Compile Data Set for Download or QSAR

Found 40 hits with Last Name = 'saitoh' and Initial = 'r'   

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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50338038 (3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-N-(2-h...) Show SMILES OCCONC(=O)c1cc(CN2OCCCC2=O)c(F)c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C20H19F3IN3O5/c21-14-9-12(24)3-4-15(14)25-19-13(20(30)26-31-7-5-28)8-11(17(22)18(19)23)10-27-16(29)2-1-6-32-27/h3-4,8-9,25,28H,1-2,5-7,10H2,(H,26,30)	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	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 21: 1795-801 (2011) Article DOI: 10.1016/j.bmcl.2011.01.062 BindingDB Entry DOI: 10.7270/Q2R49R27
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM104963 (CHEMBL507361 | US11147816, PD0325901 | US11701360,...) Show SMILES OC[C@@H](O)CONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F |r| Show InChI InChI=1S/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to MEK1 by surface plasmon resonance in absence of ATP				Bioorg Med Chem Lett 21: 1795-801 (2011) Article DOI: 10.1016/j.bmcl.2011.01.062 BindingDB Entry DOI: 10.7270/Q2R49R27
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50338038 (3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-N-(2-h...) Show SMILES OCCONC(=O)c1cc(CN2OCCCC2=O)c(F)c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C20H19F3IN3O5/c21-14-9-12(24)3-4-15(14)25-19-13(20(30)26-31-7-5-28)8-11(17(22)18(19)23)10-27-16(29)2-1-6-32-27/h3-4,8-9,25,28H,1-2,5-7,10H2,(H,26,30)	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	MMDB PDB Article PubMed	n/a	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to MEK1 by surface plasmon resonance in presence of ATP				Bioorg Med Chem Lett 21: 1795-801 (2011) Article DOI: 10.1016/j.bmcl.2011.01.062 BindingDB Entry DOI: 10.7270/Q2R49R27
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM104963 (CHEMBL507361 | US11147816, PD0325901 | US11701360,...) Show SMILES OC[C@@H](O)CONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F |r| Show InChI InChI=1S/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to MEK1 by surface plasmon resonance in presence of ATP				Bioorg Med Chem Lett 21: 1795-801 (2011) Article DOI: 10.1016/j.bmcl.2011.01.062 BindingDB Entry DOI: 10.7270/Q2R49R27
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50362219 (CHEMBL1939369) Show SMILES CSc1nc(N)nc(n1)-c1ccc2COCc3cc(Cl)cc1c23 Show InChI InChI=1S/C16H13ClN4OS/c1-23-16-20-14(19-15(18)21-16)11-3-2-8-6-22-7-9-4-10(17)5-12(11)13(8)9/h2-5H,6-7H2,1H3,(H2,18,19,20,21)	PDB MMDB NCI pathway 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	3.40	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to N-terminus biotinylated human Hsp90 alpha by surface plasmon resonance assay				Bioorg Med Chem Lett 22: 1136-41 (2012) Article DOI: 10.1016/j.bmcl.2011.11.100 BindingDB Entry DOI: 10.7270/Q2KH0NS7
