Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1ab' and Ligand = 'BDBM423432'   

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...)	BDBM423432 (WO2005113580-Ex-30) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COCc1ccccc1 Show InChI InChI=1S/C32H40N4O6/c1-32(2,3)17-26(36-30(39)25-16-22-23(34-25)11-8-12-28(22)41-4)31(40)35-24(15-21-13-14-33-29(21)38)27(37)19-42-18-20-9-6-5-7-10-20/h5-12,16,21,24,26,34H,13-15,17-19H2,1-4H3,(H,33,38)(H,35,40)(H,36,39)/t21-,24-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2005113580	n/a	n/a	32	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...)	BDBM423432 (WO2005113580-Ex-30) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COCc1ccccc1 Show InChI InChI=1S/C32H40N4O6/c1-32(2,3)17-26(36-30(39)25-16-22-23(34-25)11-8-12-28(22)41-4)31(40)35-24(15-21-13-14-33-29(21)38)27(37)19-42-18-20-9-6-5-7-10-20/h5-12,16,21,24,26,34H,13-15,17-19H2,1-4H3,(H,33,38)(H,35,40)(H,36,39)/t21-,24-,26-/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	4.10E+3	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