BDBM50468089 CHEMBL1632145

SMILES: Oc1c(Br)cc(Br)cc1C(=O)Nc1ccc(Sc2nc3ccccc3s2)c(Cl)c1

InChI Key: InChIKey=HTAXJAXYMIQYCT-UHFFFAOYSA-N

Data: 13 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 13 hits for monomerid = 50468089   

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)	BDBM50468089 (CHEMBL1632145) Show SMILES Oc1c(Br)cc(Br)cc1C(=O)Nc1ccc(Sc2nc3ccccc3s2)c(Cl)c1 Show InChI InChI=1S/C20H11Br2ClN2O2S2/c21-10-7-12(18(26)13(22)8-10)19(27)24-11-5-6-16(14(23)9-11)28-20-25-15-3-1-2-4-17(15)29-20/h1-9,26H,(H,24,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ...				J Med Chem 61: 10651-10664 (2018) Article DOI: 10.1021/acs.jmedchem.8b01293 BindingDB Entry DOI: 10.7270/Q2MG7S6W
					More data for this Ligand-Target Pair
Thiosulfate sulfurtransferase (Homo sapiens)	BDBM50468089 (CHEMBL1632145) Show SMILES Oc1c(Br)cc(Br)cc1C(=O)Nc1ccc(Sc2nc3ccccc3s2)c(Cl)c1 Show InChI InChI=1S/C20H11Br2ClN2O2S2/c21-10-7-12(18(26)13(22)8-10)19(27)24-11-5-6-16(14(23)9-11)28-20-25-15-3-1-2-4-17(15)29-20/h1-9,26H,(H,24,27)	PDB UniProtKB/SwissProt 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 School of Medicine Curated by ChEMBL					Assay Description Inhibition of refolded rhodanese (unknown origin) preincubated with Escherichia coli GroEL/GroES for 60 mins in absence of compound followed by compo...				J Med Chem 61: 10651-10664 (2018) Article DOI: 10.1021/acs.jmedchem.8b01293 BindingDB Entry DOI: 10.7270/Q2MG7S6W
					More data for this Ligand-Target Pair
10 kDa chaperonin (Escherichia coli)	BDBM50468089 (CHEMBL1632145) Show SMILES Oc1c(Br)cc(Br)cc1C(=O)Nc1ccc(Sc2nc3ccccc3s2)c(Cl)c1 Show InChI InChI=1S/C20H11Br2ClN2O2S2/c21-10-7-12(18(26)13(22)8-10)19(27)24-11-5-6-16(14(23)9-11)28-20-25-15-3-1-2-4-17(15)29-20/h1-9,26H,(H,24,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ...				J Med Chem 61: 10651-10664 (2018) Article DOI: 10.1021/acs.jmedchem.8b01293 BindingDB Entry DOI: 10.7270/Q2MG7S6W
					More data for this Ligand-Target Pair
60 kDa heat shock protein, mitochondrial (Homo sapiens)	BDBM50468089 (CHEMBL1632145) Show SMILES Oc1c(Br)cc(Br)cc1C(=O)Nc1ccc(Sc2nc3ccccc3s2)c(Cl)c1 Show InChI InChI=1S/C20H11Br2ClN2O2S2/c21-10-7-12(18(26)13(22)8-10)19(27)24-11-5-6-16(14(23)9-11)28-20-25-15-3-1-2-4-17(15)29-20/h1-9,26H,(H,24,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Roset...				J Med Chem 61: 10651-10664 (2018) Article DOI: 10.1021/acs.jmedchem.8b01293 BindingDB Entry DOI: 10.7270/Q2MG7S6W
					More data for this Ligand-Target Pair