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50362220 (CHEMBL1939379) Show SMILES Cc1cc(C)c2cc1-c1cc(SCCC(=O)NCCCNC2=O)nc(N)n1 Show InChI InChI=1S/C19H23N5O2S/c1-11-8-12(2)14-9-13(11)15-10-17(24-19(20)23-15)27-7-4-16(25)21-5-3-6-22-18(14)26/h8-10H,3-7H2,1-2H3,(H,21,25)(H,22,26)(H2,20,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to N-terminus biotinylated human Hsp90 alpha by surface plasmon resonance assay				Bioorg Med Chem Lett 22: 1136-41 (2012) Article DOI: 10.1016/j.bmcl.2011.11.100 BindingDB Entry DOI: 10.7270/Q2KH0NS7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50362221 (CHEMBL1939385) Show SMILES Cc1cc(C)c2cc1-c1cc(SCCOC(=O)NCCNC2=O)nc(N)n1 Show InChI InChI=1S/C18H21N5O3S/c1-10-7-11(2)13-8-12(10)14-9-15(23-17(19)22-14)27-6-5-26-18(25)21-4-3-20-16(13)24/h7-9H,3-6H2,1-2H3,(H,20,24)(H,21,25)(H2,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to N-terminus biotinylated human Hsp90 alpha by surface plasmon resonance assay				Bioorg Med Chem Lett 22: 1136-41 (2012) Article DOI: 10.1016/j.bmcl.2011.11.100 BindingDB Entry DOI: 10.7270/Q2KH0NS7
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50362222 (CHEMBL1939384) Show SMILES Cc1cc(C)c2cc1-c1cc(SCCNC(=O)OCCNC2=O)nc(N)n1 Show InChI InChI=1S/C18H21N5O3S/c1-10-7-11(2)13-8-12(10)14-9-15(23-17(19)22-14)27-6-4-21-18(25)26-5-3-20-16(13)24/h7-9H,3-6H2,1-2H3,(H,20,24)(H,21,25)(H2,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to N-terminus biotinylated human Hsp90 alpha by surface plasmon resonance assay				Bioorg Med Chem Lett 22: 1136-41 (2012) Article DOI: 10.1016/j.bmcl.2011.11.100 BindingDB Entry DOI: 10.7270/Q2KH0NS7
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50362223 (CHEMBL1939383) Show SMILES Cc1cc(C)c2cc1-c1cc(SCCNC(=O)CCCNC2=O)nc(N)n1 Show InChI InChI=1S/C19H23N5O2S/c1-11-8-12(2)14-9-13(11)15-10-17(24-19(20)23-15)27-7-6-21-16(25)4-3-5-22-18(14)26/h8-10H,3-7H2,1-2H3,(H,21,25)(H,22,26)(H2,20,23,24)	PDB MMDB NCI pathway 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	0.650	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to N-terminus biotinylated human Hsp90 alpha by surface plasmon resonance assay				Bioorg Med Chem Lett 22: 1136-41 (2012) Article DOI: 10.1016/j.bmcl.2011.11.100 BindingDB Entry DOI: 10.7270/Q2KH0NS7
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50362224 (CHEMBL1939382) Show SMILES Cc1cc(C)c2cc1-c1cc(SCCCC(=O)NCCNC2=O)nc(N)n1 Show InChI InChI=1S/C19H23N5O2S/c1-11-8-12(2)14-9-13(11)15-10-17(24-19(20)23-15)27-7-3-4-16(25)21-5-6-22-18(14)26/h8-10H,3-7H2,1-2H3,(H,21,25)(H,22,26)(H2,20,23,24)	PDB MMDB NCI pathway 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	0.610	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to N-terminus biotinylated human Hsp90 alpha by surface plasmon resonance assay				Bioorg Med Chem Lett 22: 1136-41 (2012) Article DOI: 10.1016/j.bmcl.2011.11.100 BindingDB Entry DOI: 10.7270/Q2KH0NS7
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50362225 (CHEMBL1939381) Show SMILES Cc1cc(C)c2cc1-c1cc(SCCC(=O)NCCCCCNC2=O)nc(N)n1 Show InChI InChI=1S/C21H27N5O2S/c1-13-10-14(2)16-11-15(13)17-12-19(26-21(22)25-17)29-9-6-18(27)23-7-4-3-5-8-24-20(16)28/h10-12H,3-9H2,1-2H3,(H,23,27)(H,24,28)(H2,22,25,26)	PDB MMDB NCI pathway 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	0.25	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to N-terminus biotinylated human Hsp90 alpha by surface plasmon resonance assay				Bioorg Med Chem Lett 22: 1136-41 (2012) Article DOI: 10.1016/j.bmcl.2011.11.100 BindingDB Entry DOI: 10.7270/Q2KH0NS7
