BDBM50485823 BROMODERIVATIVE::bromoderivative

SMILES: Nc1ncnc2n(CCc3ccccc3Br)c(Sc3cc4OCOc4cc3Br)nc12

InChI Key: InChIKey=PVFOHMXILQEIHX-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50485823   

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))	BDBM50485823 (BROMODERIVATIVE | bromoderivative) Show SMILES Nc1ncnc2n(CCc3ccccc3Br)c(Sc3cc4OCOc4cc3Br)nc12 Show InChI InChI=1S/C20H15Br2N5O2S/c21-12-4-2-1-3-11(12)5-6-27-19-17(18(23)24-9-25-19)26-20(27)30-16-8-15-14(7-13(16)22)28-10-29-15/h1-4,7-9H,5-6,10H2,(H2,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis Inc. Curated by ChEMBL					Assay Description Inhibition of human HSP90 using BODIPY labelled geldanamycin as substrate by fluorescence polarization assay				J Med Chem 55: 7480-501 (2012) Article DOI: 10.1021/jm3004619 BindingDB Entry DOI: 10.7270/Q2CC13JM
					More data for this Ligand-Target Pair
Heat Shock Protein 90 (Hsp90) (Homo sapiens (Human))	BDBM50485823 (BROMODERIVATIVE | bromoderivative) Show SMILES Nc1ncnc2n(CCc3ccccc3Br)c(Sc3cc4OCOc4cc3Br)nc12 Show InChI InChI=1S/C20H15Br2N5O2S/c21-12-4-2-1-3-11(12)5-6-27-19-17(18(23)24-9-25-19)26-20(27)30-16-8-15-14(7-13(16)22)28-10-29-15/h1-4,7-9H,5-6,10H2,(H2,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis Inc. Curated by ChEMBL					Assay Description Inhibition of human HSP90 in HCT116 cells expressing Her2 gene assessed as degradation of Her2 after 4 hrs by luciferase reporter gene assay				J Med Chem 55: 7480-501 (2012) Article DOI: 10.1021/jm3004619 BindingDB Entry DOI: 10.7270/Q2CC13JM
					More data for this Ligand-Target Pair