Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1ab' and Ligand = 'BDBM423463'   

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...)	BDBM423463 (WO2006061714-ID-07) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)NC(C[C@@H]1CCNC1=O)C(C)=O Show InChI InChI=1S/C24H32N4O5/c1-13(2)10-19(23(31)27-18(14(3)29)11-15-8-9-25-22(15)30)28-24(32)20-12-16-17(26-20)6-5-7-21(16)33-4/h5-7,12-13,15,18-19,26H,8-11H2,1-4H3,(H,25,30)(H,27,31)(H,28,32)/t15-,18?,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2005113580	n/a	n/a	2.30E+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...)	BDBM423463 (WO2006061714-ID-07) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)NC(C[C@@H]1CCNC1=O)C(C)=O Show InChI InChI=1S/C24H32N4O5/c1-13(2)10-19(23(31)27-18(14(3)29)11-15-8-9-25-22(15)30)28-24(32)20-12-16-17(26-20)6-5-7-21(16)33-4/h5-7,12-13,15,18-19,26H,8-11H2,1-4H3,(H,25,30)(H,27,31)(H,28,32)/t15-,18?,19-/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	9.15E+4	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