BDBM495470 MAT-POS-96f51285-3

SMILES: COc1ccc2cncc(NC(=O)C3CCOc4cc(F)c(Cl)cc34)c2c1

InChI Key: InChIKey=KZEBYUBBYZGMBN-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 1 hit for monomerid = 495470   

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)	BDBM495470 (MAT-POS-96f51285-3) Show SMILES COc1ccc2cncc(NC(=O)C3CCOc4cc(F)c(Cl)cc34)c2c1 Show InChI InChI=1S/C20H16ClFN2O3/c1-26-12-3-2-11-9-23-10-18(14(11)6-12)24-20(25)13-4-5-27-19-8-17(22)16(21)7-15(13)19/h2-3,6-10,13H,4-5H2,1H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
Israel Institution of Biological Research					Assay Description Compounds were seeded into assay-ready plates (Greiner 384 low volume, cat 784900) using an Echo 555 acoustic dispenser, and DMSO was back-filled for...				bioRxiv 2021: (2021)
					More data for this Ligand-Target Pair