Compile Data Set for Download or QSAR

Found 200 hits with Last Name = 'lin' and Initial = 'gf'   

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
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50238867 (CHEMBL4083249) Show SMILES C[C@@H](c1ccc(F)cc1)n1nnc2cnc3ccc(cc3c12)-c1ccc2ocnc2c1 |r| Show InChI InChI=1S/C24H16FN5O/c1-14(15-2-6-18(25)7-3-15)30-24-19-10-16(4-8-20(19)26-12-22(24)28-29-30)17-5-9-23-21(11-17)27-13-31-23/h2-14H,1H3/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center for Biotherapy Curated by ChEMBL					Assay Description Inhibition of recombinant human CLK1 expressed in insect cells using ERMRPRKRQGSVRRRV peptide as substrate after 40 mins in presence of [gamma-33P]-A...				J Med Chem 60: 6337-6352 (2017) Article DOI: 10.1021/acs.jmedchem.7b00665 BindingDB Entry DOI: 10.7270/Q2ZW1P55
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50238867 (CHEMBL4083249) Show SMILES C[C@@H](c1ccc(F)cc1)n1nnc2cnc3ccc(cc3c12)-c1ccc2ocnc2c1 |r| Show InChI InChI=1S/C24H16FN5O/c1-14(15-2-6-18(25)7-3-15)30-24-19-10-16(4-8-20(19)26-12-22(24)28-29-30)17-5-9-23-21(11-17)27-13-31-23/h2-14H,1H3/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center for Biotherapy Curated by ChEMBL					Assay Description Inhibition of recombinant human CLK1 expressed in insect cells using ERMRPRKRQGSVRRRV peptide as substrate after 40 mins in presence of [gamma-33P]-A...				J Med Chem 60: 6337-6352 (2017) Article DOI: 10.1021/acs.jmedchem.7b00665 BindingDB Entry DOI: 10.7270/Q2ZW1P55
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50238882 (CHEMBL4094600) Show SMILES C[C@@H](c1ccccc1)n1nnc2cnc3ccc(cc3c12)-c1ccnc(C)c1 |r| Show InChI InChI=1S/C23H19N5/c1-15-12-19(10-11-24-15)18-8-9-21-20(13-18)23-22(14-25-21)26-27-28(23)16(2)17-6-4-3-5-7-17/h3-14,16H,1-2H3/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center for Biotherapy Curated by ChEMBL					Assay Description Inhibition of recombinant human CLK1 expressed in insect cells using ERMRPRKRQGSVRRRV peptide as substrate after 40 mins in presence of [gamma-33P]-A...				J Med Chem 60: 6337-6352 (2017) Article DOI: 10.1021/acs.jmedchem.7b00665 BindingDB Entry DOI: 10.7270/Q2ZW1P55
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50238882 (CHEMBL4094600) Show SMILES C[C@@H](c1ccccc1)n1nnc2cnc3ccc(cc3c12)-c1ccnc(C)c1 |r| Show InChI InChI=1S/C23H19N5/c1-15-12-19(10-11-24-15)18-8-9-21-20(13-18)23-22(14-25-21)26-27-28(23)16(2)17-6-4-3-5-7-17/h3-14,16H,1-2H3/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center for Biotherapy Curated by ChEMBL					Assay Description Inhibition of recombinant human CLK1 expressed in insect cells using ERMRPRKRQGSVRRRV peptide as substrate after 40 mins in presence of [gamma-33P]-A...				J Med Chem 60: 6337-6352 (2017) Article DOI: 10.1021/acs.jmedchem.7b00665 BindingDB Entry DOI: 10.7270/Q2ZW1P55
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50238893 (CHEMBL4096379) Show SMILES Cc1cc(ccn1)-c1ccc2ncc3nnn(Cc4ccc(F)cc4)c3c2c1 Show InChI InChI=1S/C22H16FN5/c1-14-10-17(8-9-24-14)16-4-7-20-19(11-16)22-21(12-25-20)26-27-28(22)13-15-2-5-18(23)6-3-15/h2-12H,13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
Sichuan University and Collaborative Innovation Center for Biotherapy Curated by ChEMBL					Assay Description Inhibition of recombinant human CLK1 expressed in insect cells using ERMRPRKRQGSVRRRV peptide as substrate after 40 mins in presence of [gamma-33P]-A...				J Med Chem 60: 6337-6352 (2017) Article DOI: 10.1021/acs.jmedchem.7b00665 BindingDB Entry DOI: 10.7270/Q2ZW1P55
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50238893 (CHEMBL4096379) Show SMILES Cc1cc(ccn1)-c1ccc2ncc3nnn(Cc4ccc(F)cc4)c3c2c1 Show InChI InChI=1S/C22H16FN5/c1-14-10-17(8-9-24-14)16-4-7-20-19(11-16)22-21(12-25-20)26-27-28(22)13-15-2-5-18(23)6-3-15/h2-12H,13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
Sichuan University and Collaborative Innovation Center for Biotherapy Curated by ChEMBL					Assay Description Inhibition of recombinant human CLK1 expressed in insect cells using ERMRPRKRQGSVRRRV peptide as substrate after 40 mins in presence of [gamma-33P]-A...				J Med Chem 60: 6337-6352 (2017) Article DOI: 10.1021/acs.jmedchem.7b00665 BindingDB Entry DOI: 10.7270/Q2ZW1P55
