BDBM50007794 CHEMBL3233822

SMILES: COc1cc(CNC(=O)C2CCN(CC2)[C@H](C)c2cccc3ccccc23)ccn1

InChI Key: InChIKey=MMIABLSMKGWQKD-GOSISDBHSA-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 = 50007794   

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 1a (Human coronavirus NL63)	BDBM50007794 (CHEMBL3233822) Show SMILES COc1cc(CNC(=O)C2CCN(CC2)[C@H](C)c2cccc3ccccc23)ccn1 |r| Show InChI InChI=1S/C25H29N3O2/c1-18(22-9-5-7-20-6-3-4-8-23(20)22)28-14-11-21(12-15-28)25(29)27-17-19-10-13-26-24(16-19)30-2/h3-10,13,16,18,21H,11-12,14-15,17H2,1-2H3,(H,27,29)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human coronavirus NL63 PLP2 (amino acids 1565 to 1894) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction of AMC rele...				J Med Chem 57: 2393-412 (2014) Article DOI: 10.1021/jm401712t BindingDB Entry DOI: 10.7270/Q2KK9DBM
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