Compile Data Set for Download or QSAR

Found 312 hits with Last Name = 'miao' and Initial = 'k'   

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 (2019-nCoV)	BDBM525189 (N-[(1S)-2-[2-(3-Amino-3-oxo-propyl)-2-(2-chloroace...) Show SMILES CN([C@@H](CC1CCCCC1)C(=O)NN(CCC(N)=O)C(=O)CCl)C(=O)c1cc2ccccc2[nH]1 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	2	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 (2019-nCoV)	BDBM525175 (4-Methoxy-N-[(1S)-1-[[(3-amino-3-oxo-propyl)-(2-ch...) Show SMILES COc1cccc2[nH]c(OC(=O)N[C@@H](CC(C)C)C(=O)NN(CCC(N)=O)C(=O)CCl)cc12 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	2	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 (2019-nCoV)	BDBM525181 (3-[(2-Chloroacetyl)-[[(2S)-2-[[(E)-3-(4-chloro-2-f...) Show SMILES NC(=O)CCN(NC(=O)[C@H](CC1CCCCC1)NC(=O)\C=C\c1ccc(Cl)cc1F)C(=O)CCl 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	2	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 (2019-nCoV)	BDBM525183 (N-[(1S)-2-[2-(3-Amino-3-oxo-propyl)-2-(2-chloroace...) Show SMILES NC(=O)CCN(NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cc2ccccc2[nH]1)C(=O)CCl 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	2	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 (2019-nCoV)	BDBM525165 (Benzyl N-[(1S)-2-[2-(3-amino-3-oxo-propyl)-2-(2-ch...) Show SMILES NC(=O)CCN(NC(=O)[C@H](CC1CCCCC1)NC(=O)OCc1ccccc1)C(=O)[C@H](F)Cl |r| 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	2	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 (2019-nCoV)	BDBM525204 (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 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	2.70	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 (2019-nCoV)	BDBM525211 (WO2022043374, Example 56-B) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC1CCCCC1)C(=O)NN(CCC(N)=O)C(=O)[C@H](F)Cl 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	3	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 (2019-nCoV)	BDBM525199 (N-[(1S)-2-[2-(3-amino-3-oxo-propyl)-2-(2-chloroace...) Show SMILES Cc1cc(no1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NN(CCC(N)=O)C(=O)CCl 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	4	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 (2019-nCoV)	BDBM525208 (WO2022043374, Example 54-A) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)NN(CCC(N)=O)C(=O)[C@@H](F)Cl 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	4	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 (2019-nCoV)	BDBM525217 (WO2022043374, Example 59-B) Show SMILES NC(=O)CCN(NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cc2ccccc2[nH]1)C(=O)[C@H](F)Cl 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	5	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 (2019-nCoV)	BDBM525193 (N-[(1S)-1-[[(3-Amino-3-oxo-propyl)-(2-chloroacetyl...) Show SMILES CC(C)C[C@H](NC(=O)c1nc2ccccc2[nH]1)C(=O)NN(CCC(N)=O)C(=O)CCl 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	5	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 (2019-nCoV)	BDBM525191 (N-[(1S)-1-[[(3-Amino-3-oxo-propyl)-(2-chloro-2-flu...) Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)NN(CCC(N)=O)C(=O)[C@@H](F)Cl 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	5	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 (2019-nCoV)	BDBM525182 (3-[(2-Chloroacetyl)-[[(2S)-2-[[(E)-3-(4-chloro-2-f...) Show SMILES CC(C)C[C@H](NC(=O)\C=C\c1ccc(Cl)cc1F)C(=O)NN(CCC(N)=O)C(=O)CCl 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	5	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 (2019-nCoV)	BDBM525160 (WO2022043374, Example 10) Show SMILES NC(=O)CCN(NC(=O)[C@H](CC1CCCC1)NC(=O)OCc1ccccc1)C(=O)CCl |r| 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	6	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 (2019-nCoV)	BDBM525175 (4-Methoxy-N-[(1S)-1-[[(3-amino-3-oxo-propyl)-(2-ch...) Show SMILES COc1cccc2[nH]c(OC(=O)N[C@@H](CC(C)C)C(=O)NN(CCC(N)=O)C(=O)CCl)cc12 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	6	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 (2019-nCoV)	BDBM525190 (N-[(1S)-1-[[(3-Amino-3-oxo-propyl)-(2-chloroacetyl...) Show SMILES CC(C)C[C@H](N(C)C(=O)c1cc2ccccc2[nH]1)C(=O)NN(CCC(N)=O)C(=O)CCl 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	7	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