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448308 (MI-23) Show SMILES Fc1cc(F)cc(CCC(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)c1 |r| Show InChI InChI=1S/C24H29F2N3O4/c25-17-8-14(9-18(26)11-17)4-5-21(31)29-12-16-2-1-3-20(16)22(29)24(33)28-19(13-30)10-15-6-7-27-23(15)32/h8-9,11,13,15-16,19-20,22H,1-7,10,12H2,(H,27,32)(H,28,33)/t15-,16-,19-,20+,22+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University					Assay Description The enzymatic inhibition assay was carried out with a final concentration of 100 nM recombinant SARS-CoV-2 Mpro and 20 μM FRET substrate. For th...				Science (2021) Article DOI: 10.1126/science.abf1611 BindingDB Entry DOI: 10.7270/Q24B34C1
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448306 (MI-21) Show SMILES Fc1cccc(CCC(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)c1 |r| Show InChI InChI=1S/C24H30FN3O4/c25-18-5-1-3-15(11-18)7-8-21(30)28-13-17-4-2-6-20(17)22(28)24(32)27-19(14-29)12-16-9-10-26-23(16)31/h1,3,5,11,14,16-17,19-20,22H,2,4,6-10,12-13H2,(H,26,31)(H,27,32)/t16-,17-,19-,20+,22+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University					Assay Description The enzymatic inhibition assay was carried out with a final concentration of 100 nM recombinant SARS-CoV-2 Mpro and 20 μM FRET substrate. For th...				Science (2021) Article DOI: 10.1126/science.abf1611 BindingDB Entry DOI: 10.7270/Q24B34C1
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK4 (Homo sapiens (Human))	BDBM50238867 (CHEMBL4083249) Show SMILES C[C@@H](c1ccc(F)cc1)n1nnc2cnc3ccc(cc3c12)-c1ccc2ocnc2c1 |r| Show InChI InChI=1S/C24H16FN5O/c1-14(15-2-6-18(25)7-3-15)30-24-19-10-16(4-8-20(19)26-12-22(24)28-29-30)17-5-9-23-21(11-17)27-13-31-23/h2-14H,1H3/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center for Biotherapy Curated by ChEMBL					Assay Description Inhibition of recombinant human CLK4 expressed in baculovirus infected Sf21 cells				J Med Chem 60: 6337-6352 (2017) Article DOI: 10.1021/acs.jmedchem.7b00665 BindingDB Entry DOI: 10.7270/Q2ZW1P55
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity protein kinase CLK4 (Homo sapiens (Human))	BDBM50238867 (CHEMBL4083249) Show SMILES C[C@@H](c1ccc(F)cc1)n1nnc2cnc3ccc(cc3c12)-c1ccc2ocnc2c1 |r| Show InChI InChI=1S/C24H16FN5O/c1-14(15-2-6-18(25)7-3-15)30-24-19-10-16(4-8-20(19)26-12-22(24)28-29-30)17-5-9-23-21(11-17)27-13-31-23/h2-14H,1H3/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center for Biotherapy Curated by ChEMBL					Assay Description Inhibition of recombinant human CLK4 expressed in baculovirus infected Sf21 cells				J Med Chem 60: 6337-6352 (2017) Article DOI: 10.1021/acs.jmedchem.7b00665 BindingDB Entry DOI: 10.7270/Q2ZW1P55
					More data for this Ligand-Target Pair				3D Structure (crystal)
Replicase polyprotein 1ab (2019-nCoV)	BDBM448314 (MI-28) Show SMILES Clc1ccc(OCC(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)cc1 |r| Show InChI InChI=1S/C23H28ClN3O5/c24-16-4-6-18(7-5-16)32-13-20(29)27-11-15-2-1-3-19(15)21(27)23(31)26-17(12-28)10-14-8-9-25-22(14)30/h4-7,12,14-15,17,19,21H,1-3,8-11,13H2,(H,25,30)(H,26,31)/t14-,15-,17-,19+,21+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University					Assay Description The enzymatic inhibition assay was carried out with a final concentration of 100 nM recombinant SARS-CoV-2 Mpro and 20 μM FRET substrate. For th...				Science (2021) Article DOI: 10.1126/science.abf1611 BindingDB Entry DOI: 10.7270/Q24B34C1
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448298 (MI-13) Show SMILES CC1(C)[C@H]2CN([C@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)C(=O)COc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C23H27Cl2N3O5/c1-23(2)15-9-28(18(30)11-33-14-3-4-16(24)17(25)8-14)20(19(15)23)22(32)27-13(10-29)7-12-5-6-26-21(12)31/h3-4,8,10,12-13,15,19-20H,5-7,9,11H2,1-2H3,(H,26,31)(H,27,32)/t12-,13-,15-,19-,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University					Assay Description The enzymatic inhibition assay was carried out with a final concentration of 100 nM recombinant SARS-CoV-2 Mpro and 20 μM FRET substrate. For th...				Science (2021) Article DOI: 10.1126/science.abf1611 BindingDB Entry DOI: 10.7270/Q24B34C1
