Compile Data Set for Download or QSAR

Found 59 hits with Last Name = 'kudalkar' and Initial = 'sn'   

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
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM222178 (Rilpivirine) Show SMILES Cc1cc(\C=C\C#N)cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1 Show InChI InChI=1S/C22H18N6/c1-15-12-18(4-3-10-23)13-16(2)21(15)27-20-9-11-25-22(28-20)26-19-7-5-17(14-24)6-8-19/h3-9,11-13H,1-2H3,(H2,25,26,27,28)/b4-3+	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	0.680	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase p66/p51 Y181C mutant expressed in Escherichia coli BL21 (DE3) pLysS cells preincubated followed ...				Bioorg Med Chem Lett 29: 2182-2188 (2019) Article DOI: 10.1016/j.bmcl.2019.06.047 BindingDB Entry DOI: 10.7270/Q2BR8WKQ
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50501292 (CHEMBL3342978) Show SMILES Fc1ccc(Oc2cc(F)cn3cc(cc23)C#N)c(OCCn2ccc(=O)[nH]c2=O)c1 Show InChI InChI=1S/C21H14F2N4O4/c22-14-1-2-17(19(8-14)30-6-5-26-4-3-20(28)25-21(26)29)31-18-9-15(23)12-27-11-13(10-24)7-16(18)27/h1-4,7-9,11-12H,5-6H2,(H,25,28,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase p66/p51 expressed in Escherichia coli BL21 (DE3) pLysS cells preincubated followed by primer/tem...				Bioorg Med Chem Lett 29: 2182-2188 (2019) Article DOI: 10.1016/j.bmcl.2019.06.047 BindingDB Entry DOI: 10.7270/Q2BR8WKQ
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50501292 (CHEMBL3342978) Show SMILES Fc1ccc(Oc2cc(F)cn3cc(cc23)C#N)c(OCCn2ccc(=O)[nH]c2=O)c1 Show InChI InChI=1S/C21H14F2N4O4/c22-14-1-2-17(19(8-14)30-6-5-26-4-3-20(28)25-21(26)29)31-18-9-15(23)12-27-11-13(10-24)7-16(18)27/h1-4,7-9,11-12H,5-6H2,(H,25,28,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase p66/p51 Y181C mutant expressed in Escherichia coli BL21 (DE3) pLysS cells preincubated followed ...				Bioorg Med Chem Lett 29: 2182-2188 (2019) Article DOI: 10.1016/j.bmcl.2019.06.047 BindingDB Entry DOI: 10.7270/Q2BR8WKQ
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448369 (Perampanel, 21) Show SMILES Clc1cc(OCc2ccccc2Cl)cc(c1)C1C=C(C(=O)N(C1=O)c1cccnc1)c1c[nH]c(=O)[nH]c1=O |c:19| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Yale University					Assay Description Inhibition of proteolytic activity was tested using recombinant SARS-CoV-2Mpro, which was expressed and purified as previously described.8,12 For the...				ACS Cent Sci (2021) Article DOI: 10.1021/acscentsci.1c00039 BindingDB Entry DOI: 10.7270/Q20K2CMV
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448371 (Perampanel, 23) Show SMILES Fc1c(Cl)cc(cc1OCc1ccccc1Cl)C1C=C(C(=O)N(C1=O)c1cccnc1)c1c[nH]c(=O)[nH]c1=O |c:20| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Yale University					Assay Description Inhibition of proteolytic activity was tested using recombinant SARS-CoV-2Mpro, which was expressed and purified as previously described.8,12 For the...				ACS Cent Sci (2021) Article DOI: 10.1021/acscentsci.1c00039 BindingDB Entry DOI: 10.7270/Q20K2CMV
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448366 (Perampanel, 18 | Perampanel, 19) Show SMILES Fc1ccccc1COc1cc(Cl)cc(c1)C1C=C(C(=O)N(C1=O)c1cccnc1)c1c[nH]c(=O)[nH]c1=O |c:19| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Yale University					Assay Description Inhibition of proteolytic activity was tested using recombinant SARS-CoV-2Mpro, which was expressed and purified as previously described.8,12 For the...				ACS Cent Sci (2021) Article DOI: 10.1021/acscentsci.1c00039 BindingDB Entry DOI: 10.7270/Q20K2CMV