10 kDa chaperonin (Escherichia coli)	BDBM50468089 (CHEMBL1632145) Show SMILES Oc1c(Br)cc(Br)cc1C(=O)Nc1ccc(Sc2nc3ccccc3s2)c(Cl)c1 Show InChI InChI=1S/C20H11Br2ClN2O2S2/c21-10-7-12(18(26)13(22)8-10)19(27)24-11-5-6-16(14(23)9-11)28-20-25-15-3-1-2-4-17(15)29-20/h1-9,26H,(H,24,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.10E+3	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)	BDBM50468089 (CHEMBL1632145) Show SMILES Oc1c(Br)cc(Br)cc1C(=O)Nc1ccc(Sc2nc3ccccc3s2)c(Cl)c1 Show InChI InChI=1S/C20H11Br2ClN2O2S2/c21-10-7-12(18(26)13(22)8-10)19(27)24-11-5-6-16(14(23)9-11)28-20-25-15-3-1-2-4-17(15)29-20/h1-9,26H,(H,24,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+3	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)	BDBM50468089 (CHEMBL1632145) Show SMILES Oc1c(Br)cc(Br)cc1C(=O)Nc1ccc(Sc2nc3ccccc3s2)c(Cl)c1 Show InChI InChI=1S/C20H11Br2ClN2O2S2/c21-10-7-12(18(26)13(22)8-10)19(27)24-11-5-6-16(14(23)9-11)28-20-25-15-3-1-2-4-17(15)29-20/h1-9,26H,(H,24,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	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
10 kDa chaperonin (Escherichia coli)	BDBM50468089 (CHEMBL1632145) Show SMILES Oc1c(Br)cc(Br)cc1C(=O)Nc1ccc(Sc2nc3ccccc3s2)c(Cl)c1 Show InChI InChI=1S/C20H11Br2ClN2O2S2/c21-10-7-12(18(26)13(22)8-10)19(27)24-11-5-6-16(14(23)9-11)28-20-25-15-3-1-2-4-17(15)29-20/h1-9,26H,(H,24,27)	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)	BDBM50468089 (CHEMBL1632145) Show SMILES Oc1c(Br)cc(Br)cc1C(=O)Nc1ccc(Sc2nc3ccccc3s2)c(Cl)c1 Show InChI InChI=1S/C20H11Br2ClN2O2S2/c21-10-7-12(18(26)13(22)8-10)19(27)24-11-5-6-16(14(23)9-11)28-20-25-15-3-1-2-4-17(15)29-20/h1-9,26H,(H,24,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.50E+3	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
10 kDa chaperonin (Escherichia coli)	BDBM50468089 (CHEMBL1632145) Show SMILES Oc1c(Br)cc(Br)cc1C(=O)Nc1ccc(Sc2nc3ccccc3s2)c(Cl)c1 Show InChI InChI=1S/C20H11Br2ClN2O2S2/c21-10-7-12(18(26)13(22)8-10)19(27)24-11-5-6-16(14(23)9-11)28-20-25-15-3-1-2-4-17(15)29-20/h1-9,26H,(H,24,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	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)	BDBM50468089 (CHEMBL1632145) Show SMILES Oc1c(Br)cc(Br)cc1C(=O)Nc1ccc(Sc2nc3ccccc3s2)c(Cl)c1 Show InChI InChI=1S/C20H11Br2ClN2O2S2/c21-10-7-12(18(26)13(22)8-10)19(27)24-11-5-6-16(14(23)9-11)28-20-25-15-3-1-2-4-17(15)29-20/h1-9,26H,(H,24,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	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)	BDBM50468089 (CHEMBL1632145) Show SMILES Oc1c(Br)cc(Br)cc1C(=O)Nc1ccc(Sc2nc3ccccc3s2)c(Cl)c1 Show InChI InChI=1S/C20H11Br2ClN2O2S2/c21-10-7-12(18(26)13(22)8-10)19(27)24-11-5-6-16(14(23)9-11)28-20-25-15-3-1-2-4-17(15)29-20/h1-9,26H,(H,24,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+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
10 kDa chaperonin (Escherichia coli)	BDBM50468089 (CHEMBL1632145) Show SMILES Oc1c(Br)cc(Br)cc1C(=O)Nc1ccc(Sc2nc3ccccc3s2)c(Cl)c1 Show InChI InChI=1S/C20H11Br2ClN2O2S2/c21-10-7-12(18(26)13(22)8-10)19(27)24-11-5-6-16(14(23)9-11)28-20-25-15-3-1-2-4-17(15)29-20/h1-9,26H,(H,24,27)	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