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448299 (MI-14) Show SMILES CC1(C)[C@H]2CN([C@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)C(=O)COc1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C23H27Cl2N3O5/c1-23(2)15-9-28(18(30)11-33-17-4-3-13(24)8-16(17)25)20(19(15)23)22(32)27-14(10-29)7-12-5-6-26-21(12)31/h3-4,8,10,12,14-15,19-20H,5-7,9,11H2,1-2H3,(H,26,31)(H,27,32)/t12-,14-,15-,19-,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University					Assay Description The enzymatic inhibition assay was carried out with a final concentration of 100 nM recombinant SARS-CoV-2 Mpro and 20 μM FRET substrate. For th...				Science (2021) Article DOI: 10.1126/science.abf1611 BindingDB Entry DOI: 10.7270/Q24B34C1
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448259 (MI-05) Show SMILES CC1(C)[C@H]2CN([C@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)C(=O)COc1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C23H27F2N3O5/c1-23(2)15-9-28(18(30)11-33-14-3-4-16(24)17(25)8-14)20(19(15)23)22(32)27-13(10-29)7-12-5-6-26-21(12)31/h3-4,8,10,12-13,15,19-20H,5-7,9,11H2,1-2H3,(H,26,31)(H,27,32)/t12-,13-,15-,19-,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University					Assay Description The enzymatic inhibition assay was carried out with a final concentration of 100 nM recombinant SARS-CoV-2 Mpro and 20 μM FRET substrate. For th...				Science (2021) Article DOI: 10.1126/science.abf1611 BindingDB Entry DOI: 10.7270/Q24B34C1
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448296 (MI-11) Show SMILES CC1(C)[C@H]2CN([C@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)C(=O)COc1ccc(Br)cc1Cl |r| Show InChI InChI=1S/C23H27BrClN3O5/c1-23(2)15-9-28(18(30)11-33-17-4-3-13(24)8-16(17)25)20(19(15)23)22(32)27-14(10-29)7-12-5-6-26-21(12)31/h3-4,8,10,12,14-15,19-20H,5-7,9,11H2,1-2H3,(H,26,31)(H,27,32)/t12-,14-,15-,19-,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University					Assay Description The enzymatic inhibition assay was carried out with a final concentration of 100 nM recombinant SARS-CoV-2 Mpro and 20 μM FRET substrate. For th...				Science (2021) Article DOI: 10.1126/science.abf1611 BindingDB Entry DOI: 10.7270/Q24B34C1
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448267 (MI-06) Show SMILES COc1ccc(OCC(=O)N2C[C@H]3[C@@H]([C@@H]2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)C3(C)C)cc1OC |r| Show InChI InChI=1S/C25H33N3O7/c1-25(2)17-11-28(20(30)13-35-16-5-6-18(33-3)19(10-16)34-4)22(21(17)25)24(32)27-15(12-29)9-14-7-8-26-23(14)31/h5-6,10,12,14-15,17,21-22H,7-9,11,13H2,1-4H3,(H,26,31)(H,27,32)/t14-,15-,17-,21-,22+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University					Assay Description The enzymatic inhibition assay was carried out with a final concentration of 100 nM recombinant SARS-CoV-2 Mpro and 20 μM FRET substrate. For th...				Science (2021) Article DOI: 10.1126/science.abf1611 BindingDB Entry DOI: 10.7270/Q24B34C1
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448272 (MI-09) Show SMILES CC1(C)[C@H]2CN([C@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)C(=O)COc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C24H28F3N3O6/c1-23(2)17-10-30(18(32)12-35-15-3-5-16(6-4-15)36-24(25,26)27)20(19(17)23)22(34)29-14(11-31)9-13-7-8-28-21(13)33/h3-6,11,13-14,17,19-20H,7-10,12H2,1-2H3,(H,28,33)(H,29,34)/t13-,14-,17-,19-,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University					Assay Description The enzymatic inhibition assay was carried out with a final concentration of 100 nM recombinant SARS-CoV-2 Mpro and 20 μM FRET substrate. For th...				Science (2021) Article DOI: 10.1126/science.abf1611 BindingDB Entry DOI: 10.7270/Q24B34C1
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448316 (MI-30) Show SMILES Clc1ccc(OCC(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)c(Cl)c1 |r| Show InChI InChI=1S/C23H27Cl2N3O5/c24-15-4-5-19(18(25)9-15)33-12-20(30)28-10-14-2-1-3-17(14)21(28)23(32)27-16(11-29)8-13-6-7-26-22(13)31/h4-5,9,11,13-14,16-17,21H,1-3,6-8,10,12H2,(H,26,31)(H,27,32)/t13-,14-,16-,17+,21+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University					Assay Description The enzymatic inhibition assay was carried out with a final concentration of 100 nM recombinant SARS-CoV-2 Mpro and 20 μM FRET substrate. For th...				Science (2021) Article DOI: 10.1126/science.abf1611 BindingDB Entry DOI: 10.7270/Q24B34C1
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50026622 (CHEMBL408982) Show SMILES CCN1\C(Sc2ccc(OC)cc12)=C\C(C)=O Show InChI InChI=1S/C13H15NO2S/c1-4-14-11-8-10(16-3)5-6-12(11)17-13(14)7-9(2)15/h5-8H,4H2,1-3H3/b13-7-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center for Biotherapy Curated by ChEMBL					Assay Description Inhibition of recombinant human CLK1 expressed in insect cells using ERMRPRKRQGSVRRRV peptide as substrate after 40 mins in presence of [gamma-33P]-A...				J Med Chem 60: 6337-6352 (2017) Article DOI: 10.1021/acs.jmedchem.7b00665 BindingDB Entry DOI: 10.7270/Q2ZW1P55
