BDBM31525 Substituted Benzamide Derivative, 29::med.21724, Compound 161

SMILES: Cc1ccc(N)cc1C(=O)NC(C)(C)c1cccc2ccccc12

InChI Key: InChIKey=PDOYWSZZBAEVAH-UHFFFAOYSA-N

Data: 2 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 = 31525   

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))	BDBM31525 (Substituted Benzamide Derivative, 29 | med.21724, ...) Show SMILES Cc1ccc(N)cc1C(=O)NC(C)(C)c1cccc2ccccc12 Show InChI InChI=1S/C21H22N2O/c1-14-11-12-16(22)13-18(14)20(24)23-21(2,3)19-10-6-8-15-7-4-5-9-17(15)19/h4-13H,22H2,1-3H3,(H,23,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				Med Res Rev (2020) Article DOI: 10.1002/med.21724 BindingDB Entry DOI: 10.7270/Q2JS9ST6
					More data for this Ligand-Target Pair
SARS Coronavirus Coronavirus Papain-Like Protease (Human SARS coronavirus (SARS-CoV))	BDBM31525 (Substituted Benzamide Derivative, 29 | med.21724, ...) Show SMILES Cc1ccc(N)cc1C(=O)NC(C)(C)c1cccc2ccccc12 Show InChI InChI=1S/C21H22N2O/c1-14-11-12-16(22)13-18(14)20(24)23-21(2,3)19-10-6-8-15-7-4-5-9-17(15)19/h4-13H,22H2,1-3H3,(H,23,24)	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+4	n/a	n/a	n/a	n/a	7.5	23
Purdue University					Assay Description IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...				J Med Chem 52: 5228-40 (2009) Article DOI: 10.1021/jm900611t BindingDB Entry DOI: 10.7270/Q2P8497Z
					More data for this Ligand-Target Pair				3D Structure (docked)