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50362226 (CHEMBL1939380) Show SMILES Cc1cc(C)c2cc1-c1cc(SCCC(=O)NCCCCNC2=O)nc(N)n1 Show InChI InChI=1S/C20H25N5O2S/c1-12-9-13(2)15-10-14(12)16-11-18(25-20(21)24-16)28-8-5-17(26)22-6-3-4-7-23-19(15)27/h9-11H,3-8H2,1-2H3,(H,22,26)(H,23,27)(H2,21,24,25)	PDB MMDB NCI pathway 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	0.380	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to N-terminus biotinylated human Hsp90 alpha by surface plasmon resonance assay				Bioorg Med Chem Lett 22: 1136-41 (2012) Article DOI: 10.1016/j.bmcl.2011.11.100 BindingDB Entry DOI: 10.7270/Q2KH0NS7
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50362227 (CHEMBL1939378) Show SMILES CCOc1cc(C)c-2cc1C(=O)NCCCOc1cccc(Sc3cc-2nc(N)n3)c1 Show InChI InChI=1S/C23H24N4O3S/c1-3-29-20-10-14(2)17-12-18(20)22(28)25-8-5-9-30-15-6-4-7-16(11-15)31-21-13-19(17)26-23(24)27-21/h4,6-7,10-13H,3,5,8-9H2,1-2H3,(H,25,28)(H2,24,26,27)	PDB MMDB NCI pathway 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	10	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to N-terminus biotinylated human Hsp90 alpha by surface plasmon resonance assay				Bioorg Med Chem Lett 22: 1136-41 (2012) Article DOI: 10.1016/j.bmcl.2011.11.100 BindingDB Entry DOI: 10.7270/Q2KH0NS7
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50362228 (CHEMBL1939377) Show SMILES COc1cc(C)c-2cc1C(=O)NCCCOc1cccc(Sc3cc-2nc(N)n3)c1 Show InChI InChI=1S/C22H22N4O3S/c1-13-9-19(28-2)17-11-16(13)18-12-20(26-22(23)25-18)30-15-6-3-5-14(10-15)29-8-4-7-24-21(17)27/h3,5-6,9-12H,4,7-8H2,1-2H3,(H,24,27)(H2,23,25,26)	PDB MMDB NCI pathway 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	5.80	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to N-terminus biotinylated human Hsp90 alpha by surface plasmon resonance assay				Bioorg Med Chem Lett 22: 1136-41 (2012) Article DOI: 10.1016/j.bmcl.2011.11.100 BindingDB Entry DOI: 10.7270/Q2KH0NS7
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50362229 (CHEMBL1939376) Show SMILES Cc1cc(C)c2cc1-c1cc(Sc3cccc(OCCCCCNC2=O)c3)nc(N)n1 Show InChI InChI=1S/C24H26N4O2S/c1-15-11-16(2)20-13-19(15)21-14-22(28-24(25)27-21)31-18-8-6-7-17(12-18)30-10-5-3-4-9-26-23(20)29/h6-8,11-14H,3-5,9-10H2,1-2H3,(H,26,29)(H2,25,27,28)	PDB MMDB NCI pathway 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	6.20	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to N-terminus biotinylated human Hsp90 alpha by surface plasmon resonance assay				Bioorg Med Chem Lett 22: 1136-41 (2012) Article DOI: 10.1016/j.bmcl.2011.11.100 BindingDB Entry DOI: 10.7270/Q2KH0NS7
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50362230 (CHEMBL1939375) Show SMILES Cc1cc(C)c2cc1-c1cc(Sc3cccc(OCCCCNC2=O)c3)nc(N)n1 Show InChI InChI=1S/C23H24N4O2S/c1-14-10-15(2)19-12-18(14)20-13-21(27-23(24)26-20)30-17-7-5-6-16(11-17)29-9-4-3-8-25-22(19)28/h5-7,10-13H,3-4,8-9H2,1-2H3,(H,25,28)(H2,24,26,27)	PDB MMDB NCI pathway 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	7.40	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to N-terminus biotinylated human Hsp90 alpha by surface plasmon resonance assay				Bioorg Med Chem Lett 22: 1136-41 (2012) Article DOI: 10.1016/j.bmcl.2011.11.100 BindingDB Entry DOI: 10.7270/Q2KH0NS7