					More data for this Ligand-Target Pair				3D Structure (crystal)
Replicase polyprotein 1ab (2019-nCoV)	BDBM448244 (MI-03) Show SMILES CC1(C)[C@H]2CN([C@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)C(=O)CCc1cccc(F)c1 |r| Show InChI InChI=1S/C24H30FN3O4/c1-24(2)18-12-28(19(30)7-6-14-4-3-5-16(25)10-14)21(20(18)24)23(32)27-17(13-29)11-15-8-9-26-22(15)31/h3-5,10,13,15,17-18,20-21H,6-9,11-12H2,1-2H3,(H,26,31)(H,27,32)/t15-,17-,18-,20-,21+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University					Assay Description The enzymatic inhibition assay was carried out with a final concentration of 100 nM recombinant SARS-CoV-2 Mpro and 20 μM FRET substrate. For th...				Science (2021) Article DOI: 10.1126/science.abf1611 BindingDB Entry DOI: 10.7270/Q24B34C1
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448307 (MI-22) Show SMILES Fc1ccc(CCC(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)cc1F |r| Show InChI InChI=1S/C24H29F2N3O4/c25-19-6-4-14(10-20(19)26)5-7-21(31)29-12-16-2-1-3-18(16)22(29)24(33)28-17(13-30)11-15-8-9-27-23(15)32/h4,6,10,13,15-18,22H,1-3,5,7-9,11-12H2,(H,27,32)(H,28,33)/t15-,16-,17-,18+,22+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University					Assay Description The enzymatic inhibition assay was carried out with a final concentration of 100 nM recombinant SARS-CoV-2 Mpro and 20 μM FRET substrate. For th...				Science (2021) Article DOI: 10.1126/science.abf1611 BindingDB Entry DOI: 10.7270/Q24B34C1
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50026622 (CHEMBL408982) Show SMILES CCN1\C(Sc2ccc(OC)cc12)=C\C(C)=O Show InChI InChI=1S/C13H15NO2S/c1-4-14-11-8-10(16-3)5-6-12(11)17-13(14)7-9(2)15/h5-8H,4H2,1-3H3/b13-7-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center for Biotherapy Curated by ChEMBL					Assay Description Inhibition of recombinant human CLK1 expressed in insect cells using ERMRPRKRQGSVRRRV peptide as substrate after 40 mins in presence of [gamma-33P]-A...				J Med Chem 60: 6337-6352 (2017) Article DOI: 10.1021/acs.jmedchem.7b00665 BindingDB Entry DOI: 10.7270/Q2ZW1P55
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50238868 (CHEMBL4072795) Show SMILES C[C@@H](c1ccc(F)cc1)n1nnc2cnc3ccc(cc3c12)-c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C24H17FN4O2/c1-14(15-2-6-18(25)7-3-15)29-24-19-10-16(4-8-20(19)26-12-21(24)27-28-29)17-5-9-22-23(11-17)31-13-30-22/h2-12,14H,13H2,1H3/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center for Biotherapy Curated by ChEMBL					Assay Description Inhibition of recombinant human CLK1 expressed in insect cells using ERMRPRKRQGSVRRRV peptide as substrate after 40 mins in presence of [gamma-33P]-A...				J Med Chem 60: 6337-6352 (2017) Article DOI: 10.1021/acs.jmedchem.7b00665 BindingDB Entry DOI: 10.7270/Q2ZW1P55
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50238868 (CHEMBL4072795) Show SMILES C[C@@H](c1ccc(F)cc1)n1nnc2cnc3ccc(cc3c12)-c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C24H17FN4O2/c1-14(15-2-6-18(25)7-3-15)29-24-19-10-16(4-8-20(19)26-12-21(24)27-28-29)17-5-9-22-23(11-17)31-13-30-22/h2-12,14H,13H2,1H3/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center for Biotherapy Curated by ChEMBL					Assay Description Inhibition of recombinant human CLK1 expressed in insect cells using ERMRPRKRQGSVRRRV peptide as substrate after 40 mins in presence of [gamma-33P]-A...				J Med Chem 60: 6337-6352 (2017) Article DOI: 10.1021/acs.jmedchem.7b00665 BindingDB Entry DOI: 10.7270/Q2ZW1P55
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448257 (MI-04) Show SMILES CC1(C)[C@H]2CN([C@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)C(=O)COc1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C23H27F2N3O5/c1-23(2)17-9-28(18(30)11-33-16-7-13(24)6-14(25)8-16)20(19(17)23)22(32)27-15(10-29)5-12-3-4-26-21(12)31/h6-8,10,12,15,17,19-20H,3-5,9,11H2,1-2H3,(H,26,31)(H,27,32)/t12-,15-,17-,19-,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University					Assay Description The enzymatic inhibition assay was carried out with a final concentration of 100 nM recombinant SARS-CoV-2 Mpro and 20 μM FRET substrate. For th...				Science (2021) Article DOI: 10.1126/science.abf1611 BindingDB Entry DOI: 10.7270/Q24B34C1
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448297 (MI-12) Show SMILES CC1(C)[C@H]2CN([C@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)C(=O)COc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H28ClN3O5/c1-23(2)17-10-27(18(29)12-32-16-5-3-14(24)4-6-16)20(19(17)23)22(31)26-15(11-28)9-13-7-8-25-21(13)30/h3-6,11,13,15,17,19-20H,7-10,12H2,1-2H3,(H,25,30)(H,26,31)/t13-,15-,17-,19-,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University					Assay Description The enzymatic inhibition assay was carried out with a final concentration of 100 nM recombinant SARS-CoV-2 Mpro and 20 μM FRET substrate. For th...				Science (2021) Article DOI: 10.1126/science.abf1611 BindingDB Entry DOI: 10.7270/Q24B34C1
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448318 (MI-32) Show SMILES Cc1cc(Cl)ccc1OCC(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O |r| Show InChI InChI=1S/C24H30ClN3O5/c1-14-9-17(25)5-6-20(14)33-13-21(30)28-11-16-3-2-4-19(16)22(28)24(32)27-18(12-29)10-15-7-8-26-23(15)31/h5-6,9,12,15-16,18-19,22H,2-4,7-8,10-11,13H2,1H3,(H,26,31)(H,27,32)/t15-,16-,18-,19+,22+/m0/s1	PDB MMDB NCI pathway Reactome pathway 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
Sichuan University					Assay Description The enzymatic inhibition assay was carried out with a final concentration of 100 nM recombinant SARS-CoV-2 Mpro and 20 μM FRET substrate. For th...				Science (2021) Article DOI: 10.1126/science.abf1611 BindingDB Entry DOI: 10.7270/Q24B34C1
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50238881 (CHEMBL4067143) Show SMILES C[C@H](c1ccccc1)n1nnc2cnc3ccc(cc3c12)-c1ccnc(C)c1 |r| Show InChI InChI=1S/C23H19N5/c1-15-12-19(10-11-24-15)18-8-9-21-20(13-18)23-22(14-25-21)26-27-28(23)16(2)17-6-4-3-5-7-17/h3-14,16H,1-2H3/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center for Biotherapy Curated by ChEMBL					Assay Description Inhibition of recombinant human CLK1 expressed in insect cells using ERMRPRKRQGSVRRRV peptide as substrate after 40 mins in presence of [gamma-33P]-A...				J Med Chem 60: 6337-6352 (2017) Article DOI: 10.1021/acs.jmedchem.7b00665 BindingDB Entry DOI: 10.7270/Q2ZW1P55
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50238881 (CHEMBL4067143) Show SMILES C[C@H](c1ccccc1)n1nnc2cnc3ccc(cc3c12)-c1ccnc(C)c1 |r| Show InChI InChI=1S/C23H19N5/c1-15-12-19(10-11-24-15)18-8-9-21-20(13-18)23-22(14-25-21)26-27-28(23)16(2)17-6-4-3-5-7-17/h3-14,16H,1-2H3/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center for Biotherapy Curated by ChEMBL					Assay Description Inhibition of recombinant human CLK1 expressed in insect cells using ERMRPRKRQGSVRRRV peptide as substrate after 40 mins in presence of [gamma-33P]-A...				J Med Chem 60: 6337-6352 (2017) Article DOI: 10.1021/acs.jmedchem.7b00665 BindingDB Entry DOI: 10.7270/Q2ZW1P55
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448230 (11b | MI-02) Show SMILES CC1(C)[C@H]2CN([C@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)C(=O)COc1ccc2ccccc2c1 |r| Show InChI InChI=1S/C27H31N3O5/c1-27(2)21-13-30(22(32)15-35-20-8-7-16-5-3-4-6-17(16)12-20)24(23(21)27)26(34)29-19(14-31)11-18-9-10-28-25(18)33/h3-8,12,14,18-19,21,23-24H,9-11,13,15H2,1-2H3,(H,28,33)(H,29,34)/t18-,19-,21-,23-,24+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University					Assay Description The enzymatic inhibition assay was carried out with a final concentration of 100 nM recombinant SARS-CoV-2 Mpro and 20 μM FRET substrate. For th...				Science (2021) Article DOI: 10.1126/science.abf1611 BindingDB Entry DOI: 10.7270/Q24B34C1
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50238884 (CHEMBL4060440) Show SMILES C[C@@H](c1ccc(F)cc1)n1nnc2cnc3ccc(cc3c12)-c1ccnc(C)c1 |r| Show InChI InChI=1S/C23H18FN5/c1-14-11-18(9-10-25-14)17-5-8-21-20(12-17)23-22(13-26-21)27-28-29(23)15(2)16-3-6-19(24)7-4-16/h3-13,15H,1-2H3/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center for Biotherapy Curated by ChEMBL					Assay Description Inhibition of recombinant human CLK1 expressed in insect cells using ERMRPRKRQGSVRRRV peptide as substrate after 40 mins in presence of [gamma-33P]-A...				J Med Chem 60: 6337-6352 (2017) Article DOI: 10.1021/acs.jmedchem.7b00665 BindingDB Entry DOI: 10.7270/Q2ZW1P55
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50238884 (CHEMBL4060440) Show SMILES C[C@@H](c1ccc(F)cc1)n1nnc2cnc3ccc(cc3c12)-c1ccnc(C)c1 |r| Show InChI InChI=1S/C23H18FN5/c1-14-11-18(9-10-25-14)17-5-8-21-20(12-17)23-22(13-26-21)27-28-29(23)15(2)16-3-6-19(24)7-4-16/h3-13,15H,1-2H3/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center for Biotherapy Curated by ChEMBL					Assay Description Inhibition of recombinant human CLK1 expressed in insect cells using ERMRPRKRQGSVRRRV peptide as substrate after 40 mins in presence of [gamma-33P]-A...				J Med Chem 60: 6337-6352 (2017) Article DOI: 10.1021/acs.jmedchem.7b00665 BindingDB Entry DOI: 10.7270/Q2ZW1P55
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448317 (MI-31) Show SMILES Clc1ccc(OCC(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)cc1Cl |r| Show InChI InChI=1S/C23H27Cl2N3O5/c24-18-5-4-16(9-19(18)25)33-12-20(30)28-10-14-2-1-3-17(14)21(28)23(32)27-15(11-29)8-13-6-7-26-22(13)31/h4-5,9,11,13-15,17,21H,1-3,6-8,10,12H2,(H,26,31)(H,27,32)/t13-,14-,15-,17+,21+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University					Assay Description The enzymatic inhibition assay was carried out with a final concentration of 100 nM recombinant SARS-CoV-2 Mpro and 20 μM FRET substrate. For th...				Science (2021) Article DOI: 10.1126/science.abf1611 BindingDB Entry DOI: 10.7270/Q24B34C1
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50238887 (CHEMBL4093503) Show SMILES C[C@@H](c1ccc(F)cc1)n1nnc2cnc3ccc(cc3c12)-c1ccc2occc2c1 |r| Show InChI InChI=1S/C25H17FN4O/c1-15(16-2-6-20(26)7-3-16)30-25-21-13-18(4-8-22(21)27-14-23(25)28-29-30)17-5-9-24-19(12-17)10-11-31-24/h2-15H,1H3/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center for Biotherapy Curated by ChEMBL					Assay Description Inhibition of recombinant human CLK1 expressed in insect cells using ERMRPRKRQGSVRRRV peptide as substrate after 40 mins in presence of [gamma-33P]-A...				J Med Chem 60: 6337-6352 (2017) Article DOI: 10.1021/acs.jmedchem.7b00665 BindingDB Entry DOI: 10.7270/Q2ZW1P55
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50238887 (CHEMBL4093503) Show SMILES C[C@@H](c1ccc(F)cc1)n1nnc2cnc3ccc(cc3c12)-c1ccc2occc2c1 |r| Show InChI InChI=1S/C25H17FN4O/c1-15(16-2-6-20(26)7-3-16)30-25-21-13-18(4-8-22(21)27-14-23(25)28-29-30)17-5-9-24-19(12-17)10-11-31-24/h2-15H,1H3/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center for Biotherapy Curated by ChEMBL					Assay Description Inhibition of recombinant human CLK1 expressed in insect cells using ERMRPRKRQGSVRRRV peptide as substrate after 40 mins in presence of [gamma-33P]-A...				J Med Chem 60: 6337-6352 (2017) Article DOI: 10.1021/acs.jmedchem.7b00665 BindingDB Entry DOI: 10.7270/Q2ZW1P55
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM50238867 (CHEMBL4083249) Show SMILES C[C@@H](c1ccc(F)cc1)n1nnc2cnc3ccc(cc3c12)-c1ccc2ocnc2c1 |r| Show InChI InChI=1S/C24H16FN5O/c1-14(15-2-6-18(25)7-3-15)30-24-19-10-16(4-8-20(19)26-12-22(24)28-29-30)17-5-9-23-21(11-17)27-13-31-23/h2-14H,1H3/t14-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center for Biotherapy Curated by ChEMBL					Assay Description Inhibition of recombinant human CLK2 (144 to 498 residues) expressed in insect cells using S6 kinase/Rsk2 substrate peptide 2 in presence of [gamma-3...				J Med Chem 60: 6337-6352 (2017) Article DOI: 10.1021/acs.jmedchem.7b00665 BindingDB Entry DOI: 10.7270/Q2ZW1P55
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM50238867 (CHEMBL4083249) Show SMILES C[C@@H](c1ccc(F)cc1)n1nnc2cnc3ccc(cc3c12)-c1ccc2ocnc2c1 |r| Show InChI InChI=1S/C24H16FN5O/c1-14(15-2-6-18(25)7-3-15)30-24-19-10-16(4-8-20(19)26-12-22(24)28-29-30)17-5-9-23-21(11-17)27-13-31-23/h2-14H,1H3/t14-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center for Biotherapy Curated by ChEMBL					Assay Description Inhibition of recombinant human CLK2 (144 to 498 residues) expressed in insect cells using S6 kinase/Rsk2 substrate peptide 2 in presence of [gamma-3...				J Med Chem 60: 6337-6352 (2017) Article DOI: 10.1021/acs.jmedchem.7b00665 BindingDB Entry DOI: 10.7270/Q2ZW1P55
