BDBM50495806 CHEMBL3115929

SMILES: COc1ccc(cc1)C(=O)N\N=C\c1ccc(O)c2ncccc12

InChI Key: InChIKey=OCXFJDVCUIFSSJ-RGVLZGJSSA-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 = 50495806   

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)	BDBM50495806 (CHEMBL3115929) Show SMILES COc1ccc(cc1)C(=O)N\N=C\c1ccc(O)c2ncccc12 Show InChI InChI=1S/C18H15N3O3/c1-24-14-7-4-12(5-8-14)18(23)21-20-11-13-6-9-16(22)17-15(13)3-2-10-19-17/h2-11,22H,1H3,(H,21,23)/b20-11+	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
HSP60/HSP10 (Homo sapiens)	BDBM50495806 (CHEMBL3115929) Show SMILES COc1ccc(cc1)C(=O)N\N=C\c1ccc(O)c2ncccc12 Show InChI InChI=1S/C18H15N3O3/c1-24-14-7-4-12(5-8-14)18(23)21-20-11-13-6-9-16(22)17-15(13)3-2-10-19-17/h2-11,22H,1H3,(H,21,23)/b20-11+	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
HSP60/HSP10 (Homo sapiens)	BDBM50495806 (CHEMBL3115929) Show SMILES COc1ccc(cc1)C(=O)N\N=C\c1ccc(O)c2ncccc12 Show InChI InChI=1S/C18H15N3O3/c1-24-14-7-4-12(5-8-14)18(23)21-20-11-13-6-9-16(22)17-15(13)3-2-10-19-17/h2-11,22H,1H3,(H,21,23)/b20-11+	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)	BDBM50495806 (CHEMBL3115929) Show SMILES COc1ccc(cc1)C(=O)N\N=C\c1ccc(O)c2ncccc12 Show InChI InChI=1S/C18H15N3O3/c1-24-14-7-4-12(5-8-14)18(23)21-20-11-13-6-9-16(22)17-15(13)3-2-10-19-17/h2-11,22H,1H3,(H,21,23)/b20-11+	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)	BDBM50495806 (CHEMBL3115929) Show SMILES COc1ccc(cc1)C(=O)N\N=C\c1ccc(O)c2ncccc12 Show InChI InChI=1S/C18H15N3O3/c1-24-14-7-4-12(5-8-14)18(23)21-20-11-13-6-9-16(22)17-15(13)3-2-10-19-17/h2-11,22H,1H3,(H,21,23)/b20-11+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+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 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)	BDBM50495806 (CHEMBL3115929) Show SMILES COc1ccc(cc1)C(=O)N\N=C\c1ccc(O)c2ncccc12 Show InChI InChI=1S/C18H15N3O3/c1-24-14-7-4-12(5-8-14)18(23)21-20-11-13-6-9-16(22)17-15(13)3-2-10-19-17/h2-11,22H,1H3,(H,21,23)/b20-11+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20E+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)	BDBM50495806 (CHEMBL3115929) Show SMILES COc1ccc(cc1)C(=O)N\N=C\c1ccc(O)c2ncccc12 Show InChI InChI=1S/C18H15N3O3/c1-24-14-7-4-12(5-8-14)18(23)21-20-11-13-6-9-16(22)17-15(13)3-2-10-19-17/h2-11,22H,1H3,(H,21,23)/b20-11+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10E+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)	BDBM50495806 (CHEMBL3115929) Show SMILES COc1ccc(cc1)C(=O)N\N=C\c1ccc(O)c2ncccc12 Show InChI InChI=1S/C18H15N3O3/c1-24-14-7-4-12(5-8-14)18(23)21-20-11-13-6-9-16(22)17-15(13)3-2-10-19-17/h2-11,22H,1H3,(H,21,23)/b20-11+	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)	BDBM50495806 (CHEMBL3115929) Show SMILES COc1ccc(cc1)C(=O)N\N=C\c1ccc(O)c2ncccc12 Show InChI InChI=1S/C18H15N3O3/c1-24-14-7-4-12(5-8-14)18(23)21-20-11-13-6-9-16(22)17-15(13)3-2-10-19-17/h2-11,22H,1H3,(H,21,23)/b20-11+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+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