Compile Data Set for Download or QSAR

Found 249 hits with Last Name = 'liu' and Initial = 'gy'   

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
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50268509 (CHEMBL495623 | N-[3-(3-(3,4-Dichlorophenoxy)phenyl...) Show SMILES [O-]P([O-])(=O)CC(=O)NCCCc1cccc(Oc2ccc(Cl)c(Cl)c2)c1 Show InChI InChI=1S/C17H18Cl2NO5P/c18-15-7-6-14(10-16(15)19)25-13-5-1-3-12(9-13)4-2-8-20-17(21)11-26(22,23)24/h1,3,5-7,9-10H,2,4,8,11H2,(H,20,21)(H2,22,23,24)/p-2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus histidine tagged dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectropho...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50268510 (CHEMBL495624 | N-[3-(3-Phenoxyphenyl)propyl]phosph...) Show SMILES [O-]P([O-])(=O)CC(=O)NCCCc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C17H20NO5P/c19-17(13-24(20,21)22)18-11-5-7-14-6-4-10-16(12-14)23-15-8-2-1-3-9-15/h1-4,6,8-10,12H,5,7,11,13H2,(H,18,19)(H2,20,21,22)/p-2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus histidine tagged dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectropho...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50268511 (CHEMBL497634 | N-[3-(3-(4-Chlorophenoxy)phenyl)pro...) Show SMILES [O-]P([O-])(=O)CC(=O)NCCCc1cccc(Oc2ccc(Cl)cc2)c1 Show InChI InChI=1S/C17H19ClNO5P/c18-14-6-8-15(9-7-14)24-16-5-1-3-13(11-16)4-2-10-19-17(20)12-25(21,22)23/h1,3,5-9,11H,2,4,10,12H2,(H,19,20)(H2,21,22,23)/p-2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus histidine tagged dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectropho...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50268512 (3-(3-Phenoxyphenyl)propylphosphinylmethylphosphoni...) Show SMILES [O-]P([O-])(=O)CP([O-])(=O)CCCCc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C17H22O6P2/c18-24(19,14-25(20,21)22)12-5-4-7-15-8-6-11-17(13-15)23-16-9-2-1-3-10-16/h1-3,6,8-11,13H,4-5,7,12,14H2,(H,18,19)(H2,20,21,22)/p-3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus histidine tagged dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectropho...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50268627 (CHEMBL496801 | N-Hydroxy-2-phosphono-5-(3-phenoxyp...) Show SMILES ONC(=O)C(CCCc1cccc(Oc2ccccc2)c1)P([O-])([O-])=O Show InChI InChI=1S/C17H20NO6P/c19-17(18-20)16(25(21,22)23)11-5-7-13-6-4-10-15(12-13)24-14-8-2-1-3-9-14/h1-4,6,8-10,12,16,20H,5,7,11H2,(H,18,19)(H2,21,22,23)/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50268562 (CHEMBL497616 | N-Hydroxy-N-[3-(3-(3,4-dichlorophen...) Show SMILES ON(CCCc1cccc(Oc2ccc(Cl)c(Cl)c2)c1)C(=O)CP([O-])([O-])=O Show InChI InChI=1S/C17H18Cl2NO6P/c18-15-7-6-14(10-16(15)19)26-13-5-1-3-12(9-13)4-2-8-20(22)17(21)11-27(23,24)25/h1,3,5-7,9-10,22H,2,4,8,11H2,(H2,23,24,25)/p-2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus histidine tagged dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectropho...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50268563 (CHEMBL497617 | N-Hydroxy-N-[3-(3-phenoxyphenyl)pro...) Show SMILES ON(CCCc1cccc(Oc2ccccc2)c1)C(=O)CP([O-])([O-])=O Show InChI InChI=1S/C17H20NO6P/c19-17(13-25(21,22)23)18(20)11-5-7-14-6-4-10-16(12-14)24-15-8-2-1-3-9-15/h1-4,6,8-10,12,20H,5,7,11,13H2,(H2,21,22,23)/p-2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus histidine tagged dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectropho...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50268625 (CHEMBL447414 | N-[3-(3-Phenoxyphenyl)propyl]phosph...) Show SMILES CC(C)(C(=O)NCCCc1cccc(Oc2ccccc2)c1)P([O-])([O-])=O Show InChI InChI=1S/C19H24NO5P/c1-19(2,26(22,23)24)18(21)20-13-7-9-15-8-6-12-17(14-15)25-16-10-4-3-5-11-16/h3-6,8,10-12,14H,7,9,13H2,1-2H3,(H,20,21)(H2,22,23,24)/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50268510 (CHEMBL495624 | N-[3-(3-Phenoxyphenyl)propyl]phosph...) Show SMILES [O-]P([O-])(=O)CC(=O)NCCCc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C17H20NO5P/c19-17(13-24(20,21)22)18-11-5-7-14-6-4-10-16(12-14)23-15-8-2-1-3-9-15/h1-4,6,8-10,12H,5,7,11,13H2,(H,18,19)(H2,20,21,22)/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50268509 (CHEMBL495623 | N-[3-(3-(3,4-Dichlorophenoxy)phenyl...) Show SMILES [O-]P([O-])(=O)CC(=O)NCCCc1cccc(Oc2ccc(Cl)c(Cl)c2)c1 Show InChI InChI=1S/C17H18Cl2NO5P/c18-15-7-6-14(10-16(15)19)25-13-5-1-3-12(9-13)4-2-8-20-17(21)11-26(22,23)24/h1,3,5-7,9-10H,2,4,8,11H2,(H,20,21)(H2,22,23,24)/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50268564 (CHEMBL497815 | N-[3-(4-Biphenyl)propyl]phosphonoac...) Show SMILES OP(O)(=O)CC(=O)NCCCc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C17H20NO4P/c19-17(13-23(20,21)22)18-12-4-5-14-8-10-16(11-9-14)15-6-2-1-3-7-15/h1-3,6-11H,4-5,12-13H2,(H,18,19)(H2,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus histidine tagged dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectropho...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50268565 (CHEMBL497410 | N-[3-(3-Phenoxyphenyl)propyl]sulfoa...) Show SMILES OS(=O)(=O)CC(=O)NCCCc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C17H19NO5S/c19-17(13-24(20,21)22)18-11-5-7-14-6-4-10-16(12-14)23-15-8-2-1-3-9-15/h1-4,6,8-10,12H,5,7,11,13H2,(H,18,19)(H,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents	Article PubMed	810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus histidine tagged dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectropho...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50268566 (CHEMBL497618 | N-Methyl-N-[3-(3-phenoxyphenyl)prop...) Show SMILES CN(CCCc1cccc(Oc2ccccc2)c1)C(=O)CP([O-])([O-])=O Show InChI InChI=1S/C18H22NO5P/c1-19(18(20)14-25(21,22)23)12-6-8-15-7-5-11-17(13-15)24-16-9-3-2-4-10-16/h2-5,7,9-11,13H,6,8,12,14H2,1H3,(H2,21,22,23)/p-2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus histidine tagged dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectropho...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50268625 (CHEMBL447414 | N-[3-(3-Phenoxyphenyl)propyl]phosph...) Show SMILES CC(C)(C(=O)NCCCc1cccc(Oc2ccccc2)c1)P([O-])([O-])=O Show InChI InChI=1S/C19H24NO5P/c1-19(2,26(22,23)24)18(21)20-13-7-9-15-8-6-12-17(14-15)25-16-10-4-3-5-11-16/h3-6,8,10-12,14H,7,9,13H2,1-2H3,(H,20,21)(H2,22,23,24)/p-2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus histidine tagged dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectropho...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50268566 (CHEMBL497618 | N-Methyl-N-[3-(3-phenoxyphenyl)prop...) Show SMILES CN(CCCc1cccc(Oc2ccccc2)c1)C(=O)CP([O-])([O-])=O Show InChI InChI=1S/C18H22NO5P/c1-19(18(20)14-25(21,22)23)12-6-8-15-7-5-11-17(13-15)24-16-9-3-2-4-10-16/h2-5,7,9-11,13H,6,8,12,14H2,1H3,(H2,21,22,23)/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50268511 (CHEMBL497634 | N-[3-(3-(4-Chlorophenoxy)phenyl)pro...) Show SMILES [O-]P([O-])(=O)CC(=O)NCCCc1cccc(Oc2ccc(Cl)cc2)c1 Show InChI InChI=1S/C17H19ClNO5P/c18-14-6-8-15(9-7-14)24-16-5-1-3-13(11-16)4-2-10-19-17(20)12-25(21,22)23/h1,3,5-9,11H,2,4,10,12H2,(H,19,20)(H2,21,22,23)/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50268626 (CHEMBL524084 | N-[2-(3-Phenoxyphenyl)ethyl]phospho...) Show SMILES [O-]P([O-])(=O)CC(=O)NCCc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C16H18NO5P/c18-16(12-23(19,20)21)17-10-9-13-5-4-8-15(11-13)22-14-6-2-1-3-7-14/h1-8,11H,9-10,12H2,(H,17,18)(H2,19,20,21)/p-2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus histidine tagged dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectropho...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50268562 (CHEMBL497616 | N-Hydroxy-N-[3-(3-(3,4-dichlorophen...) Show SMILES ON(CCCc1cccc(Oc2ccc(Cl)c(Cl)c2)c1)C(=O)CP([O-])([O-])=O Show InChI InChI=1S/C17H18Cl2NO6P/c18-15-7-6-14(10-16(15)19)26-13-5-1-3-12(9-13)4-2-8-20(22)17(21)11-27(23,24)25/h1,3,5-7,9-10,22H,2,4,8,11H2,(H2,23,24,25)/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50268627 (CHEMBL496801 | N-Hydroxy-2-phosphono-5-(3-phenoxyp...) Show SMILES ONC(=O)C(CCCc1cccc(Oc2ccccc2)c1)P([O-])([O-])=O Show InChI InChI=1S/C17H20NO6P/c19-17(18-20)16(25(21,22)23)11-5-7-13-6-4-10-15(12-13)24-14-8-2-1-3-9-14/h1-4,6,8-10,12,16,20H,5,7,11H2,(H,18,19)(H2,21,22,23)/p-2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus histidine tagged dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectropho...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50268628 (CHEMBL496802 | N-[4-(3-Phenoxyphenyl)butyl]phospho...) Show SMILES [O-]P([O-])(=O)CC(=O)NCCCCc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C18H22NO5P/c20-18(14-25(21,22)23)19-12-5-4-7-15-8-6-11-17(13-15)24-16-9-2-1-3-10-16/h1-3,6,8-11,13H,4-5,7,12,14H2,(H,19,20)(H2,21,22,23)/p-2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus histidine tagged dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectropho...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50268629 (3-(3-Phenoxyphenyl)propyl Phosphonoacetate Dipotas...) Show SMILES [O-]P([O-])(=O)CC(=O)OCCCc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C17H19O6P/c18-17(13-24(19,20)21)22-11-5-7-14-6-4-10-16(12-14)23-15-8-2-1-3-9-15/h1-4,6,8-10,12H,5,7,11,13H2,(H2,19,20,21)/p-2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus histidine tagged dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectropho...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50268626 (CHEMBL524084 | N-[2-(3-Phenoxyphenyl)ethyl]phospho...) Show SMILES [O-]P([O-])(=O)CC(=O)NCCc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C16H18NO5P/c18-16(12-23(19,20)21)17-10-9-13-5-4-8-15(11-13)22-14-6-2-1-3-7-14/h1-8,11H,9-10,12H2,(H,17,18)(H2,19,20,21)/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50268678 (CHEMBL525377 | N-Hydroxy-N-[3-(4-methylbiphenyl)pr...) Show SMILES Cc1ccc(cc1)-c1ccc(CCCN(O)C(=O)CP(O)(O)=O)cc1 Show InChI InChI=1S/C18H22NO5P/c1-14-4-8-16(9-5-14)17-10-6-15(7-11-17)3-2-12-19(21)18(20)13-25(22,23)24/h4-11,21H,2-3,12-13H2,1H3,(H2,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus histidine tagged dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectropho...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50268679 (CHEMBL523897 | N-[3-(3-Phenoxyphenyl)propyl]phosph...) Show SMILES [O-]C(=O)CC(=O)NCCCc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C18H19NO4/c20-17(13-18(21)22)19-11-5-7-14-6-4-10-16(12-14)23-15-8-2-1-3-9-15/h1-4,6,8-10,12H,5,7,11,13H2,(H,19,20)(H,21,22)/p-1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents	Article PubMed	>7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus histidine tagged dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectropho...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50268677 (CHEMBL498628 | N-[3-(3-Phenoxyphenyl)propyl]phosph...) Show SMILES [O-]P([O-])(=O)CS(=O)(=O)NCCCc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C16H20NO6PS/c18-24(19,20)13-25(21,22)17-11-5-7-14-6-4-10-16(12-14)23-15-8-2-1-3-9-15/h1-4,6,8-10,12,17H,5,7,11,13H2,(H2,18,19,20)/p-2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus histidine tagged dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectropho...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50268676 (2-Oxo-6-(4-phenoxyphenyl)hexylphosphonic Acid Dipo...) Show SMILES [O-]P([O-])(=O)CC(=O)CCCCc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C18H21O5P/c19-16(14-24(20,21)22)9-5-4-7-15-8-6-12-18(13-15)23-17-10-2-1-3-11-17/h1-3,6,8,10-13H,4-5,7,9,14H2,(H2,20,21,22)/p-2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus histidine tagged dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectropho...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50268676 (2-Oxo-6-(4-phenoxyphenyl)hexylphosphonic Acid Dipo...) Show SMILES [O-]P([O-])(=O)CC(=O)CCCCc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C18H21O5P/c19-16(14-24(20,21)22)9-5-4-7-15-8-6-12-18(13-15)23-17-10-2-1-3-11-17/h1-3,6,8,10-13H,4-5,7,9,14H2,(H2,20,21,22)/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50268628 (CHEMBL496802 | N-[4-(3-Phenoxyphenyl)butyl]phospho...) Show SMILES [O-]P([O-])(=O)CC(=O)NCCCCc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C18H22NO5P/c20-18(14-25(21,22)23)19-12-5-4-7-15-8-6-11-17(13-15)24-16-9-2-1-3-10-16/h1-3,6,8-11,13H,4-5,7,12,14H2,(H,19,20)(H2,21,22,23)/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50268565 (CHEMBL497410 | N-[3-(3-Phenoxyphenyl)propyl]sulfoa...) Show SMILES OS(=O)(=O)CC(=O)NCCCc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C17H19NO5S/c19-17(13-24(20,21)22)18-11-5-7-14-6-4-10-16(12-14)23-15-8-2-1-3-9-15/h1-4,6,8-10,12H,5,7,11,13H2,(H,18,19)(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50268564 (CHEMBL497815 | N-[3-(4-Biphenyl)propyl]phosphonoac...) Show SMILES OP(O)(=O)CC(=O)NCCCc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C17H20NO4P/c19-17(13-23(20,21)22)18-12-4-5-14-8-10-16(11-9-14)15-6-2-1-3-7-15/h1-3,6-11H,4-5,12-13H2,(H,18,19)(H2,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50268679 (CHEMBL523897 | N-[3-(3-Phenoxyphenyl)propyl]phosph...) Show SMILES [O-]C(=O)CC(=O)NCCCc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C18H19NO4/c20-17(13-18(21)22)19-11-5-7-14-6-4-10-16(12-14)23-15-8-2-1-3-9-15/h1-4,6,8-10,12H,5,7,11,13H2,(H,19,20)(H,21,22)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50268512 (3-(3-Phenoxyphenyl)propylphosphinylmethylphosphoni...) Show SMILES [O-]P([O-])(=O)CP([O-])(=O)CCCCc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C17H22O6P2/c18-24(19,14-25(20,21)22)12-5-4-7-15-8-6-11-17(13-15)23-16-9-2-1-3-10-16/h1-3,6,8-11,13H,4-5,7,12,14H2,(H,18,19)(H2,20,21,22)/p-3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50268677 (CHEMBL498628 | N-[3-(3-Phenoxyphenyl)propyl]phosph...) Show SMILES [O-]P([O-])(=O)CS(=O)(=O)NCCCc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C16H20NO6PS/c18-24(19,20)13-25(21,22)17-11-5-7-14-6-4-10-16(12-14)23-15-8-2-1-3-9-15/h1-4,6,8-10,12,17H,5,7,11,13H2,(H2,18,19,20)/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50268678 (CHEMBL525377 | N-Hydroxy-N-[3-(4-methylbiphenyl)pr...) Show SMILES Cc1ccc(cc1)-c1ccc(CCCN(O)C(=O)CP(O)(O)=O)cc1 Show InChI InChI=1S/C18H22NO5P/c1-14-4-8-16(9-5-14)17-10-6-15(7-11-17)3-2-12-19(21)18(20)13-25(22,23)24/h4-11,21H,2-3,12-13H2,1H3,(H2,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50268629 (3-(3-Phenoxyphenyl)propyl Phosphonoacetate Dipotas...) Show SMILES [O-]P([O-])(=O)CC(=O)OCCCc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C17H19O6P/c18-17(13-24(19,20)21)22-11-5-7-14-6-4-10-16(12-14)23-15-8-2-1-3-9-15/h1-4,6,8-10,12H,5,7,11,13H2,(H2,19,20,21)/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50268563 (CHEMBL497617 | N-Hydroxy-N-[3-(3-phenoxyphenyl)pro...) Show SMILES ON(CCCc1cccc(Oc2ccccc2)c1)C(=O)CP([O-])([O-])=O Show InChI InChI=1S/C17H20NO6P/c19-17(13-25(21,22)23)18(20)11-5-7-14-6-4-10-16(12-14)24-15-8-2-1-3-9-15/h1-4,6,8-10,12,20H,5,7,11,13H2,(H2,21,22,23)/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50467352 (CHEMBL4294193) Show SMILES Cl.Cc1cc(C)c(Nc2nc(Cl)nc(Nc3ccc(nc3)C#N)n2)c(C)c1 Show InChI InChI=1S/C18H16ClN7/c1-10-6-11(2)15(12(3)7-10)23-18-25-16(19)24-17(26-18)22-14-5-4-13(8-20)21-9-14/h4-7,9H,1-3H3,(H2,22,23,24,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.124	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan Institute of Technology Curated by ChEMBL					Assay Description Inhibition of CXCR4 tropic HIV1 3B reverse transcriptase infected in human TZM-bl cells				Eur J Med Chem 158: 371-392 (2018) Article DOI: 10.1016/j.ejmech.2018.09.013 BindingDB Entry DOI: 10.7270/Q2V98BRH
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50467341 (CHEMBL4294624) Show SMILES Cl.Cc1cc(C)c(Nc2nc(N)nc(Nc3ccc(nc3)C#N)n2)c(C)c1 Show InChI InChI=1S/C18H18N8/c1-10-6-11(2)15(12(3)7-10)23-18-25-16(20)24-17(26-18)22-14-5-4-13(8-19)21-9-14/h4-7,9H,1-3H3,(H4,20,22,23,24,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.131	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan Institute of Technology Curated by ChEMBL					Assay Description Inhibition of CXCR4 tropic HIV1 3B reverse transcriptase infected in human TZM-bl cells				Eur J Med Chem 158: 371-392 (2018) Article DOI: 10.1016/j.ejmech.2018.09.013 BindingDB Entry DOI: 10.7270/Q2V98BRH
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50467341 (CHEMBL4294624) Show SMILES Cl.Cc1cc(C)c(Nc2nc(N)nc(Nc3ccc(nc3)C#N)n2)c(C)c1 Show InChI InChI=1S/C18H18N8/c1-10-6-11(2)15(12(3)7-10)23-18-25-16(20)24-17(26-18)22-14-5-4-13(8-19)21-9-14/h4-7,9H,1-3H3,(H4,20,22,23,24,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.183	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan Institute of Technology Curated by ChEMBL					Assay Description Inhibition of CCR5 tropic HIV1 VB59 reverse transcriptase infected in human TZM-bl cells				Eur J Med Chem 158: 371-392 (2018) Article DOI: 10.1016/j.ejmech.2018.09.013 BindingDB Entry DOI: 10.7270/Q2V98BRH