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50238892 (CHEMBL4104765) Show SMILES C[C@H](c1ccc(C)cc1)n1nnc2cnc3ccc(cc3c12)-c1ccnc(C)c1 |r| Show InChI InChI=1S/C24H21N5/c1-15-4-6-18(7-5-15)17(3)29-24-21-13-19(20-10-11-25-16(2)12-20)8-9-22(21)26-14-23(24)27-28-29/h4-14,17H,1-3H3/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center for Biotherapy Curated by ChEMBL					Assay Description Compound was tested in vitro for its affinity towards rat striatal Dopamine receptor D2 labeled with [3H]- spiperone				J Med Chem 60: 6337-6352 (2017) Article DOI: 10.1021/acs.jmedchem.7b00665 BindingDB Entry DOI: 10.7270/Q2ZW1P55
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50238892 (CHEMBL4104765) Show SMILES C[C@H](c1ccc(C)cc1)n1nnc2cnc3ccc(cc3c12)-c1ccnc(C)c1 |r| Show InChI InChI=1S/C24H21N5/c1-15-4-6-18(7-5-15)17(3)29-24-21-13-19(20-10-11-25-16(2)12-20)8-9-22(21)26-14-23(24)27-28-29/h4-14,17H,1-3H3/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center for Biotherapy Curated by ChEMBL					Assay Description Compound was tested in vitro for its affinity towards rat striatal Dopamine receptor D2 labeled with [3H]- spiperone				J Med Chem 60: 6337-6352 (2017) Article DOI: 10.1021/acs.jmedchem.7b00665 BindingDB Entry DOI: 10.7270/Q2ZW1P55
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448315 (MI-29) Show SMILES Fc1cc(Cl)ccc1OCC(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O |r| Show InChI InChI=1S/C23H27ClFN3O5/c24-15-4-5-19(18(25)9-15)33-12-20(30)28-10-14-2-1-3-17(14)21(28)23(32)27-16(11-29)8-13-6-7-26-22(13)31/h4-5,9,11,13-14,16-17,21H,1-3,6-8,10,12H2,(H,26,31)(H,27,32)/t13-,14-,16-,17+,21+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University					Assay Description The enzymatic inhibition assay was carried out with a final concentration of 100 nM recombinant SARS-CoV-2 Mpro and 20 μM FRET substrate. For th...				Science (2021) Article DOI: 10.1126/science.abf1611 BindingDB Entry DOI: 10.7270/Q24B34C1
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50238883 (CHEMBL4088668) Show SMILES C[C@H](c1ccc(F)cc1)n1nnc2cnc3ccc(cc3c12)-c1ccnc(C)c1 |r| Show InChI InChI=1S/C23H18FN5/c1-14-11-18(9-10-25-14)17-5-8-21-20(12-17)23-22(13-26-21)27-28-29(23)15(2)16-3-6-19(24)7-4-16/h3-13,15H,1-2H3/t15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center for Biotherapy Curated by ChEMBL					Assay Description Inhibition of recombinant human CLK1 expressed in insect cells using ERMRPRKRQGSVRRRV peptide as substrate after 40 mins in presence of [gamma-33P]-A...				J Med Chem 60: 6337-6352 (2017) Article DOI: 10.1021/acs.jmedchem.7b00665 BindingDB Entry DOI: 10.7270/Q2ZW1P55
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448311 (MI-25) Show SMILES COc1ccc(OCC(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)cc1 |r| Show InChI InChI=1S/C24H31N3O6/c1-32-18-5-7-19(8-6-18)33-14-21(29)27-12-16-3-2-4-20(16)22(27)24(31)26-17(13-28)11-15-9-10-25-23(15)30/h5-8,13,15-17,20,22H,2-4,9-12,14H2,1H3,(H,25,30)(H,26,31)/t15-,16-,17-,20+,22+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University					Assay Description The enzymatic inhibition assay was carried out with a final concentration of 100 nM recombinant SARS-CoV-2 Mpro and 20 μM FRET substrate. For th...				Science (2021) Article DOI: 10.1126/science.abf1611 BindingDB Entry DOI: 10.7270/Q24B34C1
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50238883 (CHEMBL4088668) Show SMILES C[C@H](c1ccc(F)cc1)n1nnc2cnc3ccc(cc3c12)-c1ccnc(C)c1 |r| Show InChI InChI=1S/C23H18FN5/c1-14-11-18(9-10-25-14)17-5-8-21-20(12-17)23-22(13-26-21)27-28-29(23)15(2)16-3-6-19(24)7-4-16/h3-13,15H,1-2H3/t15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center for Biotherapy Curated by ChEMBL					Assay Description Inhibition of recombinant human CLK1 expressed in insect cells using ERMRPRKRQGSVRRRV peptide as substrate after 40 mins in presence of [gamma-33P]-A...				J Med Chem 60: 6337-6352 (2017) Article DOI: 10.1021/acs.jmedchem.7b00665 BindingDB Entry DOI: 10.7270/Q2ZW1P55
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448319 (GC-376 | GC376) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCNC1=O)C(O)S([O-])(=O)=O Show InChI InChI=1S/C21H31N3O8S/c1-13(2)10-16(24-21(28)32-12-14-6-4-3-5-7-14)19(26)23-17(20(27)33(29,30)31)11-15-8-9-22-18(15)25/h3-7,13,15-17,20,27H,8-12H2,1-2H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/p-1/t15?,16-,17-,20?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University					Assay Description The enzymatic inhibition assay was carried out with a final concentration of 100 nM recombinant SARS-CoV-2 Mpro and 20 μM FRET substrate. For th...				Science (2021) Article DOI: 10.1126/science.abf1611 BindingDB Entry DOI: 10.7270/Q24B34C1
