BDBM50385996 CHEMBL2042889

SMILES: NC(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O

InChI Key: InChIKey=NBCYNPWWMQEIPD-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50385996   

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))	BDBM50385996 (CHEMBL2042889) Show SMILES NC(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O Show InChI InChI=1S/C15H13N3O2/c16-15(20)11-7-10-12(6-9-4-2-1-3-5-9)17-18-13(10)8-14(11)19/h1-5,7-8,19H,6H2,(H2,16,20)(H,17,18)	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	6.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair