BDBM50468057 CHEMBL4281358

SMILES: Oc1c(Br)cccc1C(=O)Nc1ccc(Sc2nc3ccccc3s2)cc1

InChI Key: InChIKey=IXVZWQZFLVNMBK-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50468057   

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
Thiosulfate sulfurtransferase (Homo sapiens)	BDBM50468057 (CHEMBL4281358) Show SMILES Oc1c(Br)cccc1C(=O)Nc1ccc(Sc2nc3ccccc3s2)cc1 Show InChI InChI=1S/C20H13BrN2O2S2/c21-15-5-3-4-14(18(15)24)19(25)22-12-8-10-13(11-9-12)26-20-23-16-6-1-2-7-17(16)27-20/h1-11,24H,(H,22,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	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)	BDBM50468057 (CHEMBL4281358) Show SMILES Oc1c(Br)cccc1C(=O)Nc1ccc(Sc2nc3ccccc3s2)cc1 Show InChI InChI=1S/C20H13BrN2O2S2/c21-15-5-3-4-14(18(15)24)19(25)22-12-8-10-13(11-9-12)26-20-23-16-6-1-2-7-17(16)27-20/h1-11,24H,(H,22,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+4	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)	BDBM50468057 (CHEMBL4281358) Show SMILES Oc1c(Br)cccc1C(=O)Nc1ccc(Sc2nc3ccccc3s2)cc1 Show InChI InChI=1S/C20H13BrN2O2S2/c21-15-5-3-4-14(18(15)24)19(25)22-12-8-10-13(11-9-12)26-20-23-16-6-1-2-7-17(16)27-20/h1-11,24H,(H,22,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+4	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)	BDBM50468057 (CHEMBL4281358) Show SMILES Oc1c(Br)cccc1C(=O)Nc1ccc(Sc2nc3ccccc3s2)cc1 Show InChI InChI=1S/C20H13BrN2O2S2/c21-15-5-3-4-14(18(15)24)19(25)22-12-8-10-13(11-9-12)26-20-23-16-6-1-2-7-17(16)27-20/h1-11,24H,(H,22,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+4	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