Affinity Data by PubMed id=27783977

PubMed code 27783977

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	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50008059 (CHEBI:5292 \| GELDANAMYCIN) Show SMILES Show InChI	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
Keimyung University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50210933 (CHEMBL3935883) Show SMILES CC(C)c1cc(C(=O)N2CCc3sccc3C2)c(O)cc1O Show InChI	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
Keimyung University Curated by ChEMBL					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50210934 (CHEMBL3950691) Show SMILES Oc1cc(O)c(cc1Cl)C(=O)N1CCc2ccsc2C1 Show InChI	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
Keimyung University Curated by ChEMBL					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50210939 (CHEMBL3913987) Show SMILES Oc1cc(O)c(cc1Cl)C(=O)N1CCc2ccccc2C1 Show InChI	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
Keimyung University Curated by ChEMBL					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50210936 (CHEMBL3922964) Show SMILES Oc1cc(O)c(cc1Cl)C(=O)N1CCN(CC1)c1ccccc1 Show InChI	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
Keimyung University Curated by ChEMBL					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50210937 (CHEMBL3985903) Show SMILES Oc1cc(O)c(cc1Cl)C(=O)Nc1ccccc1 Show InChI	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
Keimyung University Curated by ChEMBL					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50210935 (CHEMBL3926941) Show SMILES Oc1cc(O)c(cc1Cl)-c1nc2ccccc2o1 Show InChI	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
Keimyung University Curated by ChEMBL					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50210938 (CHEMBL3957228) Show SMILES Oc1ccc(NC(=O)c2cc(Cl)c(O)cc2O)cc1 Show InChI	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
Keimyung University Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50210933 (CHEMBL3935883) Show SMILES CC(C)c1cc(C(=O)N2CCc3sccc3C2)c(O)cc1O Show InChI	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
Keimyung University Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50210933 (CHEMBL3935883) Show SMILES CC(C)c1cc(C(=O)N2CCc3sccc3C2)c(O)cc1O Show InChI	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
Keimyung University Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50210933 (CHEMBL3935883) Show SMILES CC(C)c1cc(C(=O)N2CCc3sccc3C2)c(O)cc1O Show InChI	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
Keimyung University Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50210933 (CHEMBL3935883) Show SMILES CC(C)c1cc(C(=O)N2CCc3sccc3C2)c(O)cc1O Show InChI	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
Keimyung University Curated by ChEMBL					More data for this Ligand-Target Pair

* indicates data uncertainty>20%