Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with all data for entry = 50000777   

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
Procathepsin L (Homo sapiens (Human))	BDBM50260364 (CHEMBL4065603) Show SMILES [H][C@@]1(O[C@@H]1CCCCCCC)C(OC(=O)c1ccc(I)cc1)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C24H34INO4/c1-2-3-4-5-9-12-20-21(29-20)22(23(27)26-19-10-7-6-8-11-19)30-24(28)17-13-15-18(25)16-14-17/h13-16,19-22H,2-12H2,1H3,(H,26,27)/t20-,21+,22?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of S£o Carlos Curated by ChEMBL					Assay Description Inhibition of Varicella-Zoster virus DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes at 26 ...				Bioorg Med Chem 25: 4620-4627 (2017) Article DOI: 10.1016/j.bmc.2017.06.048 BindingDB Entry DOI: 10.7270/Q24T6MV2
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50260366 (CHEMBL4065391) Show SMILES CCCCCCCC1OC1C(OC(=O)c1ccc(I)cc1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C24H34INO4/c1-2-3-4-5-9-12-20-21(29-20)22(23(27)26-19-10-7-6-8-11-19)30-24(28)17-13-15-18(25)16-14-17/h13-16,19-22H,2-12H2,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of S£o Carlos Curated by ChEMBL					Assay Description Inhibition of human delta DNA polymerase (95 uL) activity in a solution containg 6.4 mM HEPES (pH 7.5) upon incubation for 12 minutes at 26 degrees C...				Bioorg Med Chem 25: 4620-4627 (2017) Article DOI: 10.1016/j.bmc.2017.06.048 BindingDB Entry DOI: 10.7270/Q24T6MV2
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50260366 (CHEMBL4065391) Show SMILES CCCCCCCC1OC1C(OC(=O)c1ccc(I)cc1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C24H34INO4/c1-2-3-4-5-9-12-20-21(29-20)22(23(27)26-19-10-7-6-8-11-19)30-24(28)17-13-15-18(25)16-14-17/h13-16,19-22H,2-12H2,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of S£o Carlos Curated by ChEMBL					Assay Description Inhibition of human cytomegalovirus DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes at 26 d...				Bioorg Med Chem 25: 4620-4627 (2017) Article DOI: 10.1016/j.bmc.2017.06.048 BindingDB Entry DOI: 10.7270/Q24T6MV2
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50260366 (CHEMBL4065391) Show SMILES CCCCCCCC1OC1C(OC(=O)c1ccc(I)cc1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C24H34INO4/c1-2-3-4-5-9-12-20-21(29-20)22(23(27)26-19-10-7-6-8-11-19)30-24(28)17-13-15-18(25)16-14-17/h13-16,19-22H,2-12H2,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of S£o Carlos Curated by ChEMBL					Assay Description Inhibition of human cytomegalovirus DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes at 26 d...				Bioorg Med Chem 25: 4620-4627 (2017) Article DOI: 10.1016/j.bmc.2017.06.048 BindingDB Entry DOI: 10.7270/Q24T6MV2
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50260366 (CHEMBL4065391) Show SMILES CCCCCCCC1OC1C(OC(=O)c1ccc(I)cc1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C24H34INO4/c1-2-3-4-5-9-12-20-21(29-20)22(23(27)26-19-10-7-6-8-11-19)30-24(28)17-13-15-18(25)16-14-17/h13-16,19-22H,2-12H2,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of S£o Carlos Curated by ChEMBL					Assay Description Inhibition of herpes simplex virus type 1 DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes a...				Bioorg Med Chem 25: 4620-4627 (2017) Article DOI: 10.1016/j.bmc.2017.06.048 BindingDB Entry DOI: 10.7270/Q24T6MV2
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50260364 (CHEMBL4065603) Show SMILES [H][C@@]1(O[C@@H]1CCCCCCC)C(OC(=O)c1ccc(I)cc1)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C24H34INO4/c1-2-3-4-5-9-12-20-21(29-20)22(23(27)26-19-10-7-6-8-11-19)30-24(28)17-13-15-18(25)16-14-17/h13-16,19-22H,2-12H2,1H3,(H,26,27)/t20-,21+,22?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of S£o Carlos Curated by ChEMBL					Assay Description Inhibition of human alpha DNA polymerase (95 uL) activity in a solution containg 6.4 mM HEPES (pH 7.5) upon incubation for 12 minutes at 26 degrees C...				Bioorg Med Chem 25: 4620-4627 (2017) Article DOI: 10.1016/j.bmc.2017.06.048 BindingDB Entry DOI: 10.7270/Q24T6MV2
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50260364 (CHEMBL4065603) Show SMILES [H][C@@]1(O[C@@H]1CCCCCCC)C(OC(=O)c1ccc(I)cc1)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C24H34INO4/c1-2-3-4-5-9-12-20-21(29-20)22(23(27)26-19-10-7-6-8-11-19)30-24(28)17-13-15-18(25)16-14-17/h13-16,19-22H,2-12H2,1H3,(H,26,27)/t20-,21+,22?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of S£o Carlos Curated by ChEMBL					Assay Description Inhibition of human cytomegalovirus DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes at 26 d...				Bioorg Med Chem 25: 4620-4627 (2017) Article DOI: 10.1016/j.bmc.2017.06.048 BindingDB Entry DOI: 10.7270/Q24T6MV2
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50260364 (CHEMBL4065603) Show SMILES [H][C@@]1(O[C@@H]1CCCCCCC)C(OC(=O)c1ccc(I)cc1)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C24H34INO4/c1-2-3-4-5-9-12-20-21(29-20)22(23(27)26-19-10-7-6-8-11-19)30-24(28)17-13-15-18(25)16-14-17/h13-16,19-22H,2-12H2,1H3,(H,26,27)/t20-,21+,22?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of S£o Carlos Curated by ChEMBL					Assay Description Inhibition of herpes simplex virus type 1 DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes a...				Bioorg Med Chem 25: 4620-4627 (2017) Article DOI: 10.1016/j.bmc.2017.06.048 BindingDB Entry DOI: 10.7270/Q24T6MV2
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50260364 (CHEMBL4065603) Show SMILES [H][C@@]1(O[C@@H]1CCCCCCC)C(OC(=O)c1ccc(I)cc1)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C24H34INO4/c1-2-3-4-5-9-12-20-21(29-20)22(23(27)26-19-10-7-6-8-11-19)30-24(28)17-13-15-18(25)16-14-17/h13-16,19-22H,2-12H2,1H3,(H,26,27)/t20-,21+,22?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of S£o Carlos Curated by ChEMBL					Assay Description Inhibition of Varicella-Zoster virus DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes at 26 ...				Bioorg Med Chem 25: 4620-4627 (2017) Article DOI: 10.1016/j.bmc.2017.06.048 BindingDB Entry DOI: 10.7270/Q24T6MV2
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50260364 (CHEMBL4065603) Show SMILES [H][C@@]1(O[C@@H]1CCCCCCC)C(OC(=O)c1ccc(I)cc1)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C24H34INO4/c1-2-3-4-5-9-12-20-21(29-20)22(23(27)26-19-10-7-6-8-11-19)30-24(28)17-13-15-18(25)16-14-17/h13-16,19-22H,2-12H2,1H3,(H,26,27)/t20-,21+,22?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of S£o Carlos Curated by ChEMBL					Assay Description Inhibition of herpes simplex virus type 1 DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes a...				Bioorg Med Chem 25: 4620-4627 (2017) Article DOI: 10.1016/j.bmc.2017.06.048 BindingDB Entry DOI: 10.7270/Q24T6MV2
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50260364 (CHEMBL4065603) Show SMILES [H][C@@]1(O[C@@H]1CCCCCCC)C(OC(=O)c1ccc(I)cc1)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C24H34INO4/c1-2-3-4-5-9-12-20-21(29-20)22(23(27)26-19-10-7-6-8-11-19)30-24(28)17-13-15-18(25)16-14-17/h13-16,19-22H,2-12H2,1H3,(H,26,27)/t20-,21+,22?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of S£o Carlos Curated by ChEMBL					Assay Description Inhibition of human delta DNA polymerase (95 uL) activity in a solution containg 6.4 mM HEPES (pH 7.5) upon incubation for 12 minutes at 26 degrees C...				Bioorg Med Chem 25: 4620-4627 (2017) Article DOI: 10.1016/j.bmc.2017.06.048 BindingDB Entry DOI: 10.7270/Q24T6MV2
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50260367 (CHEMBL4102075) Show SMILES [H][C@@]1(O[C@@H]1c1ccccc1[N+]([O-])=O)C(OC(=O)CCCCCBr)C(=O)NCCCCCCCC |r| Show InChI InChI=1S/C24H35BrN2O6/c1-2-3-4-5-6-12-17-26-24(29)23(32-20(28)15-8-7-11-16-25)22-21(33-22)18-13-9-10-14-19(18)27(30)31/h9-10,13-14,21-23H,2-8,11-12,15-17H2,1H3,(H,26,29)/t21-,22+,23?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of S£o Carlos Curated by ChEMBL					Assay Description Inhibition of human cytomegalovirus DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes at 26 d...				Bioorg Med Chem 25: 4620-4627 (2017) Article DOI: 10.1016/j.bmc.2017.06.048 BindingDB Entry DOI: 10.7270/Q24T6MV2
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50260364 (CHEMBL4065603) Show SMILES [H][C@@]1(O[C@@H]1CCCCCCC)C(OC(=O)c1ccc(I)cc1)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C24H34INO4/c1-2-3-4-5-9-12-20-21(29-20)22(23(27)26-19-10-7-6-8-11-19)30-24(28)17-13-15-18(25)16-14-17/h13-16,19-22H,2-12H2,1H3,(H,26,27)/t20-,21+,22?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of S£o Carlos Curated by ChEMBL					Assay Description Inhibition of Varicella-Zoster virus DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes at 26 ...				Bioorg Med Chem 25: 4620-4627 (2017) Article DOI: 10.1016/j.bmc.2017.06.048 BindingDB Entry DOI: 10.7270/Q24T6MV2
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50260364 (CHEMBL4065603) Show SMILES [H][C@@]1(O[C@@H]1CCCCCCC)C(OC(=O)c1ccc(I)cc1)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C24H34INO4/c1-2-3-4-5-9-12-20-21(29-20)22(23(27)26-19-10-7-6-8-11-19)30-24(28)17-13-15-18(25)16-14-17/h13-16,19-22H,2-12H2,1H3,(H,26,27)/t20-,21+,22?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of S£o Carlos Curated by ChEMBL					Assay Description Inhibition of human cytomegalovirus DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes at 26 d...				Bioorg Med Chem 25: 4620-4627 (2017) Article DOI: 10.1016/j.bmc.2017.06.048 BindingDB Entry DOI: 10.7270/Q24T6MV2
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50260364 (CHEMBL4065603) Show SMILES [H][C@@]1(O[C@@H]1CCCCCCC)C(OC(=O)c1ccc(I)cc1)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C24H34INO4/c1-2-3-4-5-9-12-20-21(29-20)22(23(27)26-19-10-7-6-8-11-19)30-24(28)17-13-15-18(25)16-14-17/h13-16,19-22H,2-12H2,1H3,(H,26,27)/t20-,21+,22?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of S£o Carlos Curated by ChEMBL					Assay Description Inhibition of human cytomegalovirus DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes at 26 d...				Bioorg Med Chem 25: 4620-4627 (2017) Article DOI: 10.1016/j.bmc.2017.06.048 BindingDB Entry DOI: 10.7270/Q24T6MV2
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50260365 (CHEMBL4096825) Show SMILES [H][C@@]1(O[C@@H]1CCCCCCC)C(OC(=O)c1ccccc1)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C22H33NO4/c1-5-6-7-8-12-15-17-18(26-17)19(20(24)23-22(2,3)4)27-21(25)16-13-10-9-11-14-16/h9-11,13-14,17-19H,5-8,12,15H2,1-4H3,(H,23,24)/t17-,18+,19?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of S£o Carlos Curated by ChEMBL					Assay Description Inhibition of Varicella-Zoster virus DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes at 26 ...				Bioorg Med Chem 25: 4620-4627 (2017) Article DOI: 10.1016/j.bmc.2017.06.048 BindingDB Entry DOI: 10.7270/Q24T6MV2
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50260364 (CHEMBL4065603) Show SMILES [H][C@@]1(O[C@@H]1CCCCCCC)C(OC(=O)c1ccc(I)cc1)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C24H34INO4/c1-2-3-4-5-9-12-20-21(29-20)22(23(27)26-19-10-7-6-8-11-19)30-24(28)17-13-15-18(25)16-14-17/h13-16,19-22H,2-12H2,1H3,(H,26,27)/t20-,21+,22?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.69E+4	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of S£o Carlos Curated by ChEMBL					Assay Description Inhibition of human cytomegalovirus DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes at 26 d...				Bioorg Med Chem 25: 4620-4627 (2017) Article DOI: 10.1016/j.bmc.2017.06.048 BindingDB Entry DOI: 10.7270/Q24T6MV2
					More data for this Ligand-Target Pair