Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1ab' and Ligand = 'BDBM525250'   

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 (HCoV-OC43)	BDBM525250 (N-[(1S)-1-(1-bicyclo[1.1.1]pentanylmethyl)-2-[2-[(...) Show SMILES F[C@H](Cl)C(=O)N(C[C@@H]1CCNC1=O)NC(=O)[C@H](CC12CC(C1)C2)NC(=O)c1cc(on1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022043374	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the HCoV-OC433CLpro assay, 2 μL of 0.02 μM recombinant HCoV-OC433CL protease were mixed with serial dilutions of each comp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SF30BV
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (HCoV-229E)	BDBM525250 (N-[(1S)-1-(1-bicyclo[1.1.1]pentanylmethyl)-2-[2-[(...) Show SMILES F[C@H](Cl)C(=O)N(C[C@@H]1CCNC1=O)NC(=O)[C@H](CC12CC(C1)C2)NC(=O)c1cc(on1)C(F)(F)F Show InChI	PDB MMDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022043374	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the HCoV-229E 3CLpro assay, 2 μL of 0.02 μM recombinant HCoV-229E 3CL protease were mixed with serial dilutions of each com...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SF30BV
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM525250 (N-[(1S)-1-(1-bicyclo[1.1.1]pentanylmethyl)-2-[2-[(...) Show SMILES F[C@H](Cl)C(=O)N(C[C@@H]1CCNC1=O)NC(=O)[C@H](CC12CC(C1)C2)NC(=O)c1cc(on1)C(F)(F)F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022043374	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the SARS-CoV-2 3CLpro assay, 2 μL of 0.02 μM recombinant SARS-CoV-2 3CL protease were mixed with serial dilutions of each c...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SF30BV
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM525250 (N-[(1S)-1-(1-bicyclo[1.1.1]pentanylmethyl)-2-[2-[(...) Show SMILES F[C@H](Cl)C(=O)N(C[C@@H]1CCNC1=O)NC(=O)[C@H](CC12CC(C1)C2)NC(=O)c1cc(on1)C(F)(F)F Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022043374	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the SARS-CoV 3CLpro assay, 2 μL of 0.02 μM recombinant SARS-CoV 3CL protease were mixed with serial dilutions of each compo...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SF30BV
					More data for this Ligand-Target Pair