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50362231 (CHEMBL1939374) Show SMILES Cc1cc(C)c2cc1-c1cc(Sc3cccc(OCCCNC2=O)c3)nc(N)n1 Show InChI InChI=1S/C22H22N4O2S/c1-13-9-14(2)18-11-17(13)19-12-20(26-22(23)25-19)29-16-6-3-5-15(10-16)28-8-4-7-24-21(18)27/h3,5-6,9-12H,4,7-8H2,1-2H3,(H,24,27)(H2,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to N-terminus biotinylated human Hsp90 alpha by surface plasmon resonance assay				Bioorg Med Chem Lett 22: 1136-41 (2012) Article DOI: 10.1016/j.bmcl.2011.11.100 BindingDB Entry DOI: 10.7270/Q2KH0NS7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50362232 (CHEMBL1939373) Show SMILES Nc1nc2Sc3cccc(OCCCCOc4cc(c(Cl)cc4Cl)-c(c2)n1)c3 Show InChI InChI=1S/C20H17Cl2N3O2S/c21-15-10-16(22)18-9-14(15)17-11-19(25-20(23)24-17)28-13-5-3-4-12(8-13)26-6-1-2-7-27-18/h3-5,8-11H,1-2,6-7H2,(H2,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to N-terminus biotinylated human Hsp90 alpha by surface plasmon resonance assay				Bioorg Med Chem Lett 22: 1136-41 (2012) Article DOI: 10.1016/j.bmcl.2011.11.100 BindingDB Entry DOI: 10.7270/Q2KH0NS7
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50362233 (CHEMBL1939372) Show SMILES Cc1ccc2OCCCCCOc3cccc(Sc4cc(nc(N)n4)-c1c2)c3 Show InChI InChI=1S/C22H23N3O2S/c1-15-8-9-17-13-19(15)20-14-21(25-22(23)24-20)28-18-7-5-6-16(12-18)26-10-3-2-4-11-27-17/h5-9,12-14H,2-4,10-11H2,1H3,(H2,23,24,25)	PDB MMDB NCI pathway 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	84	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to N-terminus biotinylated human Hsp90 alpha by surface plasmon resonance assay				Bioorg Med Chem Lett 22: 1136-41 (2012) Article DOI: 10.1016/j.bmcl.2011.11.100 BindingDB Entry DOI: 10.7270/Q2KH0NS7
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50362234 (CHEMBL1939371) Show SMILES Cc1ccc2OCCCCOc3cccc(Sc4cc(nc(N)n4)-c1c2)c3 Show InChI InChI=1S/C21H21N3O2S/c1-14-7-8-16-12-18(14)19-13-20(24-21(22)23-19)27-17-6-4-5-15(11-17)25-9-2-3-10-26-16/h4-8,11-13H,2-3,9-10H2,1H3,(H2,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to N-terminus biotinylated human Hsp90 alpha by surface plasmon resonance assay				Bioorg Med Chem Lett 22: 1136-41 (2012) Article DOI: 10.1016/j.bmcl.2011.11.100 BindingDB Entry DOI: 10.7270/Q2KH0NS7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50362235 (CHEMBL1939370) Show SMILES Cc1ccc2OCCCOc3cccc(Sc4cc(nc(N)n4)-c1c2)c3 Show InChI InChI=1S/C20H19N3O2S/c1-13-6-7-15-11-17(13)18-12-19(23-20(21)22-18)26-16-5-2-4-14(10-16)24-8-3-9-25-15/h2,4-7,10-12H,3,8-9H2,1H3,(H2,21,22,23)	PDB MMDB NCI pathway 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	120	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to N-terminus biotinylated human Hsp90 alpha by surface plasmon resonance assay				Bioorg Med Chem Lett 22: 1136-41 (2012) Article DOI: 10.1016/j.bmcl.2011.11.100 BindingDB Entry DOI: 10.7270/Q2KH0NS7
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50495239 (CHEMBL3104272) Show SMILES CC(=O)NCCSc1nc(N)nc(n1)-c1c(Cl)cc2COCc3cccc1c23 Show InChI InChI=1S/C19H18ClN5O2S/c1-10(26)22-5-6-28-19-24-17(23-18(21)25-19)16-13-4-2-3-11-8-27-9-12(15(11)13)7-14(16)20/h2-4,7H,5-6,8-9H2,1H3,(H,22,26)(H2,21,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.820	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to human biotinylated N-terminal Hsp90alpha (9 to 236) by surface plasmon resonance assay				Bioorg Med Chem 22: 892-905 (2014) Article DOI: 10.1016/j.bmc.2013.11.036 BindingDB Entry DOI: 10.7270/Q2PR7ZXR
