BDBM50495826 CHEMBL3115909

SMILES: OC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccc(cc1)-c1ccc(cc1)-c1nc([nH]c1-c1ccccc1)-c1ccc(cc1)C(O)=O

InChI Key: InChIKey=GXRUWXQJEVKSSC-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 = 50495826   

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
Co-chaperonin GroES (Escherichia coli)	BDBM50495826 (CHEMBL3115909) Show SMILES OC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccc(cc1)-c1ccc(cc1)-c1nc([nH]c1-c1ccccc1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C44H30N4O4/c49-43(50)35-23-19-33(20-24-35)41-45-37(29-7-3-1-4-8-29)39(47-41)31-15-11-27(12-16-31)28-13-17-32(18-14-28)40-38(30-9-5-2-6-10-30)46-42(48-40)34-21-25-36(26-22-34)44(51)52/h1-26H,(H,45,47)(H,46,48)(H,49,50)(H,51,52)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GroEL/GroES expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH refolding preinc...				Bioorg Med Chem Lett 24: 786-9 (2014) Article DOI: 10.1016/j.bmcl.2013.12.100 BindingDB Entry DOI: 10.7270/Q27D2Z3M
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50495826 (CHEMBL3115909) Show SMILES OC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccc(cc1)-c1ccc(cc1)-c1nc([nH]c1-c1ccccc1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C44H30N4O4/c49-43(50)35-23-19-33(20-24-35)41-45-37(29-7-3-1-4-8-29)39(47-41)31-15-11-27(12-16-31)28-13-17-32(18-14-28)40-38(30-9-5-2-6-10-30)46-42(48-40)34-21-25-36(26-22-34)44(51)52/h1-26H,(H,45,47)(H,46,48)(H,49,50)(H,51,52)	PDB UniProtKB/TrEMBL 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
Indiana University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GroEL/GroES-ATPase activity expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH ...				Bioorg Med Chem Lett 24: 786-9 (2014) Article DOI: 10.1016/j.bmcl.2013.12.100 BindingDB Entry DOI: 10.7270/Q27D2Z3M
					More data for this Ligand-Target Pair