Found 12 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
(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 MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
KEGG PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Keimyung University
Curated by ChEMBL
| Assay Description Inhibition of fluorescein isothiocyanate labeled geldanamycin binding to N-terminal domain of full length human recombinant Hsp90alpha expressed in E... |
Eur J Med Chem 124: 1069-1080 (2016)
Article DOI: 10.1016/j.ejmech.2016.10.038 BindingDB Entry DOI: 10.7270/Q29G5PZZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50210933
(CHEMBL3935883)Show InChI InChI=1S/C17H19NO3S/c1-10(2)12-7-13(15(20)8-14(12)19)17(21)18-5-3-16-11(9-18)4-6-22-16/h4,6-8,10,19-20H,3,5,9H2,1-2H3 | 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 | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Keimyung University
Curated by ChEMBL
| Assay Description Inhibition of fluorescein isothiocyanate labeled geldanamycin binding to N-terminal domain of full length human recombinant Hsp90alpha expressed in E... |
Eur J Med Chem 124: 1069-1080 (2016)
Article DOI: 10.1016/j.ejmech.2016.10.038 BindingDB Entry DOI: 10.7270/Q29G5PZZ |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50210934
(CHEMBL3950691)Show InChI InChI=1S/C14H12ClNO3S/c15-10-5-9(11(17)6-12(10)18)14(19)16-3-1-8-2-4-20-13(8)7-16/h2,4-6,17-18H,1,3,7H2 | 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 | 136 | n/a | n/a | n/a | n/a | n/a | n/a |
Keimyung University
Curated by ChEMBL
| Assay Description Inhibition of fluorescein isothiocyanate labeled geldanamycin binding to N-terminal domain of full length human recombinant Hsp90alpha expressed in E... |
Eur J Med Chem 124: 1069-1080 (2016)
Article DOI: 10.1016/j.ejmech.2016.10.038 BindingDB Entry DOI: 10.7270/Q29G5PZZ |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50210939
(CHEMBL3913987)Show InChI InChI=1S/C16H14ClNO3/c17-13-7-12(14(19)8-15(13)20)16(21)18-6-5-10-3-1-2-4-11(10)9-18/h1-4,7-8,19-20H,5-6,9H2 | 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 | 183 | n/a | n/a | n/a | n/a | n/a | n/a |
Keimyung University
Curated by ChEMBL
| Assay Description Inhibition of fluorescein isothiocyanate labeled geldanamycin binding to N-terminal domain of full length human recombinant Hsp90alpha expressed in E... |
Eur J Med Chem 124: 1069-1080 (2016)
Article DOI: 10.1016/j.ejmech.2016.10.038 BindingDB Entry DOI: 10.7270/Q29G5PZZ |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50210936
(CHEMBL3922964)Show InChI InChI=1S/C17H17ClN2O3/c18-14-10-13(15(21)11-16(14)22)17(23)20-8-6-19(7-9-20)12-4-2-1-3-5-12/h1-5,10-11,21-22H,6-9H2 | 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 | 481 | n/a | n/a | n/a | n/a | n/a | n/a |
Keimyung University
Curated by ChEMBL
| Assay Description Inhibition of fluorescein isothiocyanate labeled geldanamycin binding to N-terminal domain of full length human recombinant Hsp90alpha expressed in E... |
Eur J Med Chem 124: 1069-1080 (2016)
Article DOI: 10.1016/j.ejmech.2016.10.038 BindingDB Entry DOI: 10.7270/Q29G5PZZ |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50210937
(CHEMBL3985903)Show InChI InChI=1S/C13H10ClNO3/c14-10-6-9(11(16)7-12(10)17)13(18)15-8-4-2-1-3-5-8/h1-7,16-17H,(H,15,18) | 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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Keimyung University
Curated by ChEMBL
| Assay Description Inhibition of fluorescein isothiocyanate labeled geldanamycin binding to N-terminal domain of full length human recombinant Hsp90alpha expressed in E... |
