BDBM40735 3-[(5-anilino-6-methoxy-8-quinolyl)amino]propyl-diethyl-amine::8-N-[3-(diethylamino)propyl]-6-methoxy-5-N-phenylquinoline-5,8-diamine::N8-[3-(diethylamino)propyl]-6-methoxy-N5-phenyl-quinoline-5,8-diamine::N8-[3-(diethylamino)propyl]-6-methoxy-N5-phenylquinoline-5,8-diamine::cid_220612

SMILES: CCN(CC)CCCNc1cc(OC)c(Nc2ccccc2)c2cccnc12

InChI Key: InChIKey=FXMYAFICWADZRR-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 40735   

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-alpha (Homo sapiens (Human))	BDBM40735 (3-[(5-anilino-6-methoxy-8-quinolyl)amino]propyl-di...) Show SMILES CCN(CC)CCCNc1cc(OC)c(Nc2ccccc2)c2cccnc12 Show InChI InChI=1S/C23H30N4O/c1-4-27(5-2)16-10-15-24-20-17-21(28-3)23(19-13-9-14-25-22(19)20)26-18-11-7-6-8-12-18/h6-9,11-14,17,24,26H,4-5,10,15-16H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat Shock Protein 90 (Hsp90) (Homo sapiens (Human))	BDBM40735 (3-[(5-anilino-6-methoxy-8-quinolyl)amino]propyl-di...) Show SMILES CCN(CC)CCCNc1cc(OC)c(Nc2ccccc2)c2cccnc12 Show InChI InChI=1S/C23H30N4O/c1-4-27(5-2)16-10-15-24-20-17-21(28-3)23(19-13-9-14-25-22(19)20)26-18-11-7-6-8-12-18/h6-9,11-14,17,24,26H,4-5,10,15-16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of Hsp90 in human MCF7 cell lysates assessed as interaction with Cy3b-conjugated geldanamycin by FP assay				Bioorg Med Chem 16: 6903-10 (2008) Article DOI: 10.1016/j.bmc.2008.05.047 BindingDB Entry DOI: 10.7270/Q2WS8X18
					More data for this Ligand-Target Pair
Heat Shock Protein 90 (Hsp90) (Homo sapiens (Human))	BDBM40735 (3-[(5-anilino-6-methoxy-8-quinolyl)amino]propyl-di...) Show SMILES CCN(CC)CCCNc1cc(OC)c(Nc2ccccc2)c2cccnc12 Show InChI InChI=1S/C23H30N4O/c1-4-27(5-2)16-10-15-24-20-17-21(28-3)23(19-13-9-14-25-22(19)20)26-18-11-7-6-8-12-18/h6-9,11-14,17,24,26H,4-5,10,15-16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of Hsp90 in human MCF7 cells assessed as Her2 level after 24 hrs by Western blot				Bioorg Med Chem 16: 6903-10 (2008) Article DOI: 10.1016/j.bmc.2008.05.047 BindingDB Entry DOI: 10.7270/Q2WS8X18
					More data for this Ligand-Target Pair