Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1ab' and Ligand = 'BDBM423415'   

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...)	BDBM423415 (WO2005113580-Ex-10) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CCC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO Show InChI InChI=1S/C25H34N4O6/c1-14(2)7-8-18(24(33)29-19(21(31)13-30)11-15-9-10-26-23(15)32)28-25(34)20-12-16-17(27-20)5-4-6-22(16)35-3/h4-6,12,14-15,18-19,27,30H,7-11,13H2,1-3H3,(H,26,32)(H,28,34)(H,29,33)/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	34	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...)	BDBM423415 (WO2005113580-Ex-10) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CCC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO Show InChI InChI=1S/C25H34N4O6/c1-14(2)7-8-18(24(33)29-19(21(31)13-30)11-15-9-10-26-23(15)32)28-25(34)20-12-16-17(27-20)5-4-6-22(16)35-3/h4-6,12,14-15,18-19,27,30H,7-11,13H2,1-3H3,(H,26,32)(H,28,34)(H,29,33)/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	3.30E+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