Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1ab' and Ligand = 'BDBM479495'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM479495 (ML300-based SC inhibitor 34) Show SMILES Clc1cncc(CN(C(=O)Cn2nnc3ccccc23)c2ccc(cc2)-c2cccnc2)c1 Show InChI InChI=1S/C25H19ClN6O/c26-21-12-18(13-28-15-21)16-31(22-9-7-19(8-10-22)20-4-3-11-27-14-20)25(33)17-32-24-6-2-1-5-23(24)29-30-32/h1-15H,16-17H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	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) Article DOI: 10.1021/acs.jmedchem.1c00598 BindingDB Entry DOI: 10.7270/Q2NV9NCB
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM479495 (ML300-based SC inhibitor 34) Show SMILES Clc1cncc(CN(C(=O)Cn2nnc3ccccc23)c2ccc(cc2)-c2cccnc2)c1 Show InChI InChI=1S/C25H19ClN6O/c26-21-12-18(13-28-15-21)16-31(22-9-7-19(8-10-22)20-4-3-11-27-14-20)25(33)17-32-24-6-2-1-5-23(24)29-30-32/h1-15H,16-17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	540	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) Article DOI: 10.1021/acs.jmedchem.1c00598 BindingDB Entry DOI: 10.7270/Q2NV9NCB
					More data for this Ligand-Target Pair