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50467341 (CHEMBL4294624) Show SMILES Cl.Cc1cc(C)c(Nc2nc(N)nc(Nc3ccc(nc3)C#N)n2)c(C)c1 Show InChI InChI=1S/C18H18N8/c1-10-6-11(2)15(12(3)7-10)23-18-25-16(20)24-17(26-18)22-14-5-4-13(8-19)21-9-14/h4-7,9H,1-3H3,(H4,20,22,23,24,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.183	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan Institute of Technology Curated by ChEMBL					Assay Description Inhibition of CCR5 tropic HIV1 ADA5 reverse transcriptase infected in human TZM-bl cells				Eur J Med Chem 158: 371-392 (2018) Article DOI: 10.1016/j.ejmech.2018.09.013 BindingDB Entry DOI: 10.7270/Q2V98BRH
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50467352 (CHEMBL4294193) Show SMILES Cl.Cc1cc(C)c(Nc2nc(Cl)nc(Nc3ccc(nc3)C#N)n2)c(C)c1 Show InChI InChI=1S/C18H16ClN7/c1-10-6-11(2)15(12(3)7-10)23-18-25-16(19)24-17(26-18)22-14-5-4-13(8-20)21-9-14/h4-7,9H,1-3H3,(H2,22,23,24,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.273	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan Institute of Technology Curated by ChEMBL					Assay Description Inhibition of CCR5 tropic HIV1 ADA5 reverse transcriptase infected in human TZM-bl cells				Eur J Med Chem 158: 371-392 (2018) Article DOI: 10.1016/j.ejmech.2018.09.013 BindingDB Entry DOI: 10.7270/Q2V98BRH
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50467332 (CHEMBL70517) Show SMILES Cc1cc(cc(C)c1Nc1nc(Nc2ccc(cc2)C#N)ncc1Br)C#N Show InChI InChI=1S/C20H15BrN6/c1-12-7-15(10-23)8-13(2)18(12)26-19-17(21)11-24-20(27-19)25-16-5-3-14(9-22)4-6-16/h3-8,11H,1-2H3,(H2,24,25,26,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 LAI reverse transcriptase infected in human MT4 cells assessed as protection against virus-induced cytopathic effect by MTT assay				Eur J Med Chem 158: 371-392 (2018) Article DOI: 10.1016/j.ejmech.2018.09.013 BindingDB Entry DOI: 10.7270/Q2V98BRH
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50467332 (CHEMBL70517) Show SMILES Cc1cc(cc(C)c1Nc1nc(Nc2ccc(cc2)C#N)ncc1Br)C#N Show InChI InChI=1S/C20H15BrN6/c1-12-7-15(10-23)8-13(2)18(12)26-19-17(21)11-24-20(27-19)25-16-5-3-14(9-22)4-6-16/h3-8,11H,1-2H3,(H2,24,25,26,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant infected in human MT4 cells assessed as protection against virus-induced cytopathic effect by M...				Eur J Med Chem 158: 371-392 (2018) Article DOI: 10.1016/j.ejmech.2018.09.013 BindingDB Entry DOI: 10.7270/Q2V98BRH
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50467349 (CHEMBL70442) Show SMILES Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)C#N Show InChI InChI=1S/C20H16N6/c1-13-9-16(12-22)10-14(2)19(13)25-18-7-8-23-20(26-18)24-17-5-3-15(11-21)4-6-17/h3-10H,1-2H3,(H2,23,24,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 LAI reverse transcriptase infected in human MT4 cells assessed as protection against virus-induced cytopathic effect by MTT assay				Eur J Med Chem 158: 371-392 (2018) Article DOI: 10.1016/j.ejmech.2018.09.013 BindingDB Entry DOI: 10.7270/Q2V98BRH
