BDBM50048520 CHEMBL3360777
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC1=O)C(N)=O
InChI Key:
Data: 2 IC50
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 HSP 90-beta (Homo sapiens (Human)) | BDBM50048520 (CHEMBL3360777) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 730 | n/a | n/a | n/a | n/a | n/a | n/a |
Tufts University Curated by ChEMBL | Assay Description Inhibition of HSP90 in human MDA-kb2 cells assessed as reduction in glucocorticoid receptor-dependent luciferase expression after 18 hrs by firefly l... | Bioorg Med Chem 22: 3989-93 (2014) Article DOI: 10.1016/j.bmc.2014.06.006 BindingDB Entry DOI: 10.7270/Q24F1SDM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Heat shock protein HSP 90 (Oryctolagus cuniculus) | BDBM50048520 (CHEMBL3360777) | GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tufts University Curated by ChEMBL | Assay Description Inhibition of HSP90 in rabbit reticulocyte lysate after 90 mins by luciferase renaturation assay | Bioorg Med Chem 22: 3989-93 (2014) Article DOI: 10.1016/j.bmc.2014.06.006 BindingDB Entry DOI: 10.7270/Q24F1SDM | |||||||||||
More data for this Ligand-Target Pair |