BDBM50182709 4-(4-(4-(4-(methylsulfonyl)benzyl)piperazin-1-yl)-1H-pyrazol-3-yl)-6-phenethylbenzene-1,3-diol::CHEMBL207757
SMILES: CS(=O)(=O)c1ccc(CN2CCN(CC2)c2c[nH]nc2-c2cc(CCc3ccccc3)c(O)cc2O)cc1
InChI Key: InChIKey=YBGGSTRJIWHNQM-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50182709 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)) | BDBM50182709
(4-(4-(4-(4-(methylsulfonyl)benzyl)piperazin-1-yl)-...)Show SMILES CS(=O)(=O)c1ccc(CN2CCN(CC2)c2c[nH]nc2-c2cc(CCc3ccccc3)c(O)cc2O)cc1 Show InChI InChI=1S/C29H32N4O4S/c1-38(36,37)24-11-8-22(9-12-24)20-32-13-15-33(16-14-32)26-19-30-31-29(26)25-17-23(27(34)18-28(25)35)10-7-21-5-3-2-4-6-21/h2-6,8-9,11-12,17-19,34-35H,7,10,13-16,20H2,1H3,(H,30,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.18E+4 | 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)) | BDBM50182709
(4-(4-(4-(4-(methylsulfonyl)benzyl)piperazin-1-yl)-...)Show SMILES CS(=O)(=O)c1ccc(CN2CCN(CC2)c2c[nH]nc2-c2cc(CCc3ccccc3)c(O)cc2O)cc1 Show InChI InChI=1S/C29H32N4O4S/c1-38(36,37)24-11-8-22(9-12-24)20-32-13-15-33(16-14-32)26-19-30-31-29(26)25-17-23(27(34)18-28(25)35)10-7-21-5-3-2-4-6-21/h2-6,8-9,11-12,17-19,34-35H,7,10,13-16,20H2,1H3,(H,30,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.20E+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 | |