BDBM50260460 ELISABATIN A

SMILES: [#6]-[#6@H]-1-[#6]-[#6@@H](\[#6]=[#6](\[#6])-[#6])-[#6]-2=[#6](-[#6])-[#6](=O)-[#6](=O)-c3c(-[#6])cc(-[#8])c-1c-23

InChI Key: InChIKey=JVQJPMIBFYBOEO-GXFFZTMASA-N

Data: 6 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 6 hits for monomerid = 50260460   

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
ATP-dependent RNA helicase DDX39A (Homo sapiens)	BDBM50260460 (ELISABATIN A) Show SMILES [#6]-[#6@H]-1-[#6]-[#6@@H](\[#6]=[#6](\[#6])-[#6])-[#6]-2=[#6](-[#6])-[#6](=O)-[#6](=O)-c3c(-[#6])cc(-[#8])c-1c-23 |r,c:8| Show InChI InChI=1S/C20H22O3/c1-9(2)6-13-7-10(3)15-14(21)8-11(4)16-18(15)17(13)12(5)19(22)20(16)23/h6,8,10,13,21H,7H2,1-5H3/t10-,13+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Inhibition of DDX39A (unknown origin) expressed in Escherichia coli BL21(Rosetta 2) preincubated for 10 mins followed by ATP addition measured after ...				Bioorg Med Chem Lett 27: 4082-4085 (2017) Article DOI: 10.1016/j.bmcl.2017.07.045 BindingDB Entry DOI: 10.7270/Q2QJ7KR6
					More data for this Ligand-Target Pair
Probable ATP-dependent RNA helicase DDX17 (Homo sapiens)	BDBM50260460 (ELISABATIN A) Show SMILES [#6]-[#6@H]-1-[#6]-[#6@@H](\[#6]=[#6](\[#6])-[#6])-[#6]-2=[#6](-[#6])-[#6](=O)-[#6](=O)-c3c(-[#6])cc(-[#8])c-1c-23 |r,c:8| Show InChI InChI=1S/C20H22O3/c1-9(2)6-13-7-10(3)15-14(21)8-11(4)16-18(15)17(13)12(5)19(22)20(16)23/h6,8,10,13,21H,7H2,1-5H3/t10-,13+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Inhibition of DDX17 (unknown origin) expressed in Escherichia coli BL21(DE3) preincubated for 10 mins followed by ATP addition measured after 120 min...				Bioorg Med Chem Lett 27: 4082-4085 (2017) Article DOI: 10.1016/j.bmcl.2017.07.045 BindingDB Entry DOI: 10.7270/Q2QJ7KR6
					More data for this Ligand-Target Pair
Valosin containing protein, p97 subunit (Homo sapiens (Human))	BDBM50260460 (ELISABATIN A) Show SMILES [#6]-[#6@H]-1-[#6]-[#6@@H](\[#6]=[#6](\[#6])-[#6])-[#6]-2=[#6](-[#6])-[#6](=O)-[#6](=O)-c3c(-[#6])cc(-[#8])c-1c-23 |r,c:8| Show InChI InChI=1S/C20H22O3/c1-9(2)6-13-7-10(3)15-14(21)8-11(4)16-18(15)17(13)12(5)19(22)20(16)23/h6,8,10,13,21H,7H2,1-5H3/t10-,13+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Inhibition of p97 (unknown origin) expressed in Escherichia coli BL21(DE3) preincubated for 10 mins followed by ATP addition measured after 60 mins b...				Bioorg Med Chem Lett 27: 4082-4085 (2017) Article DOI: 10.1016/j.bmcl.2017.07.045 BindingDB Entry DOI: 10.7270/Q2QJ7KR6
					More data for this Ligand-Target Pair
60 kDa heat shock protein, mitochondrial (Homo sapiens)	BDBM50260460 (ELISABATIN A) Show SMILES [#6]-[#6@H]-1-[#6]-[#6@@H](\[#6]=[#6](\[#6])-[#6])-[#6]-2=[#6](-[#6])-[#6](=O)-[#6](=O)-c3c(-[#6])cc(-[#8])c-1c-23 |r,c:8| Show InChI InChI=1S/C20H22O3/c1-9(2)6-13-7-10(3)15-14(21)8-11(4)16-18(15)17(13)12(5)19(22)20(16)23/h6,8,10,13,21H,7H2,1-5H3/t10-,13+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Inhibition of GroEL (unknown origin) expressed in Escherichia coli DH5 alpha preincubated for 10 mins followed by ATP addition by malachite green dye...				Bioorg Med Chem Lett 27: 4082-4085 (2017) Article DOI: 10.1016/j.bmcl.2017.07.045 BindingDB Entry DOI: 10.7270/Q2QJ7KR6
					More data for this Ligand-Target Pair
Heat Shock 70kDa Protein 1 (Homo sapiens (Human))	BDBM50260460 (ELISABATIN A) Show SMILES [#6]-[#6@H]-1-[#6]-[#6@@H](\[#6]=[#6](\[#6])-[#6])-[#6]-2=[#6](-[#6])-[#6](=O)-[#6](=O)-c3c(-[#6])cc(-[#8])c-1c-23 |r,c:8| Show InChI InChI=1S/C20H22O3/c1-9(2)6-13-7-10(3)15-14(21)8-11(4)16-18(15)17(13)12(5)19(22)20(16)23/h6,8,10,13,21H,7H2,1-5H3/t10-,13+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Inhibition of HSPA1A (unknown origin) expressed in Escherichia coli BL21(DE3) preincubated for 10 mins followed by ATP addition by malachite green dy...				Bioorg Med Chem Lett 27: 4082-4085 (2017) Article DOI: 10.1016/j.bmcl.2017.07.045 BindingDB Entry DOI: 10.7270/Q2QJ7KR6
					More data for this Ligand-Target Pair
ATP-dependent RNA helicase DDX3X (Homo sapiens (Human))	BDBM50260460 (ELISABATIN A) Show SMILES [#6]-[#6@H]-1-[#6]-[#6@@H](\[#6]=[#6](\[#6])-[#6])-[#6]-2=[#6](-[#6])-[#6](=O)-[#6](=O)-c3c(-[#6])cc(-[#8])c-1c-23 |r,c:8| Show InChI InChI=1S/C20H22O3/c1-9(2)6-13-7-10(3)15-14(21)8-11(4)16-18(15)17(13)12(5)19(22)20(16)23/h6,8,10,13,21H,7H2,1-5H3/t10-,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Inhibition of DDX3 (unknown origin) preincubated for 10 mins followed by ATP addition by malachite green dye-based assay				Bioorg Med Chem Lett 27: 4082-4085 (2017) Article DOI: 10.1016/j.bmcl.2017.07.045 BindingDB Entry DOI: 10.7270/Q2QJ7KR6
					More data for this Ligand-Target Pair