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448271 (MI-08) Show SMILES COc1ccc(OCC(=O)N2C[C@H]3[C@@H]([C@@H]2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)C3(C)C)cc1F |r| Show InChI InChI=1S/C24H30FN3O6/c1-24(2)16-10-28(19(30)12-34-15-4-5-18(33-3)17(25)9-15)21(20(16)24)23(32)27-14(11-29)8-13-6-7-26-22(13)31/h4-5,9,11,13-14,16,20-21H,6-8,10,12H2,1-3H3,(H,26,31)(H,27,32)/t13-,14-,16-,20-,21+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University					Assay Description The enzymatic inhibition assay was carried out with a final concentration of 100 nM recombinant SARS-CoV-2 Mpro and 20 μM FRET substrate. For th...				Science (2021) Article DOI: 10.1126/science.abf1611 BindingDB Entry DOI: 10.7270/Q24B34C1
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448269 (MI-07) Show SMILES CC1(C)[C@H]2CN([C@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)C(=O)COc1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C24H28F3N3O5/c1-23(2)17-10-30(18(32)12-35-16-5-3-14(4-6-16)24(25,26)27)20(19(17)23)22(34)29-15(11-31)9-13-7-8-28-21(13)33/h3-6,11,13,15,17,19-20H,7-10,12H2,1-2H3,(H,28,33)(H,29,34)/t13-,15-,17-,19-,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University					Assay Description The enzymatic inhibition assay was carried out with a final concentration of 100 nM recombinant SARS-CoV-2 Mpro and 20 μM FRET substrate. For th...				Science (2021) Article DOI: 10.1126/science.abf1611 BindingDB Entry DOI: 10.7270/Q24B34C1
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448295 (MI-10) Show SMILES CC1(C)[C@H]2CN([C@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)C(=O)COc1ccc(Cl)c(Br)c1 |r| Show InChI InChI=1S/C23H27BrClN3O5/c1-23(2)15-9-28(18(30)11-33-14-3-4-17(25)16(24)8-14)20(19(15)23)22(32)27-13(10-29)7-12-5-6-26-21(12)31/h3-4,8,10,12-13,15,19-20H,5-7,9,11H2,1-2H3,(H,26,31)(H,27,32)/t12-,13-,15-,19-,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University					Assay Description The enzymatic inhibition assay was carried out with a final concentration of 100 nM recombinant SARS-CoV-2 Mpro and 20 μM FRET substrate. For th...				Science (2021) Article DOI: 10.1126/science.abf1611 BindingDB Entry DOI: 10.7270/Q24B34C1
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448230 (11b | MI-02) Show SMILES CC1(C)[C@H]2CN([C@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)C(=O)COc1ccc2ccccc2c1 |r| Show InChI InChI=1S/C27H31N3O5/c1-27(2)21-13-30(22(32)15-35-20-8-7-16-5-3-4-6-17(16)12-20)24(23(21)27)26(34)29-19(14-31)11-18-9-10-28-25(18)33/h3-8,12,14,18-19,21,23-24H,9-11,13,15H2,1-2H3,(H,28,33)(H,29,34)/t18-,19-,21-,23-,24+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University					Assay Description The enzymatic inhibition assay was carried out with a final concentration of 100 nM recombinant SARS-CoV-2 Mpro and 20 μM FRET substrate. For th...				Science (2021) Article DOI: 10.1126/science.abf1611 BindingDB Entry DOI: 10.7270/Q24B34C1
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50238885 (CHEMBL4069124) Show SMILES CC(C)n1nnc2cnc3ccc(cc3c12)-c1ccnc(C)c1 Show InChI InChI=1S/C18H17N5/c1-11(2)23-18-15-9-13(14-6-7-19-12(3)8-14)4-5-16(15)20-10-17(18)21-22-23/h4-11H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center for Biotherapy Curated by ChEMBL					Assay Description Inhibition of recombinant human CLK1 expressed in insect cells using ERMRPRKRQGSVRRRV peptide as substrate after 40 mins in presence of [gamma-33P]-A...				J Med Chem 60: 6337-6352 (2017) Article DOI: 10.1021/acs.jmedchem.7b00665 BindingDB Entry DOI: 10.7270/Q2ZW1P55
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50238885 (CHEMBL4069124) Show SMILES CC(C)n1nnc2cnc3ccc(cc3c12)-c1ccnc(C)c1 Show InChI InChI=1S/C18H17N5/c1-11(2)23-18-15-9-13(14-6-7-19-12(3)8-14)4-5-16(15)20-10-17(18)21-22-23/h4-11H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center for Biotherapy Curated by ChEMBL					Assay Description Inhibition of recombinant human CLK1 expressed in insect cells using ERMRPRKRQGSVRRRV peptide as substrate after 40 mins in presence of [gamma-33P]-A...				J Med Chem 60: 6337-6352 (2017) Article DOI: 10.1021/acs.jmedchem.7b00665 BindingDB Entry DOI: 10.7270/Q2ZW1P55
					More data for this Ligand-Target Pair

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