BDBM50182700 4-phenethyl-6-(4-(piperazin-1-yl)-1H-pyrazol-3-yl)benzene-1,3-diol::CHEMBL383262
SMILES: Oc1cc(O)c(cc1CCc1ccccc1)-c1n[nH]cc1N1CCNCC1
InChI Key: InChIKey=IUWOBILYJWQZQU-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50182700 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Heat Shock Protein 90 (Hsp90)
(Homo sapiens (Human)) | BDBM50182700
(4-phenethyl-6-(4-(piperazin-1-yl)-1H-pyrazol-3-yl)...)Show SMILES Oc1cc(O)c(cc1CCc1ccccc1)-c1n[nH]cc1N1CCNCC1 Show InChI InChI=1S/C21H24N4O2/c26-19-13-20(27)17(12-16(19)7-6-15-4-2-1-3-5-15)21-18(14-23-24-21)25-10-8-22-9-11-25/h1-5,12-14,22,26-27H,6-11H2,(H,23,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd
Curated by ChEMBL
| Assay Description Inhibition of HSP90 ATPase activity |
Bioorg Med Chem Lett 16: 2543-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.099 BindingDB Entry DOI: 10.7270/Q2G44PWS |
More data for this Ligand-Target Pair | |
Heat Shock Protein 90 (Hsp90)
(Homo sapiens (Human)) | BDBM50182700
(4-phenethyl-6-(4-(piperazin-1-yl)-1H-pyrazol-3-yl)...)Show SMILES Oc1cc(O)c(cc1CCc1ccccc1)-c1n[nH]cc1N1CCNCC1 Show InChI InChI=1S/C21H24N4O2/c26-19-13-20(27)17(12-16(19)7-6-15-4-2-1-3-5-15)21-18(14-23-24-21)25-10-8-22-9-11-25/h1-5,12-14,22,26-27H,6-11H2,(H,23,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd
Curated by ChEMBL
| Assay Description Inhibition of HSP90 by FP assay |
Bioorg Med Chem Lett 16: 2543-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.099 BindingDB Entry DOI: 10.7270/Q2G44PWS |
More data for this Ligand-Target Pair | |