Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50002255   

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
Lanosterol synthase (Homo sapiens (Human))	BDBM50128065 (CHEMBL304858 | CHEMBL324162 | N-allyl-6-(4-(4-brom...) Show SMILES CN(CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1)CC=C Show InChI InChI=1S/C23H27BrFNO2/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Advanced Industrial Science and Technology (AIST) Curated by ChEMBL					Assay Description Inhibition of human C-terminal His6-tagged OSC expressed in Pichia pastoris GS115 using 2,3-oxidosqualene as substrate after 90 mins by 1H NMR method				J Med Chem 61: 5047-5053 (2018) Article DOI: 10.1021/acs.jmedchem.8b00484 BindingDB Entry DOI: 10.7270/Q2NK3HN7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lanosterol synthase (Homo sapiens (Human))	BDBM50456340 (CHEMBL4207987) Show SMILES Cl.Cl.CN(CC=C)Cc1ccc(cc1)N1CCC(CC1)N(C)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H30ClN3O2S/c1-4-15-25(2)18-19-5-9-22(10-6-19)27-16-13-21(14-17-27)26(3)30(28,29)23-11-7-20(24)8-12-23/h4-12,21H,1,13-18H2,2-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Advanced Industrial Science and Technology (AIST) Curated by ChEMBL					Assay Description Inhibition of human C-terminal His6-tagged OSC expressed in Pichia pastoris GS115 using 2,3-oxidosqualene as substrate after 90 mins by 1H NMR method				J Med Chem 61: 5047-5053 (2018) Article DOI: 10.1021/acs.jmedchem.8b00484 BindingDB Entry DOI: 10.7270/Q2NK3HN7
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50456341 (CHEMBL4212932) Show SMILES Cl.CN(C)CCOc1ccc(OC2CCN(CC2)S(=O)(=O)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C21H27FN2O4S/c1-23(2)15-16-27-18-5-7-19(8-6-18)28-20-11-13-24(14-12-20)29(25,26)21-9-3-17(22)4-10-21/h3-10,20H,11-16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Advanced Industrial Science and Technology (AIST) Curated by ChEMBL					Assay Description Inhibition of human C-terminal His6-tagged OSC expressed in Pichia pastoris GS115 using 2,3-oxidosqualene as substrate after 90 mins by 1H NMR method				J Med Chem 61: 5047-5053 (2018) Article DOI: 10.1021/acs.jmedchem.8b00484 BindingDB Entry DOI: 10.7270/Q2NK3HN7
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50456342 (CHEMBL4210513) Show SMILES Cl.Cl.CN(C)Cc1ccc(cc1)N1CCC(CC1)N(C)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H28ClN3O2S/c1-23(2)16-17-4-8-20(9-5-17)25-14-12-19(13-15-25)24(3)28(26,27)21-10-6-18(22)7-11-21/h4-11,19H,12-16H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Advanced Industrial Science and Technology (AIST) Curated by ChEMBL					Assay Description Inhibition of human C-terminal His6-tagged OSC expressed in Pichia pastoris GS115 using 2,3-oxidosqualene as substrate after 90 mins by 1H NMR method				J Med Chem 61: 5047-5053 (2018) Article DOI: 10.1021/acs.jmedchem.8b00484 BindingDB Entry DOI: 10.7270/Q2NK3HN7
					More data for this Ligand-Target Pair