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448373 (Perampanel, 25) Show SMILES FC(F)(F)COc1cc(Cl)cc(c1)C1C=C(C(=O)N(C1=O)c1cccnc1)c1c[nH]c(=O)[nH]c1=O |c:15| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Yale University					Assay Description Inhibition of proteolytic activity was tested using recombinant SARS-CoV-2Mpro, which was expressed and purified as previously described.8,12 For the...				ACS Cent Sci (2021) Article DOI: 10.1021/acscentsci.1c00039 BindingDB Entry DOI: 10.7270/Q20K2CMV
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448370 (Perampanel, 22) Show SMILES Fc1ccc(Cl)c(COc2cc(Cl)cc(c2)C2C=C(C(=O)N(C2=O)c2cccnc2)c2c[nH]c(=O)[nH]c2=O)c1 |c:18| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Yale University					Assay Description Inhibition of proteolytic activity was tested using recombinant SARS-CoV-2Mpro, which was expressed and purified as previously described.8,12 For the...				ACS Cent Sci (2021) Article DOI: 10.1021/acscentsci.1c00039 BindingDB Entry DOI: 10.7270/Q20K2CMV
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448368 (Perampanel, 20) Show SMILES Fc1cccc(F)c1COc1cc(Cl)cc(c1)C1C=C(C(=O)N(C1=O)c1cccnc1)c1c[nH]c(=O)[nH]c1=O |c:20| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Yale University					Assay Description Inhibition of proteolytic activity was tested using recombinant SARS-CoV-2Mpro, which was expressed and purified as previously described.8,12 For the...				ACS Cent Sci (2021) Article DOI: 10.1021/acscentsci.1c00039 BindingDB Entry DOI: 10.7270/Q20K2CMV
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448366 (Perampanel, 18 | Perampanel, 19) Show SMILES Fc1ccccc1COc1cc(Cl)cc(c1)C1C=C(C(=O)N(C1=O)c1cccnc1)c1c[nH]c(=O)[nH]c1=O |c:19| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Yale University					Assay Description Inhibition of proteolytic activity was tested using recombinant SARS-CoV-2Mpro, which was expressed and purified as previously described.8,12 For the...				ACS Cent Sci (2021) Article DOI: 10.1021/acscentsci.1c00039 BindingDB Entry DOI: 10.7270/Q20K2CMV
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448372 (Perampanel, 24) Show SMILES Clc1cc(OC2CC2)cc(c1)C1C=C(C(=O)N(C1=O)c1cccnc1)c1c[nH]c(=O)[nH]c1=O |c:14| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Yale University					Assay Description Inhibition of proteolytic activity was tested using recombinant SARS-CoV-2Mpro, which was expressed and purified as previously described.8,12 For the...				ACS Cent Sci (2021) Article DOI: 10.1021/acscentsci.1c00039 BindingDB Entry DOI: 10.7270/Q20K2CMV
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448363 (Perampanel, 16) Show SMILES Cc1ccccc1COc1cc(Cl)cc(c1)C1C=C(C(=O)N(C1=O)c1cccnc1)c1c[nH]c(=O)[nH]c1=O |c:19| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Yale University					Assay Description Inhibition of proteolytic activity was tested using recombinant SARS-CoV-2Mpro, which was expressed and purified as previously described.8,12 For the...				ACS Cent Sci (2021) Article DOI: 10.1021/acscentsci.1c00039 BindingDB Entry DOI: 10.7270/Q20K2CMV
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448362 (Perampanel, 15) Show SMILES Clc1cc(OCCc2ccccc2)cc(c1)C1C=C(C(=O)N(C1=O)c1cccnc1)c1c[nH]c(=O)[nH]c1=O |c:19| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Yale University					Assay Description Inhibition of proteolytic activity was tested using recombinant SARS-CoV-2Mpro, which was expressed and purified as previously described.8,12 For the...				ACS Cent Sci (2021) Article DOI: 10.1021/acscentsci.1c00039 BindingDB Entry DOI: 10.7270/Q20K2CMV
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448364 (Perampanel, 17) Show SMILES Cc1cccc(COc2cc(Cl)cc(c2)C2C=C(C(=O)N(C2=O)c2cccnc2)c2c[nH]c(=O)[nH]c2=O)c1 |c:17| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Yale University					Assay Description Inhibition of proteolytic activity was tested using recombinant SARS-CoV-2Mpro, which was expressed and purified as previously described.8,12 For the...				ACS Cent Sci (2021) Article DOI: 10.1021/acscentsci.1c00039 BindingDB Entry DOI: 10.7270/Q20K2CMV
