BDBM479499 ML300-based SC inhibitor 38

SMILES: COc1cc(ccc1N(Cc1cccc(Cl)c1)C(=O)Cn1nnc2ccccc12)-c1cn[nH]c1

InChI Key: InChIKey=ZJWZLVITQIYDKL-UHFFFAOYSA-N

Data: 2 IC50  2 EC50

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 4 hits for monomerid = 479499   

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
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM479499 (ML300-based SC inhibitor 38) Show SMILES COc1cc(ccc1N(Cc1cccc(Cl)c1)C(=O)Cn1nnc2ccccc12)-c1cn[nH]c1 Show InChI InChI=1S/C25H21ClN6O2/c1-34-24-12-18(19-13-27-28-14-19)9-10-23(24)31(15-17-5-4-6-20(26)11-17)25(33)16-32-22-8-3-2-7-21(22)29-30-32/h2-14H,15-16H2,1H3,(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	208	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
Replicase polyprotein 1ab (2019-nCoV)	BDBM479499 (ML300-based SC inhibitor 38) Show SMILES COc1cc(ccc1N(Cc1cccc(Cl)c1)C(=O)Cn1nnc2ccccc12)-c1cn[nH]c1 Show InChI InChI=1S/C25H21ClN6O2/c1-34-24-12-18(19-13-27-28-14-19)9-10-23(24)31(15-17-5-4-6-20(26)11-17)25(33)16-32-22-8-3-2-7-21(22)29-30-32/h2-14H,15-16H2,1H3,(H,27,28)	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	n/a	n/a	2.01E+3	n/a	n/a	n/a	n/a
Cleveland Clinic					Assay Description Confluent monolayers of Vero E6 ACE2 cells in 12-well plates were washed once with DMEM and infected with approximately 50 plaque forming units (PFUs...				J Med Chem 64: (2021)
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM479499 (ML300-based SC inhibitor 38) Show SMILES COc1cc(ccc1N(Cc1cccc(Cl)c1)C(=O)Cn1nnc2ccccc12)-c1cn[nH]c1 Show InChI InChI=1S/C25H21ClN6O2/c1-34-24-12-18(19-13-27-28-14-19)9-10-23(24)31(15-17-5-4-6-20(26)11-17)25(33)16-32-22-8-3-2-7-21(22)29-30-32/h2-14H,15-16H2,1H3,(H,27,28)	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	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a
Cleveland Clinic					Assay Description Briefly, Vero E6 ACE2 cells were cultured in 96-well flat-bottom plates at a density of 2 × 104 cells per well. Following infection of the cells with...				J Med Chem 64: (2021)
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM479499 (ML300-based SC inhibitor 38) Show SMILES COc1cc(ccc1N(Cc1cccc(Cl)c1)C(=O)Cn1nnc2ccccc12)-c1cn[nH]c1 Show InChI InChI=1S/C25H21ClN6O2/c1-34-24-12-18(19-13-27-28-14-19)9-10-23(24)31(15-17-5-4-6-20(26)11-17)25(33)16-32-22-8-3-2-7-21(22)29-30-32/h2-14H,15-16H2,1H3,(H,27,28)	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	197	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