BDBM50357457 CHEMBL1917726

SMILES: NC(=O)CCC(=O)NC1c2ccccc2-c2c1cccc2-c1nc2ccncc2[nH]1

InChI Key: InChIKey=ROTVJYWUPWSGIX-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50357457   

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))	BDBM50357457 (CHEMBL1917726) Show SMILES NC(=O)CCC(=O)NC1c2ccccc2-c2c1cccc2-c1nc2ccncc2[nH]1 Show InChI InChI=1S/C23H19N5O2/c24-19(29)8-9-20(30)28-22-14-5-2-1-4-13(14)21-15(22)6-3-7-16(21)23-26-17-10-11-25-12-18(17)27-23/h1-7,10-12,22H,8-9H2,(H2,24,29)(H,26,27)(H,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Research and Development Curated by ChEMBL					Assay Description Inhibition of HSP90beta in human SKBR3 cells assessed as down regulation of HER2 expression levels after 24 hrs by FACS analysis				J Med Chem 54: 7206-19 (2011) Article DOI: 10.1021/jm200784m BindingDB Entry DOI: 10.7270/Q2QR4XH4
					More data for this Ligand-Target Pair				3D Structure (crystal)