Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 10286   

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
Orf1a protein (MERS-CoV)	BDBM525229 (N-[(1S)-1-(1-bicyclo[1.1.1]pentanylmethyl)-2-[2-[(...) Show SMILES Cc1cc(no1)C(=O)N[C@@H](CC12CC(C1)C2)C(=O)NN(C[C@H]1CCNC1=O)C(=O)[C@H](F)Cl Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022043374	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the MERS-CoV 3CLpro assay, 2 μL of 0.02 μM recombinant MERS-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
Orf1a protein (MERS-CoV)	BDBM525176 (N-[(1S)-1-[[(3-amino-3-oxo-propyl)-(2-chloroacetyl...) Show SMILES CC(C)C[C@H](NC(=O)Oc1cc2ccccc2[nH]1)C(=O)NN(CCC(N)=O)C(=O)CCl Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022043374	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the MERS-CoV 3CLpro assay, 2 μL of 0.02 μM recombinant MERS-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
Orf1a protein (MERS-CoV)	BDBM525228 (N-[(1S)-2-[2-[(2R)-2-chloro-2-fluoro-acetyl]-2-[[(...) Show SMILES Cc1cc(no1)C(=O)N[C@@H](CC1(C)CC1)C(=O)NN(C[C@H]1CCNC1=O)C(=O)C(F)Cl Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022043374	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the MERS-CoV 3CLpro assay, 2 μL of 0.02 μM recombinant MERS-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
Orf1a protein (MERS-CoV)	BDBM525203 (N-[(1S)-1-[[(2-Chloroacetyl)-[(2-oxo-pyrrolidin-3-...) Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)NN(C[C@H]1CCNC1=O)C(=O)CCl Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022043374	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the MERS-CoV 3CLpro assay, 2 μL of 0.02 μM recombinant MERS-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
Orf1a protein (MERS-CoV)	BDBM525251 (N-[(1S)-2-[2-[(2R)-2-chloro-2-fluoro-acetyl]-2-[[(...) Show SMILES FC(F)c1cc(no1)C(=O)N[C@@H](CC12CC(C1)C2)C(=O)NN(C[C@@H]1CCNC1=O)C(=O)[C@H](F)Cl Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022043374	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the MERS-CoV 3CLpro assay, 2 μL of 0.02 μM recombinant MERS-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
Orf1a protein (MERS-CoV)	BDBM525230 (WO2022043374, Example 72) Show SMILES Cc1cc(no1)C(=O)N[C@@H](CC1CCC1)C(=O)NN(C[C@H]1CCNC1=O)C(=O)[C@H](F)Cl Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022043374	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the MERS-CoV 3CLpro assay, 2 μL of 0.02 μM recombinant MERS-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
Orf1a protein (MERS-CoV)	BDBM525253 (WO2022043374, Example 73) Show SMILES Cc1cc(no1)C(=O)N[C@@H](CC1CCCC1)C(=O)NN(CCC(N)=O)C(=O)C(F)Cl Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022043374	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the MERS-CoV 3CLpro assay, 2 μL of 0.02 μM recombinant MERS-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
Orf1a protein (MERS-CoV)	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 UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022043374	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the MERS-CoV 3CLpro assay, 2 μL of 0.02 μM recombinant MERS-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
Orf1a protein (MERS-CoV)	BDBM525252 (N-[(1S)-1-[[[(2R)-2-chloro-2-fluoro-acetyl]-[[(3S)...) Show SMILES CC(C)CC[C@H](NC(=O)c1cc(C)on1)C(=O)NN(C[C@@H]1CCNC1=O)C(=O)[C@H](F)Cl Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022043374	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the MERS-CoV 3CLpro assay, 2 μL of 0.02 μM recombinant MERS-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