BDBM50495827 CHEMBL3116089

SMILES: Nc1nnc(SCC(=O)c2ccc(cc2)-c2ccccc2)s1

InChI Key: InChIKey=KLRKJVZGVZOVTI-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 = 50495827   

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)	BDBM50495827 (CHEMBL3116089) Show SMILES Nc1nnc(SCC(=O)c2ccc(cc2)-c2ccccc2)s1 Show InChI InChI=1S/C16H13N3OS2/c17-15-18-19-16(22-15)21-10-14(20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H2,17,18)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90E+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)	BDBM50495827 (CHEMBL3116089) Show SMILES Nc1nnc(SCC(=O)c2ccc(cc2)-c2ccccc2)s1 Show InChI InChI=1S/C16H13N3OS2/c17-15-18-19-16(22-15)21-10-14(20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H2,17,18)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.07E+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)	BDBM50495827 (CHEMBL3116089) Show SMILES Nc1nnc(SCC(=O)c2ccc(cc2)-c2ccccc2)s1 Show InChI InChI=1S/C16H13N3OS2/c17-15-18-19-16(22-15)21-10-14(20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H2,17,18)	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)	BDBM50495827 (CHEMBL3116089) Show SMILES Nc1nnc(SCC(=O)c2ccc(cc2)-c2ccccc2)s1 Show InChI InChI=1S/C16H13N3OS2/c17-15-18-19-16(22-15)21-10-14(20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H2,17,18)	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)	BDBM50495827 (CHEMBL3116089) Show SMILES Nc1nnc(SCC(=O)c2ccc(cc2)-c2ccccc2)s1 Show InChI InChI=1S/C16H13N3OS2/c17-15-18-19-16(22-15)21-10-14(20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H2,17,18)	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)	BDBM50495827 (CHEMBL3116089) Show SMILES Nc1nnc(SCC(=O)c2ccc(cc2)-c2ccccc2)s1 Show InChI InChI=1S/C16H13N3OS2/c17-15-18-19-16(22-15)21-10-14(20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H2,17,18)	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
HSP60/HSP10 (Homo sapiens)	BDBM50495827 (CHEMBL3116089) Show SMILES Nc1nnc(SCC(=O)c2ccc(cc2)-c2ccccc2)s1 Show InChI InChI=1S/C16H13N3OS2/c17-15-18-19-16(22-15)21-10-14(20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H2,17,18)	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
10 kDa chaperonin (Escherichia coli)	BDBM50495827 (CHEMBL3116089) Show SMILES Nc1nnc(SCC(=O)c2ccc(cc2)-c2ccccc2)s1 Show InChI InChI=1S/C16H13N3OS2/c17-15-18-19-16(22-15)21-10-14(20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H2,17,18)	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)	BDBM50495827 (CHEMBL3116089) Show SMILES Nc1nnc(SCC(=O)c2ccc(cc2)-c2ccccc2)s1 Show InChI InChI=1S/C16H13N3OS2/c17-15-18-19-16(22-15)21-10-14(20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H2,17,18)	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