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50495240 (CHEMBL3104278) Show SMILES NC(=O)CCSc1nc(N)nc(n1)-c1c(Cl)cc2COCc3cccc1c23 Show InChI InChI=1S/C18H16ClN5O2S/c19-12-6-10-8-26-7-9-2-1-3-11(14(9)10)15(12)16-22-17(21)24-18(23-16)27-5-4-13(20)25/h1-3,6H,4-5,7-8H2,(H2,20,25)(H2,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to human biotinylated N-terminal Hsp90alpha (9 to 236) by surface plasmon resonance assay				Bioorg Med Chem 22: 892-905 (2014) Article DOI: 10.1016/j.bmc.2013.11.036 BindingDB Entry DOI: 10.7270/Q2PR7ZXR
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50495241 (CHEMBL3104286) Show SMILES CN(C)C(=O)CCSc1nc(N)nc(n1)-c1c(Cl)cc2COCc3cccc1c23 Show InChI InChI=1S/C20H20ClN5O2S/c1-26(2)15(27)6-7-29-20-24-18(23-19(22)25-20)17-13-5-3-4-11-9-28-10-12(16(11)13)8-14(17)21/h3-5,8H,6-7,9-10H2,1-2H3,(H2,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to human biotinylated N-terminal Hsp90alpha (9 to 236) by surface plasmon resonance assay				Bioorg Med Chem 22: 892-905 (2014) Article DOI: 10.1016/j.bmc.2013.11.036 BindingDB Entry DOI: 10.7270/Q2PR7ZXR
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50495242 (CHEMBL3104287) Show SMILES Nc1nc(SCCC(=O)NCCO)nc(n1)-c1c(Cl)cc2COCc3cccc1c23 Show InChI InChI=1S/C20H20ClN5O3S/c21-14-8-12-10-29-9-11-2-1-3-13(16(11)12)17(14)18-24-19(22)26-20(25-18)30-7-4-15(28)23-5-6-27/h1-3,8,27H,4-7,9-10H2,(H,23,28)(H2,22,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to human biotinylated N-terminal Hsp90alpha (9 to 236) by surface plasmon resonance assay				Bioorg Med Chem 22: 892-905 (2014) Article DOI: 10.1016/j.bmc.2013.11.036 BindingDB Entry DOI: 10.7270/Q2PR7ZXR
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50495243 (CHEMBL3104280) Show SMILES CC(CSc1nc(N)nc(n1)-c1c(Cl)cc2COCc3cccc1c23)C(N)=O Show InChI InChI=1S/C19H18ClN5O2S/c1-9(16(21)26)8-28-19-24-17(23-18(22)25-19)15-12-4-2-3-10-6-27-7-11(14(10)12)5-13(15)20/h2-5,9H,6-8H2,1H3,(H2,21,26)(H2,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to human biotinylated N-terminal Hsp90alpha (9 to 236) by surface plasmon resonance assay				Bioorg Med Chem 22: 892-905 (2014) Article DOI: 10.1016/j.bmc.2013.11.036 BindingDB Entry DOI: 10.7270/Q2PR7ZXR
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50495244 (CHEMBL3104276) Show SMILES Nc1nc(SCCO)nc(n1)-c1c(Cl)cc2COCc3cccc1c23 Show InChI InChI=1S/C17H15ClN4O2S/c18-12-6-10-8-24-7-9-2-1-3-11(13(9)10)14(12)15-20-16(19)22-17(21-15)25-5-4-23/h1-3,6,23H,4-5,7-8H2,(H2,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to human biotinylated N-terminal Hsp90alpha (9 to 236) by surface plasmon resonance assay				Bioorg Med Chem 22: 892-905 (2014) Article DOI: 10.1016/j.bmc.2013.11.036 BindingDB Entry DOI: 10.7270/Q2PR7ZXR
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50495245 (CHEMBL3104289) Show SMILES NC(=O)CCCSc1nc(N)nc(n1)-c1c(Cl)cc2COCc3cccc1c23 Show InChI InChI=1S/C19H18ClN5O2S/c20-13-7-11-9-27-8-10-3-1-4-12(15(10)11)16(13)17-23-18(22)25-19(24-17)28-6-2-5-14(21)26/h1,3-4,7H,2,5-6,8-9H2,(H2,21,26)(H2,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	0.480	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to human biotinylated N-terminal Hsp90alpha (9 to 236) by surface plasmon resonance assay				Bioorg Med Chem 22: 892-905 (2014) Article DOI: 10.1016/j.bmc.2013.11.036 BindingDB Entry DOI: 10.7270/Q2PR7ZXR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50495246 (CHEMBL3104288) Show SMILES NC(=O)CSc1nc(N)nc(n1)-c1c(Cl)cc2COCc3cccc1c23 Show InChI InChI=1S/C17H14ClN5O2S/c18-11-4-9-6-25-5-8-2-1-3-10(13(8)9)14(11)15-21-16(20)23-17(22-15)26-7-12(19)24/h1-4H,5-7H2,(H2,19,24)(H2,20,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to human biotinylated N-terminal Hsp90alpha (9 to 236) by surface plasmon resonance assay				Bioorg Med Chem 22: 892-905 (2014) Article DOI: 10.1016/j.bmc.2013.11.036 BindingDB Entry DOI: 10.7270/Q2PR7ZXR
