BDBM50167308 5-(5-Iodo-2,3-dioxo-2,3-dihydro-indol-1-ylmethyl)-thiophene-2-carboxylic acid (4-chloro-phenyl)-amide::CHEMBL191575

SMILES: Clc1ccc(NC(=O)c2ccc(CN3C(=O)C(=O)c4cc(I)ccc34)s2)cc1

InChI Key: InChIKey=QLHBUHQTCJSYDO-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 2 hits for monomerid = 50167308   

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
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50167308 (5-(5-Iodo-2,3-dioxo-2,3-dihydro-indol-1-ylmethyl)-...) Show SMILES Clc1ccc(NC(=O)c2ccc(CN3C(=O)C(=O)c4cc(I)ccc34)s2)cc1 Show InChI InChI=1S/C20H12ClIN2O3S/c21-11-1-4-13(5-2-11)23-19(26)17-8-6-14(28-17)10-24-16-7-3-12(22)9-15(16)18(25)20(24)27/h1-9H,10H2,(H,23,26)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM50167308 (5-(5-Iodo-2,3-dioxo-2,3-dihydro-indol-1-ylmethyl)-...) Show SMILES Clc1ccc(NC(=O)c2ccc(CN3C(=O)C(=O)c4cc(I)ccc34)s2)cc1 Show InChI InChI=1S/C20H12ClIN2O3S/c21-11-1-4-13(5-2-11)23-19(26)17-8-6-14(28-17)10-24-16-7-3-12(22)9-15(16)18(25)20(24)27/h1-9H,10H2,(H,23,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description In vitro inhibitory concentration against SARS coronavirus main protease (SARS CoV 3C-like protease)				Bioorg Med Chem Lett 15: 3058-62 (2005) Article DOI: 10.1016/j.bmcl.2005.04.027 BindingDB Entry DOI: 10.7270/Q2H131JB
					More data for this Ligand-Target Pair