BDBM484198 CDD-1777

SMILES: CNCc1cc(cc(OC)c1OCC(=O)N(C)C)-c1cccc2[nH]ncc12

InChI Key: InChIKey=UBXULBPPTHWXTK-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 484198   

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
Replicase polyprotein 1ab (2019-nCoV)	BDBM484198 (CDD-1777) Show SMILES CNCc1cc(cc(OC)c1OCC(=O)N(C)C)-c1cccc2[nH]ncc12 Show InChI InChI=1S/C20H24N4O3/c1-21-10-14-8-13(15-6-5-7-17-16(15)11-22-23-17)9-18(26-4)20(14)27-12-19(25)24(2)3/h5-9,11,21H,10,12H2,1-4H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine					Assay Description To determine the Ki values of active compounds, 25 nM Mpro was mixed with increasing concentrations of compounds (from 4 nM to 4,000 nM with twofold ...				Proc Natl Acad Sci U S A 118: (2021)
					More data for this Ligand-Target Pair