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50495247 (CHEMBL3104283) Show SMILES Nc1nc(SC[C@@H]2CNC(=O)O2)nc(n1)-c1c(Cl)cc2COCc3cccc1c23 |r| Show InChI InChI=1S/C19H16ClN5O3S/c20-13-4-10-7-27-6-9-2-1-3-12(14(9)10)15(13)16-23-17(21)25-18(24-16)29-8-11-5-22-19(26)28-11/h1-4,11H,5-8H2,(H,22,26)(H2,21,23,24,25)/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to human biotinylated N-terminal Hsp90alpha (9 to 236) by surface plasmon resonance assay				Bioorg Med Chem 22: 892-905 (2014) Article DOI: 10.1016/j.bmc.2013.11.036 BindingDB Entry DOI: 10.7270/Q2PR7ZXR
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50495248 (CHEMBL3104281) Show SMILES C[C@H](CSc1nc(N)nc(n1)-c1c(Cl)cc2COCc3cccc1c23)C(N)=O |r| Show InChI InChI=1S/C19H18ClN5O2S/c1-9(16(21)26)8-28-19-24-17(23-18(22)25-19)15-12-4-2-3-10-6-27-7-11(14(10)12)5-13(15)20/h2-5,9H,6-8H2,1H3,(H2,21,26)(H2,22,23,24,25)/t9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to human biotinylated N-terminal Hsp90alpha (9 to 236) by surface plasmon resonance assay				Bioorg Med Chem 22: 892-905 (2014) Article DOI: 10.1016/j.bmc.2013.11.036 BindingDB Entry DOI: 10.7270/Q2PR7ZXR
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50495249 (CHEMBL3104279) Show SMILES CC(=O)N[C@@H](CSc1nc(N)nc(n1)-c1c(Cl)cc2COCc3cccc1c23)C(N)=O |r| Show InChI InChI=1S/C20H19ClN6O3S/c1-9(28)24-14(17(22)29)8-31-20-26-18(25-19(23)27-20)16-12-4-2-3-10-6-30-7-11(15(10)12)5-13(16)21/h2-5,14H,6-8H2,1H3,(H2,22,29)(H,24,28)(H2,23,25,26,27)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to human biotinylated N-terminal Hsp90alpha (9 to 236) by surface plasmon resonance assay				Bioorg Med Chem 22: 892-905 (2014) Article DOI: 10.1016/j.bmc.2013.11.036 BindingDB Entry DOI: 10.7270/Q2PR7ZXR
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50495250 (CHEMBL3104277) Show SMILES NC(=O)OCCSc1nc(N)nc(n1)-c1c(Cl)cc2COCc3cccc1c23 Show InChI InChI=1S/C18H16ClN5O3S/c19-12-6-10-8-26-7-9-2-1-3-11(13(9)10)14(12)15-22-16(20)24-18(23-15)28-5-4-27-17(21)25/h1-3,6H,4-5,7-8H2,(H2,21,25)(H2,20,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to human biotinylated N-terminal Hsp90alpha (9 to 236) by surface plasmon resonance assay				Bioorg Med Chem 22: 892-905 (2014) Article DOI: 10.1016/j.bmc.2013.11.036 BindingDB Entry DOI: 10.7270/Q2PR7ZXR
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50495251 (CHEMBL3104275) Show SMILES CN(C)CCSc1nc(N)nc(n1)-c1c(Cl)cc2COCc3cccc1c23 Show InChI InChI=1S/C19H20ClN5OS/c1-25(2)6-7-27-19-23-17(22-18(21)24-19)16-13-5-3-4-11-9-26-10-12(15(11)13)8-14(16)20/h3-5,8H,6-7,9-10H2,1-2H3,(H2,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to human biotinylated N-terminal Hsp90alpha (9 to 236) by surface plasmon resonance assay				Bioorg Med Chem 22: 892-905 (2014) Article DOI: 10.1016/j.bmc.2013.11.036 BindingDB Entry DOI: 10.7270/Q2PR7ZXR
