Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1ab' and Ligand = 'BDBM479485'   

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...)	BDBM479485 (ML300-based SC inhibitor 24) Show SMILES O=C(Cn1nnc2ccccc12)N(CC1CCC1)c1ccc(cc1)-c1cccnc1 Show InChI InChI=1S/C24H23N5O/c30-24(17-29-23-9-2-1-8-22(23)26-27-29)28(16-18-5-3-6-18)21-12-10-19(11-13-21)20-7-4-14-25-15-20/h1-2,4,7-15,18H,3,5-6,16-17H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	780	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)	BDBM479485 (ML300-based SC inhibitor 24) Show SMILES O=C(Cn1nnc2ccccc12)N(CC1CCC1)c1ccc(cc1)-c1cccnc1 Show InChI InChI=1S/C24H23N5O/c30-24(17-29-23-9-2-1-8-22(23)26-27-29)28(16-18-5-3-6-18)21-12-10-19(11-13-21)20-7-4-14-25-15-20/h1-2,4,7-15,18H,3,5-6,16-17H2	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	830	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