BDBM50495817 CHEMBL3116087

SMILES: CC(=O)c1cc2OCCOc2cc1NC(=O)c1ccccc1Br

InChI Key: InChIKey=KYUGNTXCPHZVNJ-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 50495817   

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
10 kDa chaperonin (Escherichia coli)	BDBM50495817 (CHEMBL3116087) Show SMILES CC(=O)c1cc2OCCOc2cc1NC(=O)c1ccccc1Br Show InChI InChI=1S/C17H14BrNO4/c1-10(20)12-8-15-16(23-7-6-22-15)9-14(12)19-17(21)11-4-2-3-5-13(11)18/h2-5,8-9H,6-7H2,1H3,(H,19,21)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+5	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 using Escherichia coli GroEL expressed in Escherichia coli DH5alpha cells and Escherichia coli GroES expre...				Bioorg Med Chem Lett 26: 3127-3134 (2016) Article DOI: 10.1016/j.bmcl.2016.04.089 BindingDB Entry DOI: 10.7270/Q22J6FW2
					More data for this Ligand-Target Pair
10 kDa chaperonin (Escherichia coli)	BDBM50495817 (CHEMBL3116087) Show SMILES CC(=O)c1cc2OCCOc2cc1NC(=O)c1ccccc1Br Show InChI InChI=1S/C17H14BrNO4/c1-10(20)12-8-15-16(23-7-6-22-15)9-14(12)19-17(21)11-4-2-3-5-13(11)18/h2-5,8-9H,6-7H2,1H3,(H,19,21)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+5	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 using Escherichia coli GroEL expressed in Escherichia coli DH5alpha cells and Escherichia coli GroES expre...				Bioorg Med Chem Lett 26: 3127-3134 (2016) Article DOI: 10.1016/j.bmcl.2016.04.089 BindingDB Entry DOI: 10.7270/Q22J6FW2
					More data for this Ligand-Target Pair
HSP60/HSP10 (Homo sapiens)	BDBM50495817 (CHEMBL3116087) Show SMILES CC(=O)c1cc2OCCOc2cc1NC(=O)c1ccccc1Br Show InChI InChI=1S/C17H14BrNO4/c1-10(20)12-8-15-16(23-7-6-22-15)9-14(12)19-17(21)11-4-2-3-5-13(11)18/h2-5,8-9H,6-7H2,1H3,(H,19,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of human HSP60/HSP10 expressed in Escherichia coli Rosetta2(DE3) cells assessed as reduction in denatured pig heart MDH ATPase activity by...				Bioorg Med Chem Lett 26: 3127-3134 (2016) Article DOI: 10.1016/j.bmcl.2016.04.089 BindingDB Entry DOI: 10.7270/Q22J6FW2
					More data for this Ligand-Target Pair
10 kDa chaperonin (Escherichia coli)	BDBM50495817 (CHEMBL3116087) Show SMILES CC(=O)c1cc2OCCOc2cc1NC(=O)c1ccccc1Br Show InChI InChI=1S/C17H14BrNO4/c1-10(20)12-8-15-16(23-7-6-22-15)9-14(12)19-17(21)11-4-2-3-5-13(11)18/h2-5,8-9H,6-7H2,1H3,(H,19,21)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	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 using Escherichia coli GroEL expressed in Escherichia coli DH5alpha cells and Escherichia coli GroES expre...				Bioorg Med Chem Lett 26: 3127-3134 (2016) Article DOI: 10.1016/j.bmcl.2016.04.089 BindingDB Entry DOI: 10.7270/Q22J6FW2
					More data for this Ligand-Target Pair
10 kDa chaperonin (Escherichia coli)	BDBM50495817 (CHEMBL3116087) Show SMILES CC(=O)c1cc2OCCOc2cc1NC(=O)c1ccccc1Br Show InChI InChI=1S/C17H14BrNO4/c1-10(20)12-8-15-16(23-7-6-22-15)9-14(12)19-17(21)11-4-2-3-5-13(11)18/h2-5,8-9H,6-7H2,1H3,(H,19,21)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+5	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
10 kDa chaperonin (Escherichia coli)	BDBM50495817 (CHEMBL3116087) Show SMILES CC(=O)c1cc2OCCOc2cc1NC(=O)c1ccccc1Br Show InChI InChI=1S/C17H14BrNO4/c1-10(20)12-8-15-16(23-7-6-22-15)9-14(12)19-17(21)11-4-2-3-5-13(11)18/h2-5,8-9H,6-7H2,1H3,(H,19,21)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>6.25E+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 using Escherichia coli GroEL expressed in Escherichia coli DH5alpha cells and Escherichia coli GroES expre...				Bioorg Med Chem Lett 26: 3127-3134 (2016) Article DOI: 10.1016/j.bmcl.2016.04.089 BindingDB Entry DOI: 10.7270/Q22J6FW2
					More data for this Ligand-Target Pair
10 kDa chaperonin (Escherichia coli)	BDBM50495817 (CHEMBL3116087) Show SMILES CC(=O)c1cc2OCCOc2cc1NC(=O)c1ccccc1Br Show InChI InChI=1S/C17H14BrNO4/c1-10(20)12-8-15-16(23-7-6-22-15)9-14(12)19-17(21)11-4-2-3-5-13(11)18/h2-5,8-9H,6-7H2,1H3,(H,19,21)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	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 using Escherichia coli GroEL expressed in Escherichia coli DH5alpha cells and Escherichia coli GroES expre...				Bioorg Med Chem Lett 26: 3127-3134 (2016) Article DOI: 10.1016/j.bmcl.2016.04.089 BindingDB Entry DOI: 10.7270/Q22J6FW2
					More data for this Ligand-Target Pair
10 kDa chaperonin (Escherichia coli)	BDBM50495817 (CHEMBL3116087) Show SMILES CC(=O)c1cc2OCCOc2cc1NC(=O)c1ccccc1Br Show InChI InChI=1S/C17H14BrNO4/c1-10(20)12-8-15-16(23-7-6-22-15)9-14(12)19-17(21)11-4-2-3-5-13(11)18/h2-5,8-9H,6-7H2,1H3,(H,19,21)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	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
HSP60/HSP10 (Homo sapiens)	BDBM50495817 (CHEMBL3116087) Show SMILES CC(=O)c1cc2OCCOc2cc1NC(=O)c1ccccc1Br Show InChI InChI=1S/C17H14BrNO4/c1-10(20)12-8-15-16(23-7-6-22-15)9-14(12)19-17(21)11-4-2-3-5-13(11)18/h2-5,8-9H,6-7H2,1H3,(H,19,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of human HSP60/HSP10 expressed in Escherichia coli Rosetta2(DE3) cells assessed as inhibition of denatured pig heart MDH refolding by meas...				Bioorg Med Chem Lett 26: 3127-3134 (2016) Article DOI: 10.1016/j.bmcl.2016.04.089 BindingDB Entry DOI: 10.7270/Q22J6FW2
					More data for this Ligand-Target Pair