Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1ab' and Ligand = 'BDBM423468'   

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...)	BDBM423468 (WO2006061714, P39.3 | WO2006061714-ID-13) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@H](CO)C[C@@H]1CCNC1=O Show InChI InChI=1S/C20H36N4O5/c1-11(2)8-16(24-20(29)17(12(3)4)22-13(5)26)19(28)23-15(10-25)9-14-6-7-21-18(14)27/h11-12,14-17,25H,6-10H2,1-5H3,(H,21,27)(H,22,26)(H,23,28)(H,24,29)/t14-,15-,16-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2005113580	n/a	n/a	9.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc.					Assay Description The SARS 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA- SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK- (DABCYL)-O...				WIPO (2005) BindingDB Entry DOI: 10.7270/Q2PV6NRF
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (SARS coronavirus Urbani)	BDBM423468 (WO2006061714, P39.3 | WO2006061714-ID-13) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@H](CO)C[C@@H]1CCNC1=O Show InChI InChI=1S/C20H36N4O5/c1-11(2)8-16(24-20(29)17(12(3)4)22-13(5)26)19(28)23-15(10-25)9-14-6-7-21-18(14)27/h11-12,14-17,25H,6-10H2,1-5H3,(H,21,27)(H,22,26)(H,23,28)(H,24,29)/t14-,15-,16-,17-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2006061714	n/a	n/a	9.70E+7	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc.					Assay Description Proteolytic activity of Coronavirus 3C protease is measured using a continuous fluorescence resonance energy transfer assay. The SARS 3CI_pro FRET as...				WIPO (2006) BindingDB Entry DOI: 10.7270/Q22V2K5W
					More data for this Ligand-Target Pair