Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1ab' and Ligand = 'BDBM423422'   

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...)	BDBM423422 (WO2005113580-Ex-18) Show SMILES CCOCC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)(C)C)NC(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C26H36N4O5/c1-5-35-15-22(31)19(13-17-10-11-27-23(17)32)29-25(34)21(14-26(2,3)4)30-24(33)20-12-16-8-6-7-9-18(16)28-20/h6-9,12,17,19,21,28H,5,10-11,13-15H2,1-4H3,(H,27,32)(H,29,34)(H,30,33)/t17-,19-,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2005113580	n/a	n/a	112	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...)	BDBM423422 (WO2005113580-Ex-18) Show SMILES CCOCC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)(C)C)NC(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C26H36N4O5/c1-5-35-15-22(31)19(13-17-10-11-27-23(17)32)29-25(34)21(14-26(2,3)4)30-24(33)20-12-16-8-6-7-9-18(16)28-20/h6-9,12,17,19,21,28H,5,10-11,13-15H2,1-4H3,(H,27,32)(H,29,34)(H,30,33)/t17-,19-,21-/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	2.00E+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