Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1ab' and Ligand = 'BDBM423424'   

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...)	BDBM423424 (WO2005113580-Ex-21) Show SMILES COCC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)(C)C)NC(=O)[C@H]1CCCO1 Show InChI InChI=1S/C21H35N3O6/c1-21(2,3)11-15(24-20(28)17-6-5-9-30-17)19(27)23-14(16(25)12-29-4)10-13-7-8-22-18(13)26/h13-15,17H,5-12H2,1-4H3,(H,22,26)(H,23,27)(H,24,28)/t13-,14-,15-,17+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2005113580	n/a	n/a	1.08E+3	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 (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM423424 (WO2005113580-Ex-21) Show SMILES COCC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)(C)C)NC(=O)[C@H]1CCCO1 Show InChI InChI=1S/C21H35N3O6/c1-21(2,3)11-15(24-20(28)17-6-5-9-30-17)19(27)23-14(16(25)12-29-4)10-13-7-8-22-18(13)26/h13-15,17H,5-12H2,1-4H3,(H,22,26)(H,23,27)(H,24,28)/t13-,14-,15-,17+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2005113580	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Pfizer Inc.					Assay Description Protection from SARS Infection: Neutral Red Endpoint The ability of compounds to protect cells against infection by the SARS coronavirus is measured ...				WIPO (2005) BindingDB Entry DOI: 10.7270/Q2PV6NRF
					More data for this Ligand-Target Pair