Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1ab' and Ligand = 'BDBM423420'   

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...)	BDBM423420 (WO2005113580-Ex-16 | cmdc.202100576, 24b) Show SMILES CC(C)(C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO Show InChI InChI=1S/C24H32N4O5/c1-24(2,3)12-19(28-22(32)18-10-14-6-4-5-7-16(14)26-18)23(33)27-17(20(30)13-29)11-15-8-9-25-21(15)31/h4-7,10,15,17,19,26,29H,8-9,11-13H2,1-3H3,(H,25,31)(H,27,33)(H,28,32)/t15-,17-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2005113580	n/a	n/a	20	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...)	BDBM423420 (WO2005113580-Ex-16 | cmdc.202100576, 24b) Show SMILES CC(C)(C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO Show InChI InChI=1S/C24H32N4O5/c1-24(2,3)12-19(28-22(32)18-10-14-6-4-5-7-16(14)26-18)23(33)27-17(20(30)13-29)11-15-8-9-25-21(15)31/h4-7,10,15,17,19,26,29H,8-9,11-13H2,1-3H3,(H,25,31)(H,27,33)(H,28,32)/t15-,17-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM423420 (WO2005113580-Ex-16 | cmdc.202100576, 24b) Show SMILES CC(C)(C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO Show InChI InChI=1S/C24H32N4O5/c1-24(2,3)12-19(28-22(32)18-10-14-6-4-5-7-16(14)26-18)23(33)27-17(20(30)13-29)11-15-8-9-25-21(15)31/h4-7,10,15,17,19,26,29H,8-9,11-13H2,1-3H3,(H,25,31)(H,27,33)(H,28,32)/t15-,17-,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	1.70E+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