BDBM479486 ML300-based SC inhibitor 25

SMILES: O=C(Cn1nnc2ccccc12)N(CC1CCCC1)c1ccc(cc1)-c1cccnc1

InChI Key: InChIKey=MUXXBMHXURKPHX-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 = 479486   

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)	BDBM479486 (ML300-based SC inhibitor 25) Show SMILES O=C(Cn1nnc2ccccc12)N(CC1CCCC1)c1ccc(cc1)-c1cccnc1 Show InChI InChI=1S/C25H25N5O/c31-25(18-30-24-10-4-3-9-23(24)27-28-30)29(17-19-6-1-2-7-19)22-13-11-20(12-14-22)21-8-5-15-26-16-21/h3-5,8-16,19H,1-2,6-7,17-18H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cleveland Clinic					Assay Description The protease activity and subsequent 10-point IC50 curves were spectroscopically determined using a scaled down, end point assay adapted from a previ...				J Med Chem 64: (2021)
					More data for this Ligand-Target Pair
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM479486 (ML300-based SC inhibitor 25) Show SMILES O=C(Cn1nnc2ccccc12)N(CC1CCCC1)c1ccc(cc1)-c1cccnc1 Show InChI InChI=1S/C25H25N5O/c31-25(18-30-24-10-4-3-9-23(24)27-28-30)29(17-19-6-1-2-7-19)22-13-11-20(12-14-22)21-8-5-15-26-16-21/h3-5,8-16,19H,1-2,6-7,17-18H2	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cleveland Clinic					Assay Description The protease activity and subsequent 10-point IC50 curves were spectroscopically determined using a scaled down, end point assay adapted from a previ...				J Med Chem 64: (2021)
					More data for this Ligand-Target Pair