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50495252 (CHEMBL3104274) Show SMILES NC(=O)NCCSc1nc(N)nc(n1)-c1c(Cl)cc2COCc3cccc1c23 Show InChI InChI=1S/C18H17ClN6O2S/c19-12-6-10-8-27-7-9-2-1-3-11(13(9)10)14(12)15-23-16(20)25-18(24-15)28-5-4-22-17(21)26/h1-3,6H,4-5,7-8H2,(H3,21,22,26)(H2,20,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to human biotinylated N-terminal Hsp90alpha (9 to 236) by surface plasmon resonance assay				Bioorg Med Chem 22: 892-905 (2014) Article DOI: 10.1016/j.bmc.2013.11.036 BindingDB Entry DOI: 10.7270/Q2PR7ZXR
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50495253 (CHEMBL3104284) Show SMILES Nc1nc(SC[C@H]2CNC(=O)O2)nc(n1)-c1c(Cl)cc2COCc3cccc1c23 |r| Show InChI InChI=1S/C19H16ClN5O3S/c20-13-4-10-7-27-6-9-2-1-3-12(14(9)10)15(13)16-23-17(21)25-18(24-16)29-8-11-5-22-19(26)28-11/h1-4,11H,5-8H2,(H,22,26)(H2,21,23,24,25)/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to human biotinylated N-terminal Hsp90alpha (9 to 236) by surface plasmon resonance assay				Bioorg Med Chem 22: 892-905 (2014) Article DOI: 10.1016/j.bmc.2013.11.036 BindingDB Entry DOI: 10.7270/Q2PR7ZXR
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50495254 (CHEMBL3104273) Show SMILES CS(=O)(=O)NCCSc1nc(N)nc(n1)-c1c(Cl)cc2COCc3cccc1c23 Show InChI InChI=1S/C18H18ClN5O3S2/c1-29(25,26)21-5-6-28-18-23-16(22-17(20)24-18)15-12-4-2-3-10-8-27-9-11(14(10)12)7-13(15)19/h2-4,7,21H,5-6,8-9H2,1H3,(H2,20,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to human biotinylated N-terminal Hsp90alpha (9 to 236) by surface plasmon resonance assay				Bioorg Med Chem 22: 892-905 (2014) Article DOI: 10.1016/j.bmc.2013.11.036 BindingDB Entry DOI: 10.7270/Q2PR7ZXR
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50495255 (CHEMBL3104282) Show SMILES CC(C)(CSc1nc(N)nc(n1)-c1c(Cl)cc2COCc3cccc1c23)C(N)=O Show InChI InChI=1S/C20H20ClN5O2S/c1-20(2,17(22)27)9-29-19-25-16(24-18(23)26-19)15-12-5-3-4-10-7-28-8-11(14(10)12)6-13(15)21/h3-6H,7-9H2,1-2H3,(H2,22,27)(H2,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to human biotinylated N-terminal Hsp90alpha (9 to 236) by surface plasmon resonance assay				Bioorg Med Chem 22: 892-905 (2014) Article DOI: 10.1016/j.bmc.2013.11.036 BindingDB Entry DOI: 10.7270/Q2PR7ZXR
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50495256 (CHEMBL3104285) Show SMILES CNC(=O)CCSc1nc(N)nc(n1)-c1c(Cl)cc2COCc3cccc1c23 Show InChI InChI=1S/C19H18ClN5O2S/c1-22-14(26)5-6-28-19-24-17(23-18(21)25-19)16-12-4-2-3-10-8-27-9-11(15(10)12)7-13(16)20/h2-4,7H,5-6,8-9H2,1H3,(H,22,26)(H2,21,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to human biotinylated N-terminal Hsp90alpha (9 to 236) by surface plasmon resonance assay				Bioorg Med Chem 22: 892-905 (2014) Article DOI: 10.1016/j.bmc.2013.11.036 BindingDB Entry DOI: 10.7270/Q2PR7ZXR
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50338038 (3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-N-(2-h...) Show SMILES OCCONC(=O)c1cc(CN2OCCCC2=O)c(F)c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C20H19F3IN3O5/c21-14-9-12(24)3-4-15(14)25-19-13(20(30)26-31-7-5-28)8-11(17(22)18(19)23)10-27-16(29)2-1-6-32-27/h3-4,8-9,25,28H,1-2,5-7,10H2,(H,26,30)	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	MMDB PDB Article PubMed	n/a	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to MEK1 by surface plasmon resonance in absence of ATP				Bioorg Med Chem Lett 21: 1795-801 (2011) Article DOI: 10.1016/j.bmcl.2011.01.062 BindingDB Entry DOI: 10.7270/Q2R49R27
					More data for this Ligand-Target Pair				3D Structure (crystal)