BDBM50182713 4-(4-(4-(4-(methylsulfonyl)benzylamino)piperidin-1-yl)-1H-pyrazol-3-yl)-6-bromobenzene-1,3-diol::CHEMBL207397
SMILES: CS(=O)(=O)c1ccc(CNC2CCN(CC2)c2c[nH]nc2-c2cc(Br)c(O)cc2O)cc1
InChI Key: InChIKey=LZXCWIJGZCWQNU-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50182713 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)) | BDBM50182713
(4-(4-(4-(4-(methylsulfonyl)benzylamino)piperidin-1...)Show SMILES CS(=O)(=O)c1ccc(CNC2CCN(CC2)c2c[nH]nc2-c2cc(Br)c(O)cc2O)cc1 Show InChI InChI=1S/C22H25BrN4O4S/c1-32(30,31)16-4-2-14(3-5-16)12-24-15-6-8-27(9-7-15)19-13-25-26-22(19)17-10-18(23)21(29)11-20(17)28/h2-5,10-11,13,15,24,28-29H,6-9,12H2,1H3,(H,25,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4.03E+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)) | BDBM50182713
(4-(4-(4-(4-(methylsulfonyl)benzylamino)piperidin-1...)Show SMILES CS(=O)(=O)c1ccc(CNC2CCN(CC2)c2c[nH]nc2-c2cc(Br)c(O)cc2O)cc1 Show InChI InChI=1S/C22H25BrN4O4S/c1-32(30,31)16-4-2-14(3-5-16)12-24-15-6-8-27(9-7-15)19-13-25-26-22(19)17-10-18(23)21(29)11-20(17)28/h2-5,10-11,13,15,24,28-29H,6-9,12H2,1H3,(H,25,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.39E+4 | 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 | |