Eur J Med Chem 124: 1069-1080 (2016)
Article DOI: 10.1016/j.ejmech.2016.10.038 BindingDB Entry DOI: 10.7270/Q29G5PZZ |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50210935
(CHEMBL3926941)Show InChI InChI=1S/C13H8ClNO3/c14-8-5-7(10(16)6-11(8)17)13-15-9-3-1-2-4-12(9)18-13/h1-6,16-17H | 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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Keimyung University
Curated by ChEMBL
| Assay Description Inhibition of fluorescein isothiocyanate labeled geldanamycin binding to N-terminal domain of full length human recombinant Hsp90alpha expressed in E... |
Eur J Med Chem 124: 1069-1080 (2016)
Article DOI: 10.1016/j.ejmech.2016.10.038 BindingDB Entry DOI: 10.7270/Q29G5PZZ |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50210938
(CHEMBL3957228)Show InChI InChI=1S/C13H10ClNO4/c14-10-5-9(11(17)6-12(10)18)13(19)15-7-1-3-8(16)4-2-7/h1-6,16-18H,(H,15,19) | 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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Keimyung University
Curated by ChEMBL
| Assay Description Inhibition of fluorescein isothiocyanate labeled geldanamycin binding to N-terminal domain of full length human recombinant Hsp90alpha expressed in E... |
Eur J Med Chem 124: 1069-1080 (2016)
Article DOI: 10.1016/j.ejmech.2016.10.038 BindingDB Entry DOI: 10.7270/Q29G5PZZ |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50210933
(CHEMBL3935883)Show InChI InChI=1S/C17H19NO3S/c1-10(2)12-7-13(15(20)8-14(12)19)17(21)18-5-3-16-11(9-18)4-6-22-16/h4,6-8,10,19-20H,3,5,9H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Keimyung University
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 in human liver microsomes assessed as omepraozle hydroxylation by LC/MS/MS analysis |
Eur J Med Chem 124: 1069-1080 (2016)
Article DOI: 10.1016/j.ejmech.2016.10.038 BindingDB Entry DOI: 10.7270/Q29G5PZZ |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50210933
(CHEMBL3935883)Show InChI InChI=1S/C17H19NO3S/c1-10(2)12-7-13(15(20)8-14(12)19)17(21)18-5-3-16-11(9-18)4-6-22-16/h4,6-8,10,19-20H,3,5,9H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Keimyung University
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 in human liver microsomes assessed as phenacetin O-deethylation by LC/MS/MS analysis |
Eur J Med Chem 124: 1069-1080 (2016)
Article DOI: 10.1016/j.ejmech.2016.10.038 BindingDB Entry DOI: 10.7270/Q29G5PZZ |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50210933
(CHEMBL3935883)Show InChI InChI=1S/C17H19NO3S/c1-10(2)12-7-13(15(20)8-14(12)19)17(21)18-5-3-16-11(9-18)4-6-22-16/h4,6-8,10,19-20H,3,5,9H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Keimyung University
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 in human liver microsomes assessed as dextromethorphan O-demethylation by LC/MS/MS analysis |
Eur J Med Chem 124: 1069-1080 (2016)
Article DOI: 10.1016/j.ejmech.2016.10.038 BindingDB Entry DOI: 10.7270/Q29G5PZZ |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50210933
(CHEMBL3935883)Show InChI InChI=1S/C17H19NO3S/c1-10(2)12-7-13(15(20)8-14(12)19)17(21)18-5-3-16-11(9-18)4-6-22-16/h4,6-8,10,19-20H,3,5,9H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Keimyung University
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human liver microsomes assessed as tolbutamide 4-methylhydroxylation by LC/MS/MS analysis |
Eur J Med Chem 124: 1069-1080 (2016)
Article DOI: 10.1016/j.ejmech.2016.10.038 BindingDB Entry DOI: 10.7270/Q29G5PZZ |
More data for this Ligand-Target Pair | |