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50467352 (CHEMBL4294193) Show SMILES Cl.Cc1cc(C)c(Nc2nc(Cl)nc(Nc3ccc(nc3)C#N)n2)c(C)c1 Show InChI InChI=1S/C18H16ClN7/c1-10-6-11(2)15(12(3)7-10)23-18-25-16(19)24-17(26-18)22-14-5-4-13(8-20)21-9-14/h4-7,9H,1-3H3,(H2,22,23,24,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.497	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan Institute of Technology Curated by ChEMBL					Assay Description Inhibition of CCR5 tropic HIV1 VB59 reverse transcriptase infected in human TZM-bl cells				Eur J Med Chem 158: 371-392 (2018) Article DOI: 10.1016/j.ejmech.2018.09.013 BindingDB Entry DOI: 10.7270/Q2V98BRH
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50467326 (CHEMBL69890) Show SMILES Cc1cc(cc(C)c1Nc1nc(Nc2ccc(cc2)C#N)ncc1C#N)C#N Show InChI InChI=1S/C21H15N7/c1-13-7-16(10-23)8-14(2)19(13)27-20-17(11-24)12-25-21(28-20)26-18-5-3-15(9-22)4-6-18/h3-8,12H,1-2H3,(H2,25,26,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 LAI reverse transcriptase infected in human MT4 cells assessed as protection against virus-induced cytopathic effect by MTT assay				Eur J Med Chem 158: 371-392 (2018) Article DOI: 10.1016/j.ejmech.2018.09.013 BindingDB Entry DOI: 10.7270/Q2V98BRH
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50467341 (CHEMBL4294624) Show SMILES Cl.Cc1cc(C)c(Nc2nc(N)nc(Nc3ccc(nc3)C#N)n2)c(C)c1 Show InChI InChI=1S/C18H18N8/c1-10-6-11(2)15(12(3)7-10)23-18-25-16(20)24-17(26-18)22-14-5-4-13(8-19)21-9-14/h4-7,9H,1-3H3,(H4,20,22,23,24,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.784	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan Institute of Technology Curated by ChEMBL					Assay Description Inhibition of CXCR4 tropic HIV1 UG070 reverse transcriptase infected in human TZM-bl cells				Eur J Med Chem 158: 371-392 (2018) Article DOI: 10.1016/j.ejmech.2018.09.013 BindingDB Entry DOI: 10.7270/Q2V98BRH
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50467345 (CHEMBL308004) Show SMILES Cc1cnc(Nc2ccc(cc2)C#N)nc1Nc1c(C)cc(cc1C)C#N Show InChI InChI=1S/C21H18N6/c1-13-8-17(11-23)9-14(2)19(13)26-20-15(3)12-24-21(27-20)25-18-6-4-16(10-22)5-7-18/h4-9,12H,1-3H3,(H2,24,25,26,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 LAI reverse transcriptase infected in human MT4 cells assessed as protection against virus-induced cytopathic effect by MTT assay				Eur J Med Chem 158: 371-392 (2018) Article DOI: 10.1016/j.ejmech.2018.09.013 BindingDB Entry DOI: 10.7270/Q2V98BRH
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50467337 (CHEMBL312764) Show SMILES Cc1cc(cc(C)c1Nc1nc(Nc2ccc(cc2)C#N)ncc1Cl)C#N Show InChI InChI=1S/C20H15ClN6/c1-12-7-15(10-23)8-13(2)18(12)26-19-17(21)11-24-20(27-19)25-16-5-3-14(9-22)4-6-16/h3-8,11H,1-2H3,(H2,24,25,26,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant infected in human MT4 cells assessed as protection against virus-induced cytopathic effect by M...				Eur J Med Chem 158: 371-392 (2018) Article DOI: 10.1016/j.ejmech.2018.09.013 BindingDB Entry DOI: 10.7270/Q2V98BRH
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50467329 (CHEMBL74239) Show SMILES Nc1cc(Cc2c(Cl)cccc2Cl)nc(Nc2ccc(cc2)C#N)n1 Show InChI InChI=1S/C18H13Cl2N5/c19-15-2-1-3-16(20)14(15)8-13-9-17(22)25-18(24-13)23-12-6-4-11(10-21)5-7-12/h1-7,9H,8H2,(H3,22,23,24,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 LAI reverse transcriptase infected in human MT4 cells assessed as protection against virus-induced cytopathic effect by MTT assay				Eur J Med Chem 158: 371-392 (2018) Article DOI: 10.1016/j.ejmech.2018.09.013 BindingDB Entry DOI: 10.7270/Q2V98BRH
					More data for this Ligand-Target Pair

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