Compile Data Set for Download or QSAR

Found 99 hits with Last Name = 'geraghty' and Initial = 'rj'   

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
Integrase (Human immunodeficiency virus 1)	BDBM25351 (N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydr...) Show SMILES Cc1nnc(o1)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C Show InChI InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00203 BindingDB Entry DOI: 10.7270/Q2X352JX
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50601257 (CHEMBL5178276) Show SMILES CC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)c2ccc3ccccc3c2)[C@@H](O)[C@H]1O |r| Show InChI	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	48	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00265 BindingDB Entry DOI: 10.7270/Q2WD44NH
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50601254 (CHEMBL5190048) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)c2ccc3ccccc3c2)[C@@H](O)[C@H]1O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00265 BindingDB Entry DOI: 10.7270/Q2WD44NH
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50601255 (CHEMBL5172911) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)c2ccc3cccnc3c2)[C@@H](O)[C@H]1O |r| Show InChI	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	69	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00265 BindingDB Entry DOI: 10.7270/Q2WD44NH
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50476539 (CHEMBL437708) Show SMILES Oc1nc(nc(C(=O)NCc2ccccc2)c1O)-c1cccs1 Show InChI InChI=1S/C16H13N3O3S/c20-13-12(15(21)17-9-10-5-2-1-3-6-10)18-14(19-16(13)22)11-7-4-8-23-11/h1-8,20H,9H2,(H,17,21)(H,18,19,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00203 BindingDB Entry DOI: 10.7270/Q2X352JX
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50601258 (CHEMBL5198248) Show SMILES Nc1ncnn2c(ccc12)[C@@H]1O[C@H](CNS(=O)(=O)c2ccc3ccccc3c2)[C@@H](O)[C@H]1O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00265 BindingDB Entry DOI: 10.7270/Q2WD44NH
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50140176 (CHEMBL3394285) Show SMILES ONC(=O)\C=C\c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C10H8F3NO2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(15)14-16/h1-6,16H,(H,14,15)/b6-3+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	183	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of full length N-terminal GST-tagged human HDAC6 expressed in Sf9 cells using (Arg-His-Lys-Lys(Ac)) as substrate by plate reader analysis				Bioorg Med Chem 24: 686-92 (2016) Article DOI: 10.1016/j.bmc.2015.12.035 BindingDB Entry DOI: 10.7270/Q2Q52RG0
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50378739 (SINEFUNGIN | jm2c00120, Sinefungin) Show SMILES N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00265 BindingDB Entry DOI: 10.7270/Q2WD44NH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Replicase polyprotein 1ab (2019-nCoV)	BDBM50601256 (CHEMBL5193934) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)c2ccc3nc(Cl)ccc3c2)[C@@H](O)[C@H]1O |r| Show InChI	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	440	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00265 BindingDB Entry DOI: 10.7270/Q2WD44NH
					More data for this Ligand-Target Pair
Tripartite terminase subunit 3 (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50604814 (CHEMBL5185038) Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1ccc(F)cc1 Show InChI	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	540	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00203 BindingDB Entry DOI: 10.7270/Q2X352JX
					More data for this Ligand-Target Pair
Tripartite terminase subunit 3 (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50604832 (CHEMBL5205946) Show SMILES COc1ccc(CNC(=O)c2nc(C)[nH]c(=O)c2O)cc1 Show InChI	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	590	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00203 BindingDB Entry DOI: 10.7270/Q2X352JX
					More data for this Ligand-Target Pair
Tripartite terminase subunit 3 (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50604819 (CHEMBL204900) Show SMILES OC(=O)c1nc(Cc2ccccc2)nc(O)c1O Show InChI	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	620	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00203 BindingDB Entry DOI: 10.7270/Q2X352JX
					More data for this Ligand-Target Pair
Tripartite terminase subunit 3 (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50604829 (CHEMBL551212) Show SMILES OC(=O)c1nc(Cc2ccc(Cl)c(Cl)c2)nc(O)c1O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00203 BindingDB Entry DOI: 10.7270/Q2X352JX
					More data for this Ligand-Target Pair
Tripartite terminase subunit 3 (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50121880 (CHEMBL216874) Show SMILES Oc1nc(nc(C(=O)NCc2ccc(F)cc2)c1O)-c1cccs1 Show InChI InChI=1S/C16H12FN3O3S/c17-10-5-3-9(4-6-10)8-18-15(22)12-13(21)16(23)20-14(19-12)11-2-1-7-24-11/h1-7,21H,8H2,(H,18,22)(H,19,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00203 BindingDB Entry DOI: 10.7270/Q2X352JX
					More data for this Ligand-Target Pair
Tripartite terminase subunit 3 (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50604822 (CHEMBL1085364) Show SMILES OC(=O)c1nc(Cc2ccc(F)cc2)[nH]c(=O)c1O Show InChI	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	740	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00203 BindingDB Entry DOI: 10.7270/Q2X352JX
					More data for this Ligand-Target Pair
Tripartite terminase subunit 3 (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50604823 (CHEMBL5203198) Show SMILES COC(=O)c1nc(Cc2ccc(F)cc2F)[nH]c(=O)c1O Show InChI	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	760	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00203 BindingDB Entry DOI: 10.7270/Q2X352JX
					More data for this Ligand-Target Pair
Tripartite terminase subunit 3 (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50604817 (CHEMBL5203310) Show SMILES COC(=O)c1nc([nH]c(=O)c1O)-c1ccc(cc1)-c1ccccc1 Show InChI	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	780	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00203 BindingDB Entry DOI: 10.7270/Q2X352JX
					More data for this Ligand-Target Pair
Tripartite terminase subunit 3 (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50604836 (CHEMBL5190900) Show SMILES Oc1c(nc([nH]c1=O)-c1cccs1)C(=O)NCc1ccc(F)c(F)c1 Show InChI	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	790	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00203 BindingDB Entry DOI: 10.7270/Q2X352JX
					More data for this Ligand-Target Pair
Tripartite terminase subunit 3 (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50604813 (CHEMBL5171144) Show SMILES COC(=O)c1nc([nH]c(=O)c1O)-c1ccc(F)cc1 Show InChI	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	860	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00203 BindingDB Entry DOI: 10.7270/Q2X352JX
					More data for this Ligand-Target Pair
Tripartite terminase subunit 3 (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50604827 (CHEMBL5196576) Show SMILES OC(=O)c1nc(Cc2ccc(F)c(F)c2)[nH]c(=O)c1O Show InChI	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	870	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00203 BindingDB Entry DOI: 10.7270/Q2X352JX
					More data for this Ligand-Target Pair
Tripartite terminase subunit 3 (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50121868 (CHEMBL187010) Show SMILES COC(=O)c1nc(nc(O)c1O)-c1cccs1 Show InChI InChI=1S/C10H8N2O4S/c1-16-10(15)6-7(13)9(14)12-8(11-6)5-3-2-4-17-5/h2-4,13H,1H3,(H,11,12,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00203 BindingDB Entry DOI: 10.7270/Q2X352JX
					More data for this Ligand-Target Pair
Tripartite terminase subunit 3 (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50604820 (CHEMBL5184216) Show SMILES Cc1ccc(Cc2nc(C(O)=O)c(O)c(=O)[nH]2)cc1 Show InChI	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	920	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00203 BindingDB Entry DOI: 10.7270/Q2X352JX
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50140176 (CHEMBL3394285) Show SMILES ONC(=O)\C=C\c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C10H8F3NO2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(15)14-16/h1-6,16H,(H,14,15)/b6-3+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	954	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of full length human HDAC8 expressed in Escherichia coli using (Arg-His-Lys(Ac)-Lys(Ac)) as substrate by plate reader analysis				Bioorg Med Chem 24: 686-92 (2016) Article DOI: 10.1016/j.bmc.2015.12.035 BindingDB Entry DOI: 10.7270/Q2Q52RG0
					More data for this Ligand-Target Pair
Tripartite terminase subunit 3 (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50604838 (CHEMBL5172238) Show SMILES Cc1ccc(CNC(=O)c2nc(Cc3ccccc3)[nH]c(=O)c2O)cc1 Show InChI	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	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00203 BindingDB Entry DOI: 10.7270/Q2X352JX
					More data for this Ligand-Target Pair
Tripartite terminase subunit 3 (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50121870 (CHEMBL3617204) Show SMILES COC(=O)c1nc([nH]c(=O)c1O)-c1ccccc1 Show InChI InChI=1S/C12H10N2O4/c1-18-12(17)8-9(15)11(16)14-10(13-8)7-5-3-2-4-6-7/h2-6,15H,1H3,(H,13,14,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00203 BindingDB Entry DOI: 10.7270/Q2X352JX
					More data for this Ligand-Target Pair
Tripartite terminase subunit 3 (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50153250 (5,6-Dihydroxy-2-thiophen-2-yl-pyrimidine-4-carboxy...) Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1cccs1 Show InChI InChI=1S/C9H6N2O4S/c12-6-5(9(14)15)10-7(11-8(6)13)4-2-1-3-16-4/h1-3,12H,(H,14,15)(H,10,11,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00203 BindingDB Entry DOI: 10.7270/Q2X352JX
					More data for this Ligand-Target Pair
Tripartite terminase subunit 3 (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50460242 (CHEMBL4228948) Show SMILES OC(=O)c1nc(Cc2ccc(Cl)cc2)nc(O)c1O Show InChI InChI=1S/C12H9ClN2O4/c13-7-3-1-6(2-4-7)5-8-14-9(12(18)19)10(16)11(17)15-8/h1-4,16H,5H2,(H,18,19)(H,14,15,17)	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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00203 BindingDB Entry DOI: 10.7270/Q2X352JX
					More data for this Ligand-Target Pair
Tripartite terminase subunit 3 (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50604821 (CHEMBL5208893) Show SMILES OC(=O)c1nc(Cc2ccc(O)cc2)[nH]c(=O)c1O Show InChI	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	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00203 BindingDB Entry DOI: 10.7270/Q2X352JX
					More data for this Ligand-Target Pair
Tripartite terminase subunit 3 (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50476511 (CHEMBL232444) Show SMILES Oc1nc(nc(C(=O)NCc2ccc(Cl)cc2)c1O)-c1cccs1 Show InChI InChI=1S/C16H12ClN3O3S/c17-10-5-3-9(4-6-10)8-18-15(22)12-13(21)16(23)20-14(19-12)11-2-1-7-24-11/h1-7,21H,8H2,(H,18,22)(H,19,20,23)	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	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00203 BindingDB Entry DOI: 10.7270/Q2X352JX
					More data for this Ligand-Target Pair
Tripartite terminase subunit 3 (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50604824 (CHEMBL5209461) Show SMILES OC(=O)c1nc(Cc2ccc(F)cc2F)[nH]c(=O)c1O Show InChI	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	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00203 BindingDB Entry DOI: 10.7270/Q2X352JX
					More data for this Ligand-Target Pair
Tripartite terminase subunit 3 (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50476539 (CHEMBL437708) Show SMILES Oc1nc(nc(C(=O)NCc2ccccc2)c1O)-c1cccs1 Show InChI InChI=1S/C16H13N3O3S/c20-13-12(15(21)17-9-10-5-2-1-3-6-10)18-14(19-16(13)22)11-7-4-8-23-11/h1-8,20H,9H2,(H,17,21)(H,18,19,22)	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	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00203 BindingDB Entry DOI: 10.7270/Q2X352JX
					More data for this Ligand-Target Pair
Tripartite terminase subunit 3 (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50183501 (5,6-dihydroxy-2-(3-methyl-2-thienyl)pyrimidine-4-c...) Show SMILES Cc1ccsc1-c1nc(C(O)=O)c(O)c(=O)[nH]1 Show InChI InChI=1S/C10H8N2O4S/c1-4-2-3-17-7(4)8-11-5(10(15)16)6(13)9(14)12-8/h2-3,13H,1H3,(H,15,16)(H,11,12,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00203 BindingDB Entry DOI: 10.7270/Q2X352JX
					More data for this Ligand-Target Pair
Tripartite terminase subunit 3 (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50604818 (CHEMBL5188107) Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1ccc(cc1)-c1ccccc1 Show InChI	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	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00203 BindingDB Entry DOI: 10.7270/Q2X352JX
					More data for this Ligand-Target Pair
Tripartite terminase subunit 3 (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50604830 (CHEMBL5201304) Show SMILES OC(=O)c1nc(Cc2cccs2)[nH]c(=O)c1O Show InChI	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	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00203 BindingDB Entry DOI: 10.7270/Q2X352JX
					More data for this Ligand-Target Pair
Tripartite terminase subunit 3 (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50604834 (CHEMBL5208229) Show SMILES Cc1ccc(CNC(=O)c2nc([nH]c(=O)c2O)-c2ccccc2)cc1 Show InChI	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	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00203 BindingDB Entry DOI: 10.7270/Q2X352JX
					More data for this Ligand-Target Pair
Tripartite terminase subunit 3 (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50476518 (CHEMBL277754) Show SMILES Cc1ccc(CNC(=O)c2nc(nc(O)c2O)-c2cccs2)cc1 Show InChI InChI=1S/C17H15N3O3S/c1-10-4-6-11(7-5-10)9-18-16(22)13-14(21)17(23)20-15(19-13)12-3-2-8-24-12/h2-8,21H,9H2,1H3,(H,18,22)(H,19,20,23)	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	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00203 BindingDB Entry DOI: 10.7270/Q2X352JX
					More data for this Ligand-Target Pair
Tripartite terminase subunit 3 (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50468804 (CHEMBL4284648) Show SMILES COc1cccc(Sc2cc(=O)n(O)c(=O)[nH]2)c1 Show InChI InChI=1S/C11H10N2O4S/c1-17-7-3-2-4-8(5-7)18-9-6-10(14)13(16)11(15)12-9/h2-6,16H,1H3,(H,12,15)	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	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human cytomegalovirus pUL89 endonuclease activity using 60 bp dsDNA substrate incubated for 30 mins by ELISA-based biochemical assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113640 BindingDB Entry DOI: 10.7270/Q2028WBK
					More data for this Ligand-Target Pair
Tripartite terminase subunit 3 (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50604812 (CHEMBL4174171) Show SMILES Cc1nc(C(O)=O)c(O)c(=O)[nH]1 Show InChI	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	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00203 BindingDB Entry DOI: 10.7270/Q2X352JX
					More data for this Ligand-Target Pair
Tripartite terminase subunit 3 (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50604828 (CHEMBL5182790) Show SMILES COC(=O)c1nc(Cc2ccc(Cl)c(Cl)c2)[nH]c(=O)c1O Show InChI	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	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00203 BindingDB Entry DOI: 10.7270/Q2X352JX
					More data for this Ligand-Target Pair
Tripartite terminase subunit 3 (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50533377 (CHEMBL4475877) Show SMILES COc1ccc(c(OC)c1)-c1cccc(Nc2cc(=O)n(O)c(=O)[nH]2)c1 Show InChI InChI=1S/C18H17N3O5/c1-25-13-6-7-14(15(9-13)26-2)11-4-3-5-12(8-11)19-16-10-17(22)21(24)18(23)20-16/h3-10,19,24H,1-2H3,(H,20,23)	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	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00203 BindingDB Entry DOI: 10.7270/Q2X352JX
					More data for this Ligand-Target Pair
Tripartite terminase subunit 3 (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50604831 (CHEMBL5177803) Show SMILES OC(=O)c1nc(Cc2ccsc2)[nH]c(=O)c1O Show InChI	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	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00203 BindingDB Entry DOI: 10.7270/Q2X352JX
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50604819 (CHEMBL204900) Show SMILES OC(=O)c1nc(Cc2ccccc2)nc(O)c1O Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00203 BindingDB Entry DOI: 10.7270/Q2X352JX
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50153250 (5,6-Dihydroxy-2-thiophen-2-yl-pyrimidine-4-carboxy...) Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1cccs1 Show InChI InChI=1S/C9H6N2O4S/c12-6-5(9(14)15)10-7(11-8(6)13)4-2-1-3-16-4/h1-3,12H,(H,14,15)(H,10,11,13)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00203 BindingDB Entry DOI: 10.7270/Q2X352JX
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50601253 (CHEMBL5172081) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNC(=O)c2ccc3ccccc3c2)[C@@H](O)[C@H]1O |r| Show InChI	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	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00265 BindingDB Entry DOI: 10.7270/Q2WD44NH
					More data for this Ligand-Target Pair
Tripartite terminase subunit 3 (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50604815 (CHEMBL1077377) Show SMILES OC(=O)c1nc(nc(O)c1O)-c1ccsc1 Show InChI	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	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00203 BindingDB Entry DOI: 10.7270/Q2X352JX
					More data for this Ligand-Target Pair
Tripartite terminase subunit 3 (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50604833 (CHEMBL5187369) Show SMILES Cc1nc(C(=O)NCc2ccc(Cl)c(Cl)c2)c(O)c(=O)[nH]1 Show InChI	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	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00203 BindingDB Entry DOI: 10.7270/Q2X352JX
					More data for this Ligand-Target Pair
Tripartite terminase subunit 3 (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50604816 (CHEMBL5185724) Show SMILES COC(=O)c1nc([nH]c(=O)c1O)-c1ccco1 Show InChI	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	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00203 BindingDB Entry DOI: 10.7270/Q2X352JX
					More data for this Ligand-Target Pair
Tripartite terminase subunit 3 (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50604835 (CHEMBL5199493) Show SMILES Oc1c(nc([nH]c1=O)-c1cccs1)C(=O)NCc1ccc(cc1)C(F)(F)F Show InChI	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	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00203 BindingDB Entry DOI: 10.7270/Q2X352JX
					More data for this Ligand-Target Pair
Tripartite terminase subunit 3 (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50533401 (CHEMBL4445181) Show SMILES Cc1ccc(cc1)-c1ccc(Nc2cc(=O)n(O)c(=O)n2C)cc1 Show InChI InChI=1S/C18H17N3O3/c1-12-3-5-13(6-4-12)14-7-9-15(10-8-14)19-16-11-17(22)21(24)18(23)20(16)2/h3-11,19,24H,1-2H3	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	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human cytomegalovirus pUL89 endonuclease activity using 60 bp dsDNA substrate incubated for 30 mins by ELISA-based biochemical assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113640 BindingDB Entry DOI: 10.7270/Q2028WBK
					More data for this Ligand-Target Pair
Tripartite terminase subunit 3 (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50571843 (CHEMBL4854031) Show SMILES Cc1ccc(c(C)c1)-c1cccc(Nc2cc(=O)n(O)c(=O)[nH]2)c1 Show InChI	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	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human cytomegalovirus pUL89 endonuclease activity using 60 bp dsDNA substrate incubated for 30 mins by ELISA-based biochemical assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113640 BindingDB Entry DOI: 10.7270/Q2028WBK
					More data for this Ligand-Target Pair

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