BDBM50208941 5-chloropyridin-3-yl benzo[b]thiophene-2-carboxylate::5-chloropyridin-3-yl-benzo-(b)-thiophene-2-carboxylate::CHEMBL222893

SMILES: Clc1cncc(OC(=O)c2cc3ccccc3s2)c1

InChI Key: InChIKey=MNUHXGJUYTWVLU-UHFFFAOYSA-N

Data: 1 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 3 hits for monomerid = 50208941   

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
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM50208941 (5-chloropyridin-3-yl benzo[b]thiophene-2-carboxyla...) Show SMILES Clc1cncc(OC(=O)c2cc3ccccc3s2)c1 Show InChI InChI=1S/C14H8ClNO2S/c15-10-6-11(8-16-7-10)18-14(17)13-5-9-3-1-2-4-12(9)19-13/h1-8H	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease				J Med Chem 50: 1850-64 (2007) Article DOI: 10.1021/jm061425k BindingDB Entry DOI: 10.7270/Q2RN37HR
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50208941 (5-chloropyridin-3-yl benzo[b]thiophene-2-carboxyla...) Show SMILES Clc1cncc(OC(=O)c2cc3ccccc3s2)c1 Show InChI InChI=1S/C14H8ClNO2S/c15-10-6-11(8-16-7-10)18-14(17)13-5-9-3-1-2-4-12(9)19-13/h1-8H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem		n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50208941 (5-chloropyridin-3-yl benzo[b]thiophene-2-carboxyla...) Show SMILES Clc1cncc(OC(=O)c2cc3ccccc3s2)c1 Show InChI InChI=1S/C14H8ClNO2S/c15-10-6-11(8-16-7-10)18-14(17)13-5-9-3-1-2-4-12(9)19-13/h1-8H	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem		n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair