Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1ab' and Ligand = 'BDBM496146'   

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 (2019-nCoV)	BDBM496146 (CVD-0013693 | MAT-POS-53907a1c-3) Show SMILES Clc1cc(OC2CC(=O)N2)cc(c1)N(CCC1CCCCC1)C(=O)Nc1cncc2ccccc12 Show InChI InChI=1S/C27H29ClN4O3/c28-20-12-21(14-22(13-20)35-26-15-25(33)31-26)32(11-10-18-6-2-1-3-7-18)27(34)30-24-17-29-16-19-8-4-5-9-23(19)24/h4-5,8-9,12-14,16-18,26H,1-3,6-7,10-11,15H2,(H,30,34)(H,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
Israel Institution of Biological Research					Assay Description Compounds were seeded into assay-ready plates (Greiner 384 low volume, cat 784900) using an Echo 555 acoustic dispenser, and DMSO was back-filled for...				bioRxiv 2021: (2021) BindingDB Entry DOI: 10.7270/Q2MS3WV7
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM496146 (CVD-0013693 | MAT-POS-53907a1c-3) Show SMILES Clc1cc(OC2CC(=O)N2)cc(c1)N(CCC1CCCCC1)C(=O)Nc1cncc2ccccc12 Show InChI InChI=1S/C27H29ClN4O3/c28-20-12-21(14-22(13-20)35-26-15-25(33)31-26)32(11-10-18-6-2-1-3-7-18)27(34)30-24-17-29-16-19-8-4-5-9-23(19)24/h4-5,8-9,12-14,16-18,26H,1-3,6-7,10-11,15H2,(H,30,34)(H,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM496146 (CVD-0013693 | MAT-POS-53907a1c-3) Show SMILES Clc1cc(OC2CC(=O)N2)cc(c1)N(CCC1CCCCC1)C(=O)Nc1cncc2ccccc12 Show InChI InChI=1S/C27H29ClN4O3/c28-20-12-21(14-22(13-20)35-26-15-25(33)31-26)32(11-10-18-6-2-1-3-7-18)27(34)30-24-17-29-16-19-8-4-5-9-23(19)24/h4-5,8-9,12-14,16-18,26H,1-3,6-7,10-11,15H2,(H,30,34)(H,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Israel Institution of Biological Research					Assay Description The assay was performed according to the published procedure. Briefly, compounds were seeded into assay-ready plates (Greiner 384PP, cat# 781280) usi...				bioRxiv 2021: (2021) BindingDB Entry DOI: 10.7270/Q2MS3WV7
					More data for this Ligand-Target Pair