BDBM479494 ML300-based SC inhibitor 33

SMILES: Cc1cc(Cl)cc(CN(C(=O)Cn2nnc3ccccc23)c2ccc(cc2)-c2cccnc2)c1

InChI Key: InChIKey=YYPWVCNJTBELIN-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 = 479494   

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)	BDBM479494 (ML300-based SC inhibitor 33) Show SMILES Cc1cc(Cl)cc(CN(C(=O)Cn2nnc3ccccc23)c2ccc(cc2)-c2cccnc2)c1 Show InChI InChI=1S/C27H22ClN5O/c1-19-13-20(15-23(28)14-19)17-32(24-10-8-21(9-11-24)22-5-4-12-29-16-22)27(34)18-33-26-7-3-2-6-25(26)30-31-33/h2-16H,17-18H2,1H3	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	312	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...)	BDBM479494 (ML300-based SC inhibitor 33) Show SMILES Cc1cc(Cl)cc(CN(C(=O)Cn2nnc3ccccc23)c2ccc(cc2)-c2cccnc2)c1 Show InChI InChI=1S/C27H22ClN5O/c1-19-13-20(15-23(28)14-19)17-32(24-10-8-21(9-11-24)22-5-4-12-29-16-22)27(34)18-33-26-7-3-2-6-25(26)30-31-33/h2-16H,17-18H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	418	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