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448357 (Perampanel, 11) Show SMILES CCCOc1cc(Cl)cc(c1)C1C=C(C(=O)N(C1=O)c1cccnc1)c1c[nH]c(=O)[nH]c1=O |c:13| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Yale University					Assay Description Inhibition of proteolytic activity was tested using recombinant SARS-CoV-2Mpro, which was expressed and purified as previously described.8,12 For the...				ACS Cent Sci (2021) Article DOI: 10.1021/acscentsci.1c00039 BindingDB Entry DOI: 10.7270/Q20K2CMV
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448375 (Perampanel, 27) Show SMILES FC(F)(F)CCOc1cc(Cl)cc(c1)C1C=C(C(=O)N(C1=O)c1cccnc1)c1ccccc1C#N |c:16| Show InChI InChI=1S/C26H17ClF3N3O3/c27-18-10-17(11-20(12-18)36-9-7-26(28,29)30)22-13-23(21-6-2-1-4-16(21)14-31)25(35)33(24(22)34)19-5-3-8-32-15-19/h1-6,8,10-13,15,22H,7,9H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Yale University					Assay Description Inhibition of proteolytic activity was tested using recombinant SARS-CoV-2Mpro, which was expressed and purified as previously described.8,12 For the...				ACS Cent Sci (2021) Article DOI: 10.1021/acscentsci.1c00039 BindingDB Entry DOI: 10.7270/Q20K2CMV
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448361 (Perampanel, 14) Show SMILES Clc1cc(OCc2ccccc2)cc(c1)C1C=C(C(=O)N(C1=O)c1cccnc1)c1c[nH]c(=O)[nH]c1=O |c:18| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	128	n/a	n/a	n/a	n/a	n/a	n/a
Yale University					Assay Description Inhibition of proteolytic activity was tested using recombinant SARS-CoV-2Mpro, which was expressed and purified as previously described.8,12 For the...				ACS Cent Sci (2021) Article DOI: 10.1021/acscentsci.1c00039 BindingDB Entry DOI: 10.7270/Q20K2CMV
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448349 (Perampanel, 5) Show SMILES CCCOc1cc(Cl)cc(c1)C1C=C(C(=O)N(C1=O)c1cccnc1)c1ccccc1C#N |c:13| Show InChI InChI=1S/C26H20ClN3O3/c1-2-10-33-21-12-18(11-19(27)13-21)23-14-24(22-8-4-3-6-17(22)15-28)26(32)30(25(23)31)20-7-5-9-29-16-20/h3-9,11-14,16,23H,2,10H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Yale University					Assay Description Inhibition of proteolytic activity was tested using recombinant SARS-CoV-2Mpro, which was expressed and purified as previously described.8,12 For the...				ACS Cent Sci (2021) Article DOI: 10.1021/acscentsci.1c00039 BindingDB Entry DOI: 10.7270/Q20K2CMV
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448374 (Perampanel, 26) Show SMILES Clc1cc(OCC2CC2)cc(c1)C1C=C(C(=O)N(C1=O)c1cccnc1)c1ccccc1C#N |c:15| Show InChI InChI=1S/C27H20ClN3O3/c28-20-10-19(11-22(12-20)34-16-17-7-8-17)24-13-25(23-6-2-1-4-18(23)14-29)27(33)31(26(24)32)21-5-3-9-30-15-21/h1-6,9-13,15,17,24H,7-8,16H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Yale University					Assay Description Inhibition of proteolytic activity was tested using recombinant SARS-CoV-2Mpro, which was expressed and purified as previously described.8,12 For the...				ACS Cent Sci (2021) Article DOI: 10.1021/acscentsci.1c00039 BindingDB Entry DOI: 10.7270/Q20K2CMV
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448359 (Perampanel, 13) Show SMILES CCCC(C)Oc1cc(Cl)cc(c1)C1C=C(C(=O)N(C1=O)c1cccnc1)c1c[nH]c(=O)[nH]c1=O |c:15| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Yale University					Assay Description Inhibition of proteolytic activity was tested using recombinant SARS-CoV-2Mpro, which was expressed and purified as previously described.8,12 For the...				ACS Cent Sci (2021) Article DOI: 10.1021/acscentsci.1c00039 BindingDB Entry DOI: 10.7270/Q20K2CMV
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448358 (Perampanel, 12) Show SMILES CCCCOc1cc(Cl)cc(c1)C1C=C(C(=O)N(C1=O)c1cccnc1)c1c[nH]c(=O)[nH]c1=O |c:14| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Yale University					Assay Description Inhibition of proteolytic activity was tested using recombinant SARS-CoV-2Mpro, which was expressed and purified as previously described.8,12 For the...				ACS Cent Sci (2021) Article DOI: 10.1021/acscentsci.1c00039 BindingDB Entry DOI: 10.7270/Q20K2CMV
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448351 (Perampanel, 7) Show SMILES Clc1cc(OCc2ccccc2)cc(c1)C1C=C(C(=O)N(C1=O)c1cccnc1)c1ccccc1C#N |c:18| Show InChI InChI=1S/C30H20ClN3O3/c31-23-13-22(14-25(15-23)37-19-20-7-2-1-3-8-20)27-16-28(26-11-5-4-9-21(26)17-32)30(36)34(29(27)35)24-10-6-12-33-18-24/h1-16,18,27H,19H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Yale University					Assay Description Inhibition of proteolytic activity was tested using recombinant SARS-CoV-2Mpro, which was expressed and purified as previously described.8,12 For the...				ACS Cent Sci (2021) Article DOI: 10.1021/acscentsci.1c00039 BindingDB Entry DOI: 10.7270/Q20K2CMV
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448350 (Perampanel, 6) Show SMILES COCCOc1cc(Cl)cc(c1)C1C=C(C(=O)N(C1=O)c1cccnc1)c1ccccc1C#N |c:14| Show InChI InChI=1S/C26H20ClN3O4/c1-33-9-10-34-21-12-18(11-19(27)13-21)23-14-24(22-7-3-2-5-17(22)15-28)26(32)30(25(23)31)20-6-4-8-29-16-20/h2-8,11-14,16,23H,9-10H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Yale University					Assay Description Inhibition of proteolytic activity was tested using recombinant SARS-CoV-2Mpro, which was expressed and purified as previously described.8,12 For the...				ACS Cent Sci (2021) Article DOI: 10.1021/acscentsci.1c00039 BindingDB Entry DOI: 10.7270/Q20K2CMV
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50075103 (CHEBI:48202 | Nanafrocin) Show SMILES C[C@@H]1O[C@@H](CC(O)=O)CC2=C1C(=O)c1c(O)cccc1C2=O |c:9| Show InChI InChI=1S/C16H14O6/c1-7-13-10(5-8(22-7)6-12(18)19)15(20)9-3-2-4-11(17)14(9)16(13)21/h2-4,7-8,17H,5-6H2,1H3,(H,18,19)/t7-,8+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of human DNMT3B using [3H]-SAM				ACS Med Chem Lett 11: 971-976 (2020) Article DOI: 10.1021/acsmedchemlett.0c00011 BindingDB Entry DOI: 10.7270/Q2H998QH
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448353 (Perampanel, 8) Show SMILES Clc1cc(OCCc2ccccc2)cc(c1)C1C=C(C(=O)N(C1=O)c1cccnc1)c1ccccc1C#N |c:19| Show InChI InChI=1S/C31H22ClN3O3/c32-24-15-23(16-26(17-24)38-14-12-21-7-2-1-3-8-21)28-18-29(27-11-5-4-9-22(27)19-33)31(37)35(30(28)36)25-10-6-13-34-20-25/h1-11,13,15-18,20,28H,12,14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Yale University					Assay Description Inhibition of proteolytic activity was tested using recombinant SARS-CoV-2Mpro, which was expressed and purified as previously described.8,12 For the...				ACS Cent Sci (2021) Article DOI: 10.1021/acscentsci.1c00039 BindingDB Entry DOI: 10.7270/Q20K2CMV
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50075103 (CHEBI:48202 | Nanafrocin) Show SMILES C[C@@H]1O[C@@H](CC(O)=O)CC2=C1C(=O)c1c(O)cccc1C2=O |c:9| Show InChI InChI=1S/C16H14O6/c1-7-13-10(5-8(22-7)6-12(18)19)15(20)9-3-2-4-11(17)14(9)16(13)21/h2-4,7-8,17H,5-6H2,1H3,(H,18,19)/t7-,8+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3B expressed in baculovirus infected insect cells by DRONE assay				ACS Med Chem Lett 11: 971-976 (2020) Article DOI: 10.1021/acsmedchemlett.0c00011 BindingDB Entry DOI: 10.7270/Q2H998QH
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50389497 (CHEMBL1564869) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)N1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C19H14N2O4/c22-17-13-6-1-2-7-14(13)18(23)21(17)16(19(24)25)9-11-10-20-15-8-4-3-5-12(11)15/h1-8,10,16,20H,9H2,(H,24,25)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3B expressed in baculovirus infected insect cells using CpG site containing internally quenched hairpin oligonucl...				ACS Med Chem Lett 11: 971-976 (2020) Article DOI: 10.1021/acsmedchemlett.0c00011 BindingDB Entry DOI: 10.7270/Q2H998QH
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448355 (Perampanel, 10) Show SMILES COc1cc(Cl)cc(c1)C1C=C(C(=O)N(C1=O)c1cccnc1)c1c[nH]c(=O)[nH]c1=O |c:11| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yale University					Assay Description Inhibition of proteolytic activity was tested using recombinant SARS-CoV-2Mpro, which was expressed and purified as previously described.8,12 For the...				ACS Cent Sci (2021) Article DOI: 10.1021/acscentsci.1c00039 BindingDB Entry DOI: 10.7270/Q20K2CMV
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50075103 (CHEBI:48202 | Nanafrocin) Show SMILES C[C@@H]1O[C@@H](CC(O)=O)CC2=C1C(=O)c1c(O)cccc1C2=O |c:9| Show InChI InChI=1S/C16H14O6/c1-7-13-10(5-8(22-7)6-12(18)19)15(20)9-3-2-4-11(17)14(9)16(13)21/h2-4,7-8,17H,5-6H2,1H3,(H,18,19)/t7-,8+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3B expressed in baculovirus infected insect cells using CpG site containing internally quenched hairpin oligonucl...				ACS Med Chem Lett 11: 971-976 (2020) Article DOI: 10.1021/acsmedchemlett.0c00011 BindingDB Entry DOI: 10.7270/Q2H998QH
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448348 (Perampanel, 4) Show SMILES Clc1cc(Cl)cc(c1)C1C=C(C(=O)N(C1=O)c1cccnc1)c1ccccc1C#N |c:10| Show InChI InChI=1S/C23H13Cl2N3O2/c24-16-8-15(9-17(25)10-16)20-11-21(19-6-2-1-4-14(19)12-26)23(30)28(22(20)29)18-5-3-7-27-13-18/h1-11,13,20H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	4.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yale University					Assay Description Inhibition of proteolytic activity was tested using recombinant SARS-CoV-2Mpro, which was expressed and purified as previously described.8,12 For the...				ACS Cent Sci (2021) Article DOI: 10.1021/acscentsci.1c00039 BindingDB Entry DOI: 10.7270/Q20K2CMV
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50538703 (CHEMBL4645141) Show SMILES CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)CCc1cccc(c1)-c1nc2c(N)ncnc2[nH]1 Show InChI InChI=1S/C22H20N8O2S/c1-30(10-15-26-14-7-8-33-18(14)22(32)27-15)16(31)6-5-12-3-2-4-13(9-12)20-28-17-19(23)24-11-25-21(17)29-20/h2-4,7-9,11H,5-6,10H2,1H3,(H,26,27,32)(H3,23,24,25,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3B expressed in baculovirus infected insect cells by DRONE assay				ACS Med Chem Lett 11: 971-976 (2020) Article DOI: 10.1021/acsmedchemlett.0c00011 BindingDB Entry DOI: 10.7270/Q2H998QH
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448354 (Perampanel, 9) Show SMILES CCCOc1cc(Cl)cc(c1)C1C=C(C(=O)N(C1=O)c1cncnc1)c1ccccc1C#N |c:13| Show InChI InChI=1S/C25H19ClN4O3/c1-2-7-33-20-9-17(8-18(26)10-20)22-11-23(21-6-4-3-5-16(21)12-27)25(32)30(24(22)31)19-13-28-15-29-14-19/h3-6,8-11,13-15,22H,2,7H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yale University					Assay Description Inhibition of proteolytic activity was tested using recombinant SARS-CoV-2Mpro, which was expressed and purified as previously described.8,12 For the...				ACS Cent Sci (2021) Article DOI: 10.1021/acscentsci.1c00039 BindingDB Entry DOI: 10.7270/Q20K2CMV
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448347 (Perampanel, 3) Show SMILES Clc1cccc(c1)C1C=C(C(=O)N(C1=O)c1cccnc1)c1c[nH]c(=O)[nH]c1=O |c:9| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	6.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yale University					Assay Description Inhibition of proteolytic activity was tested using recombinant SARS-CoV-2Mpro, which was expressed and purified as previously described.8,12 For the...				ACS Cent Sci (2021) Article DOI: 10.1021/acscentsci.1c00039 BindingDB Entry DOI: 10.7270/Q20K2CMV
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50538703 (CHEMBL4645141) Show SMILES CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)CCc1cccc(c1)-c1nc2c(N)ncnc2[nH]1 Show InChI InChI=1S/C22H20N8O2S/c1-30(10-15-26-14-7-8-33-18(14)22(32)27-15)16(31)6-5-12-3-2-4-13(9-12)20-28-17-19(23)24-11-25-21(17)29-20/h2-4,7-9,11H,5-6,10H2,1H3,(H,26,27,32)(H3,23,24,25,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3B expressed in baculovirus infected insect cells using CpG site containing internally quenched hairpin oligonucl...				ACS Med Chem Lett 11: 971-976 (2020) Article DOI: 10.1021/acsmedchemlett.0c00011 BindingDB Entry DOI: 10.7270/Q2H998QH
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448335 (Perampanel, 2) Show SMILES Clc1cccc(c1)C1C=C(C(=O)N(C1=O)c1cccnc1)c1ccccc1C#N |c:9| Show InChI InChI=1S/C23H14ClN3O2/c24-17-7-3-6-15(11-17)20-12-21(19-9-2-1-5-16(19)13-25)23(29)27(22(20)28)18-8-4-10-26-14-18/h1-12,14,20H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	9.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yale University					Assay Description Inhibition of proteolytic activity was tested using recombinant SARS-CoV-2Mpro, which was expressed and purified as previously described.8,12 For the...				ACS Cent Sci (2021) Article DOI: 10.1021/acscentsci.1c00039 BindingDB Entry DOI: 10.7270/Q20K2CMV
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50538702 (CHEMBL4634562) Show SMILES CN(Cc1ccc2cn[nH]c2c1)C(=O)CCc1cccc(c1)-c1nc2c(N)ncnc2[nH]1 Show InChI InChI=1S/C23H22N8O/c1-31(12-15-5-7-17-11-27-30-18(17)10-15)19(32)8-6-14-3-2-4-16(9-14)22-28-20-21(24)25-13-26-23(20)29-22/h2-5,7,9-11,13H,6,8,12H2,1H3,(H,27,30)(H3,24,25,26,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3B expressed in baculovirus infected insect cells using CpG site containing internally quenched hairpin oligonucl...				ACS Med Chem Lett 11: 971-976 (2020) Article DOI: 10.1021/acsmedchemlett.0c00011 BindingDB Entry DOI: 10.7270/Q2H998QH
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50538701 (CHEMBL4647360) Show SMILES CN(Cc1cccnc1)C(=O)CCc1cccc(c1)-c1nc2c(N)ncnc2[nH]1 Show InChI InChI=1S/C21H21N7O/c1-28(12-15-5-3-9-23-11-15)17(29)8-7-14-4-2-6-16(10-14)20-26-18-19(22)24-13-25-21(18)27-20/h2-6,9-11,13H,7-8,12H2,1H3,(H3,22,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3B expressed in baculovirus infected insect cells using CpG site containing internally quenched hairpin oligonucl...				ACS Med Chem Lett 11: 971-976 (2020) Article DOI: 10.1021/acsmedchemlett.0c00011 BindingDB Entry DOI: 10.7270/Q2H998QH
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50538691 (CHEMBL4640870) Show SMILES O=C(CSc1ncnc2sccc12)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 Show InChI InChI=1S/C19H18N6O2S3/c26-15-9-13(22-19-25(15)6-8-29-19)10-23-2-4-24(5-3-23)16(27)11-30-18-14-1-7-28-17(14)20-12-21-18/h1,6-9,12H,2-5,10-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3B expressed in baculovirus infected insect cells using CpG site containing internally quenched hairpin oligonucl...				ACS Med Chem Lett 11: 971-976 (2020) Article DOI: 10.1021/acsmedchemlett.0c00011 BindingDB Entry DOI: 10.7270/Q2H998QH
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50538695 (CHEMBL4642475) Show SMILES CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1nc(no1)-c1ccncc1 Show InChI InChI=1S/C20H18N6O3/c1-26(12-16-22-15-5-3-2-4-14(15)20(28)23-16)18(27)7-6-17-24-19(25-29-17)13-8-10-21-11-9-13/h2-5,8-11H,6-7,12H2,1H3,(H,22,23,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3B expressed in baculovirus infected insect cells using CpG site containing internally quenched hairpin oligonucl...				ACS Med Chem Lett 11: 971-976 (2020) Article DOI: 10.1021/acsmedchemlett.0c00011 BindingDB Entry DOI: 10.7270/Q2H998QH
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM50538691 (CHEMBL4640870) Show SMILES O=C(CSc1ncnc2sccc12)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 Show InChI InChI=1S/C19H18N6O2S3/c26-15-9-13(22-19-25(15)6-8-29-19)10-23-2-4-24(5-3-23)16(27)11-30-18-14-1-7-28-17(14)20-12-21-18/h1,6-9,12H,2-5,10-11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT1 expressed in baculovirus infected insect cells using CpG site containing internally quenched hairpin oligonucle...				ACS Med Chem Lett 11: 971-976 (2020) Article DOI: 10.1021/acsmedchemlett.0c00011 BindingDB Entry DOI: 10.7270/Q2H998QH
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50538700 (CHEMBL4647309) Show SMILES CN(Cc1nc2ccccc2[nH]1)C(=O)CCc1cccc(c1)-c1nc2c(N)ncnc2[nH]1 Show InChI InChI=1S/C23H22N8O/c1-31(12-18-27-16-7-2-3-8-17(16)28-18)19(32)10-9-14-5-4-6-15(11-14)22-29-20-21(24)25-13-26-23(20)30-22/h2-8,11,13H,9-10,12H2,1H3,(H,27,28)(H3,24,25,26,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3B expressed in baculovirus infected insect cells using CpG site containing internally quenched hairpin oligonucl...				ACS Med Chem Lett 11: 971-976 (2020) Article DOI: 10.1021/acsmedchemlett.0c00011 BindingDB Entry DOI: 10.7270/Q2H998QH
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM50538692 (CHEMBL4649221) Show SMILES Cc1ccc2C(=O)C(CN(CC(=O)Nc3ccc4OCOc4c3)c2n1)c1nc(no1)-c1cccc(F)c1 Show InChI InChI=1S/C26H20FN5O5/c1-14-5-7-18-23(34)19(26-30-24(31-37-26)15-3-2-4-16(27)9-15)11-32(25(18)28-14)12-22(33)29-17-6-8-20-21(10-17)36-13-35-20/h2-10,19H,11-13H2,1H3,(H,29,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT1 expressed in baculovirus infected insect cells using CpG site containing internally quenched hairpin oligonucle...				ACS Med Chem Lett 11: 971-976 (2020) Article DOI: 10.1021/acsmedchemlett.0c00011 BindingDB Entry DOI: 10.7270/Q2H998QH
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50538696 (CHEMBL4642377) Show SMILES C[C@@H](NC(=O)c1cccc(CN2CCCC2=O)c1)c1ccc(cc1)-n1ccnc1 |r| Show InChI InChI=1S/C23H24N4O2/c1-17(19-7-9-21(10-8-19)27-13-11-24-16-27)25-23(29)20-5-2-4-18(14-20)15-26-12-3-6-22(26)28/h2,4-5,7-11,13-14,16-17H,3,6,12,15H2,1H3,(H,25,29)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3B expressed in baculovirus infected insect cells using CpG site containing internally quenched hairpin oligonucl...				ACS Med Chem Lett 11: 971-976 (2020) Article DOI: 10.1021/acsmedchemlett.0c00011 BindingDB Entry DOI: 10.7270/Q2H998QH
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50538699 (CHEMBL4637965) Show SMILES CN(Cc1ccc2cc[nH]c2c1)C(=O)CCc1cccc(c1)-c1nc2c(N)ncnc2[nH]1 Show InChI InChI=1S/C24H23N7O/c1-31(13-16-5-7-17-9-10-26-19(17)12-16)20(32)8-6-15-3-2-4-18(11-15)23-29-21-22(25)27-14-28-24(21)30-23/h2-5,7,9-12,14,26H,6,8,13H2,1H3,(H3,25,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3B expressed in baculovirus infected insect cells using CpG site containing internally quenched hairpin oligonucl...				ACS Med Chem Lett 11: 971-976 (2020) Article DOI: 10.1021/acsmedchemlett.0c00011 BindingDB Entry DOI: 10.7270/Q2H998QH
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50538694 (CHEMBL4647111) Show SMILES Cn1c(SCC(=O)Nc2ccc(Cl)c(c2)C(O)=O)nnc1-c1ccncc1 Show InChI InChI=1S/C17H14ClN5O3S/c1-23-15(10-4-6-19-7-5-10)21-22-17(23)27-9-14(24)20-11-2-3-13(18)12(8-11)16(25)26/h2-8H,9H2,1H3,(H,20,24)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3B expressed in baculovirus infected insect cells using CpG site containing internally quenched hairpin oligonucl...				ACS Med Chem Lett 11: 971-976 (2020) Article DOI: 10.1021/acsmedchemlett.0c00011 BindingDB Entry DOI: 10.7270/Q2H998QH
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50538697 (CHEMBL4641323) Show SMILES Cc1nccc(n1)-c1cccc(NS(=O)(=O)c2cc(cc(C)c2C)C(O)=O)c1 Show InChI InChI=1S/C20H19N3O4S/c1-12-9-16(20(24)25)11-19(13(12)2)28(26,27)23-17-6-4-5-15(10-17)18-7-8-21-14(3)22-18/h4-11,23H,1-3H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3B expressed in baculovirus infected insect cells using CpG site containing internally quenched hairpin oligonucl...				ACS Med Chem Lett 11: 971-976 (2020) Article DOI: 10.1021/acsmedchemlett.0c00011 BindingDB Entry DOI: 10.7270/Q2H998QH
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50538693 (CHEMBL4632355) Show SMILES Cc1nccc(n1)-c1cccc(NS(=O)(=O)c2cc(ccc2C)C(O)=O)c1 Show InChI InChI=1S/C19H17N3O4S/c1-12-6-7-15(19(23)24)11-18(12)27(25,26)22-16-5-3-4-14(10-16)17-8-9-20-13(2)21-17/h3-11,22H,1-2H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3B expressed in baculovirus infected insect cells using CpG site containing internally quenched hairpin oligonucl...				ACS Med Chem Lett 11: 971-976 (2020) Article DOI: 10.1021/acsmedchemlett.0c00011 BindingDB Entry DOI: 10.7270/Q2H998QH
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50538698 (CHEMBL4644275) Show SMILES Fc1cccc(F)c1CC(=O)NCCC(=O)Nc1ccncc1 Show InChI InChI=1S/C16H15F2N3O2/c17-13-2-1-3-14(18)12(13)10-16(23)20-9-6-15(22)21-11-4-7-19-8-5-11/h1-5,7-8H,6,9-10H2,(H,20,23)(H,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3B expressed in baculovirus infected insect cells using CpG site containing internally quenched hairpin oligonucl...				ACS Med Chem Lett 11: 971-976 (2020) Article DOI: 10.1021/acsmedchemlett.0c00011 BindingDB Entry DOI: 10.7270/Q2H998QH
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50184410 (CHEBI:71013 | E-2007 | E2007 | ER-155055-90 | Fyco...) Show SMILES O=c1c(cc(cn1-c1ccccc1)-c1ccccn1)-c1ccccc1C#N Show InChI InChI=1S/C23H15N3O/c24-15-17-8-4-5-11-20(17)21-14-18(22-12-6-7-13-25-22)16-26(23(21)27)19-9-2-1-3-10-19/h1-14,16H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	1.75E+5	n/a	n/a	n/a	n/a	n/a	n/a
Yale University					Assay Description Inhibition of proteolytic activity was tested using recombinant SARS-CoV-2Mpro, which was expressed and purified as previously described.8,12 For the...				ACS Cent Sci (2021) Article DOI: 10.1021/acscentsci.1c00039 BindingDB Entry DOI: 10.7270/Q20K2CMV
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM429505 (Remdesivir | US20240034730, Compound Remdesivir | ...) Show SMILES CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)Oc1ccccc1 Show InChI InChI=1S/C27H35N6O8P/c1-4-18(5-2)13-38-26(36)17(3)32-42(37,41-19-9-7-6-8-10-19)39-14-21-23(34)24(35)27(15-28,40-21)22-12-11-20-25(29)30-16-31-33(20)22/h6-12,16-18,21,23-24,34-35H,4-5,13-14H2,1-3H3,(H,32,37)(H2,29,30,31)/t17-,21+,23+,24+,27-,42-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article	n/a	n/a	n/a	n/a	770	n/a	n/a	n/a	n/a
Yale University					Assay Description Vero-E6 cells were seeded at 4 x 10E5 cells/well in 12-well plates and infected for 1 hour with the SARS-CoV-2 isolate USA-WA1/2020 at an MOI of 0.01...				ACS Cent Sci (2021) Article DOI: 10.1021/acscentsci.1c00039 BindingDB Entry DOI: 10.7270/Q20K2CMV
					More data for this Ligand-Target Pair

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