Found 13 hits of Enzyme Inhibition Constant Data 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-alpha/90-beta
(Homo sapiens (Human)) | BDBM50184279
(1-benzyl-3-(4-morpholinophenylamino)pyrrolidine-2,...)Show SMILES O=C1CC(Nc2ccc(cc2)N2CCOCC2)C(=O)N1Cc1ccccc1 Show InChI InChI=1S/C21H23N3O3/c25-20-14-19(21(26)24(20)15-16-4-2-1-3-5-16)22-17-6-8-18(9-7-17)23-10-12-27-13-11-23/h1-9,19,22H,10-15H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 by recombinant ATPase assay |
Bioorg Med Chem Lett 16: 3005-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.063 BindingDB Entry DOI: 10.7270/Q2W37VXT |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM32184
(CHEMBL209511 | N-(4-chloranyl-2-oxidanyl-phenyl)be...)Show InChI InChI=1S/C12H10ClNO3S/c13-9-6-7-11(12(15)8-9)14-18(16,17)10-4-2-1-3-5-10/h1-8,14-15H | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 by recombinant ATPase assay |
Bioorg Med Chem Lett 16: 3005-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.063 BindingDB Entry DOI: 10.7270/Q2W37VXT |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM55151
(1-(3,4-Dihydroxy-phenyl)-2-(4-hydroxy-6-methyl-pyr...)Show InChI InChI=1S/C13H12N2O4S/c1-7-4-12(19)15-13(14-7)20-6-11(18)8-2-3-9(16)10(17)5-8/h2-5,16-17H,6H2,1H3,(H,14,15,19) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 by recombinant ATPase assay |
Bioorg Med Chem Lett 16: 3005-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.063 BindingDB Entry DOI: 10.7270/Q2W37VXT |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50184280
(CHEMBL385134 | N-(4-hydroxy-3-methylphenyl)-3-meth...)Show InChI InChI=1S/C15H15NO3/c1-10-8-12(6-7-14(10)17)16-15(18)11-4-3-5-13(9-11)19-2/h3-9,17H,1-2H3,(H,16,18) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 by recombinant ATPase assay |
Bioorg Med Chem Lett 16: 3005-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.063 BindingDB Entry DOI: 10.7270/Q2W37VXT |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50184276
(3-(1-hydroxy-3,3-dimethyl-3,4,10,11-tetrahydro-2H-...)Show SMILES CC1(C)CC(=O)C2C(Nc3ccccc3N=C2C1)c1cccc(O)c1O |c:16| Show InChI InChI=1S/C21H22N2O3/c1-21(2)10-15-18(17(25)11-21)19(12-6-5-9-16(24)20(12)26)23-14-8-4-3-7-13(14)22-15/h3-9,18-19,23-24,26H,10-11H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 by recombinant ATPase assay |
Bioorg Med Chem Lett 16: 3005-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.063 BindingDB Entry DOI: 10.7270/Q2W37VXT |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50184282
(4-methoxy-2-(3-(thiophen-2-yl)-1H-pyrazol-4-yl)phe...)Show InChI InChI=1S/C14H12N2O2S/c1-18-9-4-5-12(17)10(7-9)11-8-15-16-14(11)13-3-2-6-19-13/h2-8,17H,1H3,(H,15,16) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 by recombinant ATPase assay |
Bioorg Med Chem Lett 16: 3005-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.063 BindingDB Entry DOI: 10.7270/Q2W37VXT |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50184281
(3-(4-fluorophenoxy)-7,8-dihydroxy-4H-chromen-4-one...)Show InChI InChI=1S/C15H9FO5/c16-8-1-3-9(4-2-8)21-12-7-20-15-10(13(12)18)5-6-11(17)14(15)19/h1-7,17,19H | PDB
Reactome pathway KEGG
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antibodypedia antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 by recombinant ATPase assay |
Bioorg Med Chem Lett 16: 3005-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.063 BindingDB Entry DOI: 10.7270/Q2W37VXT |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50184283
(1-(3-chlorophenyl)pyrazolidine-3,5-dione | CHEMBL2...)Show InChI InChI=1S/C9H7ClN2O2/c10-6-2-1-3-7(4-6)12-9(14)5-8(13)11-12/h1-5,14H,(H,11,13) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 by recombinant ATPase assay |
Bioorg Med Chem Lett 16: 3005-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.063 BindingDB Entry DOI: 10.7270/Q2W37VXT |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM32185
(6-[5-(3-methoxy-4-oxidanyl-phenyl)pyrazolidin-3-yl...)Show InChI InChI=1S/C16H16N2O3/c1-21-16-8-10(6-7-15(16)20)12-9-13(18-17-12)11-4-2-3-5-14(11)19/h2-8,12-13,19-20H,9H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 by recombinant ATPase assay |
Bioorg Med Chem Lett 16: 3005-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.063 BindingDB Entry DOI: 10.7270/Q2W37VXT |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50184278
(CHEMBL380370 | N-(4-(2-amino-4-methylthiazol-5-yl)...)Show InChI InChI=1S/C12H11N5S2/c1-7-10(19-11(13)15-7)8-6-18-12(16-8)17-9-4-2-3-5-14-9/h2-6H,1H3,(H2,13,15)(H,14,16,17) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 by recombinant ATPase assay |
Bioorg Med Chem Lett 16: 3005-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.063 BindingDB Entry DOI: 10.7270/Q2W37VXT |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM32185
(6-[5-(3-methoxy-4-oxidanyl-phenyl)pyrazolidin-3-yl...)Show InChI InChI=1S/C16H16N2O3/c1-21-16-8-10(6-7-15(16)20)12-9-13(18-17-12)11-4-2-3-5-14(11)19/h2-8,12-13,19-20H,9H2,1H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description Inhibition of Her2 in SKBr3 cells by ELISA |
Bioorg Med Chem Lett 16: 3005-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.063 BindingDB Entry DOI: 10.7270/Q2W37VXT |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM32184
(CHEMBL209511 | N-(4-chloranyl-2-oxidanyl-phenyl)be...)Show InChI InChI=1S/C12H10ClNO3S/c13-9-6-7-11(12(15)8-9)14-18(16,17)10-4-2-1-3-5-10/h1-8,14-15H | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description Inhibition of Her2 in SKBr3 cells by ELISA |
Bioorg Med Chem Lett 16: 3005-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.063 BindingDB Entry DOI: 10.7270/Q2W37VXT |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50184276
(3-(1-hydroxy-3,3-dimethyl-3,4,10,11-tetrahydro-2H-...)Show SMILES CC1(C)CC(=O)C2C(Nc3ccccc3N=C2C1)c1cccc(O)c1O |c:16| Show InChI InChI=1S/C21H22N2O3/c1-21(2)10-15-18(17(25)11-21)19(12-6-5-9-16(24)20(12)26)23-14-8-4-3-7-13(14)22-15/h3-9,18-19,23-24,26H,10-11H2,1-2H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description Inhibition of Her2 in SKBr3 cells by ELISA |
Bioorg Med Chem Lett 16: 3005-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.063 BindingDB Entry DOI: 10.7270/Q2W37VXT |
More data for this Ligand-Target Pair | |