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50057000 (6-Chloro-3-hydroxy-2-methyl-1,1-dioxo-1,2-dihydro-...) Show SMILES CN1C(=O)C(C(=O)Nc2ccc(Br)cc2Br)c2cc(Cl)ccc2S1(=O)=O Show InChI InChI=1S/C16H11Br2ClN2O4S/c1-21-16(23)14(10-7-9(19)3-5-13(10)26(21,24)25)15(22)20-12-4-2-8(17)6-11(12)18/h2-7,14H,1H3,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Concentration of drug that causes a 50% decrease in the maximal inhibition of Prostaglandin G/H synthase 2 activity as measured by PGE2 production('+...				J Med Chem 40: 980-9 (1997) Article DOI: 10.1021/jm9607010 BindingDB Entry DOI: 10.7270/Q2WH2P37
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	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 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	7	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 (2019-nCoV)	BDBM525223 (N-[(1S)-1-[[(3-amino-3-oxo-propyl)-[(2S)-2-chloro-...) Show SMILES CC(C)C[C@H](NC(=O)c1nc2ccccc2[nH]1)C(=O)NN(CCC(N)=O)C(=O)[C@H](F)Cl 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	7	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 (2019-nCoV)	BDBM525215 (WO2022043374, Example 58-B) Show SMILES CC(C)C[C@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(=O)NN(CCC(N)=O)C(=O)[C@H](F)Cl 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	7	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 (2019-nCoV)	BDBM525159 (Benzyl N-[(1S)-2-[2-(3-amino-3-oxo-propyl)-2-(2-ch...) Show SMILES NC(=O)CCN(NC(=O)[C@H](CC1CCCCC1)NC(=O)OCc1ccccc1)C(=O)CCl |r| 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	8	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 (2019-nCoV)	BDBM525218 (WO2022043374, Example 60-A) Show SMILES CC(C)C[C@H](NC(=O)c1nc2cc(Cl)ccc2[nH]1)C(=O)NN(CCC(N)=O)C(=O)[C@@H](F)Cl 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	8	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
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50057004 (6-Chloro-3-hydroxy-2-methyl-1,1-dioxo-1,2-dihydro-...) Show SMILES CN1C(=O)C(C(=O)Nc2ccccc2Cl)c2cc(Cl)ccc2S1(=O)=O Show InChI InChI=1S/C16H12Cl2N2O4S/c1-20-16(22)14(15(21)19-12-5-3-2-4-11(12)18)10-8-9(17)6-7-13(10)25(20,23)24/h2-8,14H,1H3,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Concentration of drug that causes a 50% decrease in the maximal inhibition of Prostaglandin G/H synthase 2 activity as measured by PGE2 production('+...				J Med Chem 40: 980-9 (1997) Article DOI: 10.1021/jm9607010 BindingDB Entry DOI: 10.7270/Q2WH2P37
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM525210 (WO2022043374, Example 56-A) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC1CCCCC1)C(=O)NN(CCC(N)=O)C(=O)[C@@H](F)Cl 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	8	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
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50056994 (6-Chloro-3-hydroxy-2-methyl-1,1-dioxo-1,2-dihydro-...) Show SMILES CN1C(=O)C(C(=O)Nc2ccc(Cl)cc2Cl)c2cc(Cl)ccc2S1(=O)=O Show InChI InChI=1S/C16H11Cl3N2O4S/c1-21-16(23)14(10-6-8(17)3-5-13(10)26(21,24)25)15(22)20-12-4-2-9(18)7-11(12)19/h2-7,14H,1H3,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Concentration of drug that causes a 50% decrease in the maximal inhibition of Prostaglandin G/H synthase 2 activity as measured by PGE-2 production				J Med Chem 40: 980-9 (1997) Article DOI: 10.1021/jm9607010 BindingDB Entry DOI: 10.7270/Q2WH2P37
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM525213 (WO2022043374, Example 57-B) Show SMILES CC(C)C[C@H](N(C)C(=O)c1cc2cc(F)ccc2[nH]1)C(=O)NN(CCC(N)=O)C(=O)[C@H](F)Cl 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	10	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 (HCoV-OC43)	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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022043374	n/a	n/a	11	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 (2019-nCoV)	BDBM525225 (N-[(1S)-1-[[(3-amino-3-oxo-propyl)-(2-chloro-2-flu...) Show SMILES CC(C)(C)C[C@H](NC(=O)c1nc2ccccc2[nH]1)C(=O)NN(CCC(N)=O)C(=O)[C@H](F)Cl 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	13	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 (HCoV-229E)	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 KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022043374	n/a	n/a	13	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)	BDBM525242 (WO2022043374, Example 88) Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccncc2[nH]1)C(=O)NN(CCC(N)=O)C(=O)C(F)Cl 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	13	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 (HCoV-OC43)	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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022043374	n/a	n/a	13	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 (2019-nCoV)	BDBM525205 (N-[(1S)-1-[[(3-amino-3-oxo-propyl)-(2-chloroacetyl...) Show SMILES CC(C)C[C@H](NC(=O)c1cc2cnccc2[nH]1)C(=O)NN(CCC(N)=O)C(=O)CCl 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	14	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 (2019-nCoV)	BDBM525198 (N-[(1S)-1-[[(3-Amino-3-oxo-propyl)-(2-chloroacetyl...) Show SMILES COc1cc2cc(nc2c[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)NN(CCC(N)=O)C(=O)CCl 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	14	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 (2019-nCoV)	BDBM525206 (N-[(1S)-1-[[(3-amino-3-oxo-propyl)-[(2S)-2-chloro-...) Show SMILES CC(C)C[C@H](NC(=O)c1cc2c(Cl)cccc2[nH]1)C(=O)NN(CCC(N)=O)C(=O)[C@@H](F)Cl 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	14	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 (2019-nCoV)	BDBM525200 (4-Methoxy-N-[(1S)-1-[[(3-amino-3-oxo-propyl)-(2-ch...) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)NN(CCC(N)=O)C(=O)C(F)Cl 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	15	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 (HCoV-OC43)	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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022043374	n/a	n/a	15	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 (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	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 KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022043374	n/a	n/a	15	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
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
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	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 KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 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
Replicase polyprotein 1ab (2019-nCoV)	BDBM525249 (N-[(1S)-2-[2-[(2R)-2-chloro-2-fluoro-acetyl]-2-[[(...) Show SMILES CC1(C[C@H](NC(=O)c2cc(on2)C(F)(F)F)C(=O)NN(C[C@@H]2CCNC2=O)C(=O)[C@H](F)Cl)CC1 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	17	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 (HCoV-OC43)	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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022043374	n/a	n/a	17	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)	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 KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022043374	n/a	n/a	17	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 (HCoV-OC43)	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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022043374	n/a	n/a	17	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 (2019-nCoV)	BDBM525154 (Benzyl N-[(1S)-1-[[(3-amino-3-oxo-propyl)-(2-chlor...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NN(CCC(N)=O)C(=O)CCl |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	WIPO WO2022043374	n/a	n/a	17	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 (2019-nCoV)	BDBM525169 (Benzyl N-[(1S)-1-[[(2-chloroacetyl)-[(2-oxo-pyrrol...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NN(CC1CCNC1=O)C(=O)CCl |r| 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	17	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 (2019-nCoV)	BDBM525195 (N-[(1S)-1-[[(3-Amino-3-oxo-propyl)-(2-chloroacetyl...) Show SMILES CC(C)C[C@H](NC(=O)c1cc2cccnc2[nH]1)C(=O)NN(CCC(N)=O)C(=O)CCl 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	17	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 (2019-nCoV)	BDBM525209 (WO2022043374, Example 54-B) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)NN(CCC(N)=O)C(=O)[C@H](F)Cl 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	17	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 (2019-nCoV)	BDBM525221 (N-[rac-(1S)-2-[2-(3-amino-3-oxo-propyl)-2-(2-chlor...) Show SMILES NC(=O)CCN(NC(=O)[C@H](CC1CC1)NC(=O)c1cc2ccccc2[nH]1)C(=O)C(F)Cl 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	17	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 (HCoV-OC43)	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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022043374	n/a	n/a	19	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 (2019-nCoV)	BDBM525243 (5-methoxy-N-[rac-(1S)-1-[[(3-amino-3-oxo-propyl)-(...) Show SMILES COc1cc2cc([nH]c2cn1)C(=O)N[C@@H](CC(C)C)C(=O)NN(CCC(N)=O)C(=O)C(F)Cl 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	19	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

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