)13/h2-5H,1H3,(H2,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	139	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225798 (hsp90_89) Show SMILES CCNC(=O)CO\N=C\c1c(Cl)nc(N)nc1-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C15H14Cl3N5O2/c1-2-20-12(24)7-25-21-6-10-13(22-15(19)23-14(10)18)9-4-3-8(16)5-11(9)17/h3-6H,2,7H2,1H3,(H,20,24)(H2,19,22,23)/b21-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	144	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225712 (hsp90_3) Show SMILES Oc1ccc(c(O)c1)-n1c2ccc(cc2[nH]c1=O)C(F)(F)F |(.22,-8.41,;.7,-6.94,;-.33,-5.8,;.14,-4.33,;1.65,-4.01,;2.68,-5.16,;4.19,-4.84,;2.2,-6.62,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;-.32,-1.3,;7.59,.24,;8.92,1.01,;8.36,-1.1,;6.82,1.57,)| Show InChI InChI=1S/C14H9F3N2O3/c15-14(16,17)7-1-3-10-9(5-7)18-13(22)19(10)11-4-2-8(20)6-12(11)21/h1-6,20-21H,(H,18,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	154	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225725 (hsp90_18) Show SMILES Oc1cc(O)c(cc1CCC1CCCCC1)-n1c2ccccc2[nH]c1=O |(.22,-8.41,;.7,-6.94,;-.33,-5.8,;.14,-4.33,;-.89,-3.19,;1.65,-4.01,;2.68,-5.16,;2.2,-6.62,;3.23,-7.77,;2.76,-9.23,;3.79,-10.38,;5.3,-10.06,;6.33,-11.2,;5.85,-12.66,;4.34,-12.98,;3.31,-11.84,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;-.32,-1.3,)| Show InChI InChI=1S/C21H24N2O3/c24-19-13-20(25)18(12-15(19)11-10-14-6-2-1-3-7-14)23-17-9-5-4-8-16(17)22-21(23)26/h4-5,8-9,12-14,24-25H,1-3,6-7,10-11H2,(H,22,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	164	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225859 (hsp90_151) Show SMILES CCCC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C10H12O4/c1-2-3-7(11)6-4-8(12)10(14)9(13)5-6/h4-5,12-14H,2-3H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	174	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225767 (hsp90_64) Show SMILES Nc1nc(Cl)cc(n1)-c1ccc(cc1)C#N Show InChI InChI=1S/C11H7ClN4/c12-10-5-9(15-11(14)16-10)8-3-1-7(6-13)2-4-8/h1-5H,(H2,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	181	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225810 (hsp90_101) Show SMILES Nc1nc(-c2ccc(Cl)cc2Cl)c2cccn2n1 Show InChI InChI=1S/C12H8Cl2N4/c13-7-3-4-8(9(14)6-7)11-10-2-1-5-18(10)17-12(15)16-11/h1-6H,(H2,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	192	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225728 (hsp90_21) Show SMILES Oc1cc(O)c(cc1-c1ccc(Cl)cc1Cl)-n1c2ccc(cc2[nH]c1=O)C(F)(F)F |(.22,-8.41,;.7,-6.94,;2.2,-6.62,;2.68,-5.16,;4.19,-4.84,;1.65,-4.01,;.14,-4.33,;-.33,-5.8,;-1.84,-6.12,;-2.31,-7.58,;-3.82,-7.9,;-4.85,-6.76,;-6.36,-7.08,;-4.38,-5.29,;-2.87,-4.97,;-2.39,-3.51,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;-.32,-1.3,;7.59,.24,;8.92,1.01,;6.82,1.57,;8.36,-1.1,)| Show InChI InChI=1S/C20H11Cl2F3N2O3/c21-10-2-3-11(13(22)6-10)12-7-16(18(29)8-17(12)28)27-15-4-1-9(20(23,24)25)5-14(15)26-19(27)30/h1-8,28-29H,(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	193	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 236 total )  |  Next  |  Last  >>

Jump to: