Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for entry = 50000779   

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
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50000541 ((+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea |...) Show SMILES CC(N(O)C(N)=O)c1cc2ccccc2s1 Show InChI InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Indo-Soviet Friendship College of Pharmacy (ISFCP) 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: 4533-4552 (2017) Article DOI: 10.1016/j.bmc.2017.07.003 BindingDB Entry DOI: 10.7270/Q2125W42
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50000541 ((+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea |...) Show SMILES CC(N(O)C(N)=O)c1cc2ccccc2s1 Show InChI InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Indo-Soviet Friendship College of Pharmacy (ISFCP) 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: 4533-4552 (2017) Article DOI: 10.1016/j.bmc.2017.07.003 BindingDB Entry DOI: 10.7270/Q2125W42
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50260368 (CHEMBL193664) Show SMILES c1nn[nH]c1-c1ccccc1 Show InChI InChI=1S/C8H7N3/c1-2-4-7(5-3-1)8-6-9-11-10-8/h1-6H,(H,9,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.43E+5	n/a	n/a	n/a	n/a	n/a	n/a
Indo-Soviet Friendship College of Pharmacy (ISFCP) 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: 4533-4552 (2017) Article DOI: 10.1016/j.bmc.2017.07.003 BindingDB Entry DOI: 10.7270/Q2125W42
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50240612 (CHEMBL306946 | GNF-PF-2691 | Indolo[2,1-b]quinazol...) Show SMILES O=C1c2ccccc2-n2c1nc1ccccc1c2=O Show InChI InChI=1S/C15H8N2O2/c18-13-10-6-2-4-8-12(10)17-14(13)16-11-7-3-1-5-9(11)15(17)19/h1-8H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Indo-Soviet Friendship College of Pharmacy (ISFCP) 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: 4533-4552 (2017) Article DOI: 10.1016/j.bmc.2017.07.003 BindingDB Entry DOI: 10.7270/Q2125W42
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50240612 (CHEMBL306946 | GNF-PF-2691 | Indolo[2,1-b]quinazol...) Show SMILES O=C1c2ccccc2-n2c1nc1ccccc1c2=O Show InChI InChI=1S/C15H8N2O2/c18-13-10-6-2-4-8-12(10)17-14(13)16-11-7-3-1-5-9(11)15(17)19/h1-8H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Indo-Soviet Friendship College of Pharmacy (ISFCP) 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: 4533-4552 (2017) Article DOI: 10.1016/j.bmc.2017.07.003 BindingDB Entry DOI: 10.7270/Q2125W42
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM21974 ((2S)-2-amino-3-(1H-indol-3-yl)propanoic acid | CHE...) Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	4.99E+5	n/a	n/a	n/a	n/a	n/a	n/a
Indo-Soviet Friendship College of Pharmacy (ISFCP) 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: 4533-4552 (2017) Article DOI: 10.1016/j.bmc.2017.07.003 BindingDB Entry DOI: 10.7270/Q2125W42
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50240612 (CHEMBL306946 | GNF-PF-2691 | Indolo[2,1-b]quinazol...) Show SMILES O=C1c2ccccc2-n2c1nc1ccccc1c2=O Show InChI InChI=1S/C15H8N2O2/c18-13-10-6-2-4-8-12(10)17-14(13)16-11-7-3-1-5-9(11)15(17)19/h1-8H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.99E+5	n/a	n/a	n/a	n/a	n/a	n/a
Indo-Soviet Friendship College of Pharmacy (ISFCP) 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: 4533-4552 (2017) Article DOI: 10.1016/j.bmc.2017.07.003 BindingDB Entry DOI: 10.7270/Q2125W42
					More data for this Ligand-Target Pair