Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1ab' and Ligand = 'BDBM479476'   

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...)	BDBM479476 (ML300-based SC inhibitor 15 | acs.jmedchem.1c00409...) Show SMILES O=C(Cn1nnc2ccccc12)N(Cc1ccsc1)c1ccc(cc1)-c1ccncc1 Show InChI InChI=1S/C24H19N5OS/c30-24(16-29-23-4-2-1-3-22(23)26-27-29)28(15-18-11-14-31-17-18)21-7-5-19(6-8-21)20-9-12-25-13-10-20/h1-14,17H,15-16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.57E+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) Article DOI: 10.1021/acs.jmedchem.1c00598 BindingDB Entry DOI: 10.7270/Q2NV9NCB
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM479476 (ML300-based SC inhibitor 15 | acs.jmedchem.1c00409...) Show SMILES O=C(Cn1nnc2ccccc12)N(Cc1ccsc1)c1ccc(cc1)-c1ccncc1 Show InChI InChI=1S/C24H19N5OS/c30-24(16-29-23-4-2-1-3-22(23)26-27-29)28(15-18-11-14-31-17-18)21-7-5-19(6-8-21)20-9-12-25-13-10-20/h1-14,17H,15-16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description This is a review article. Please point to the original journal.				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00409 BindingDB Entry DOI: 10.7270/Q2J1069F
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM479476 (ML300-based SC inhibitor 15 | acs.jmedchem.1c00409...) Show SMILES O=C(Cn1nnc2ccccc12)N(Cc1ccsc1)c1ccc(cc1)-c1ccncc1 Show InChI InChI=1S/C24H19N5OS/c30-24(16-29-23-4-2-1-3-22(23)26-27-29)28(15-18-11-14-31-17-18)21-7-5-19(6-8-21)20-9-12-25-13-10-20/h1-14,17H,15-16H2	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	2.09E+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) Article DOI: 10.1021/acs.jmedchem.1c00598 BindingDB Entry DOI: 10.7270/Q2NV9NCB
					More data for this Ligand-Target Pair