Compile Data Set for Download or QSAR

Found 33 hits with Last Name = 'oguin' and Initial = 'th'   

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
Phospholipase D1 (Homo sapiens (Human))	BDBM50427800 (CHEMBL2325485) Show SMILES C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(C)c1)NC(=O)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C24H29BrN4O2/c1-17-4-3-5-21(14-17)29-16-26-23(31)24(29)10-12-28(13-11-24)15-18(2)27-22(30)19-6-8-20(25)9-7-19/h3-9,14,18H,10-13,15-16H2,1-2H3,(H,26,31)(H,27,30)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of PLD1 in human Calu-1 cells assessed as deuterated 1-butanol incorporation pretreated for 5 mins prior to substrate addition measured af...				J Med Chem 56: 2695-9 (2013) Article DOI: 10.1021/jm301782e BindingDB Entry DOI: 10.7270/Q2RJ4KT8
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50206160 (CHEMBL245621 | Halopemide | Halopemide, 8 | N-(2-(...) Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O Show InChI InChI=1S/C21H22ClFN4O2/c22-15-3-6-19-18(13-15)25-21(29)27(19)17-7-10-26(11-8-17)12-9-24-20(28)14-1-4-16(23)5-2-14/h1-6,13,17H,7-12H2,(H,24,28)(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of dopamine receptor D2 (unknown origin)				J Med Chem 56: 2695-9 (2013) Article DOI: 10.1021/jm301782e BindingDB Entry DOI: 10.7270/Q2RJ4KT8
					More data for this Ligand-Target Pair
Phospholipase D1 (Homo sapiens (Human))	BDBM50427802 (CHEMBL2325482) Show SMILES C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(F)c1)NC(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C23H26F2N4O2/c1-16(27-21(30)17-5-7-18(24)8-6-17)14-28-11-9-23(10-12-28)22(31)26-15-29(23)20-4-2-3-19(25)13-20/h2-8,13,16H,9-12,14-15H2,1H3,(H,26,31)(H,27,30)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of PLD1 in human Calu-1 cells assessed as deuterated 1-butanol incorporation pretreated for 5 mins prior to substrate addition measured af...				J Med Chem 56: 2695-9 (2013) Article DOI: 10.1021/jm301782e BindingDB Entry DOI: 10.7270/Q2RJ4KT8
					More data for this Ligand-Target Pair
Phospholipase D2 (Homo sapiens (Human))	BDBM50427800 (CHEMBL2325485) Show SMILES C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(C)c1)NC(=O)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C24H29BrN4O2/c1-17-4-3-5-21(14-17)29-16-26-23(31)24(29)10-12-28(13-11-24)15-18(2)27-22(30)19-6-8-20(25)9-7-19/h3-9,14,18H,10-13,15-16H2,1-2H3,(H,26,31)(H,27,30)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of GFP-tagged PLD2 in human HEK293 cells assessed as deuterated 1-butanol incorporation pretreated for 5 mins prior to substrate addition ...				J Med Chem 56: 2695-9 (2013) Article DOI: 10.1021/jm301782e BindingDB Entry DOI: 10.7270/Q2RJ4KT8
					More data for this Ligand-Target Pair
Phospholipase D2 (Homo sapiens (Human))	BDBM50427802 (CHEMBL2325482) Show SMILES C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(F)c1)NC(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C23H26F2N4O2/c1-16(27-21(30)17-5-7-18(24)8-6-17)14-28-11-9-23(10-12-28)22(31)26-15-29(23)20-4-2-3-19(25)13-20/h2-8,13,16H,9-12,14-15H2,1H3,(H,26,31)(H,27,30)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of GFP-tagged PLD2 in human HEK293 cells assessed as deuterated 1-butanol incorporation pretreated for 5 mins prior to substrate addition ...				J Med Chem 56: 2695-9 (2013) Article DOI: 10.1021/jm301782e BindingDB Entry DOI: 10.7270/Q2RJ4KT8
					More data for this Ligand-Target Pair
Phospholipase D1 (Homo sapiens (Human))	BDBM50427800 (CHEMBL2325485) Show SMILES C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(C)c1)NC(=O)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C24H29BrN4O2/c1-17-4-3-5-21(14-17)29-16-26-23(31)24(29)10-12-28(13-11-24)15-18(2)27-22(30)19-6-8-20(25)9-7-19/h3-9,14,18H,10-13,15-16H2,1-2H3,(H,26,31)(H,27,30)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of PLD1 (unknown origin) assessed as release of [methyl-3H] from [choline-methyl-3H] dipalmitoyl-phosphotidylcholine after 30 mins by liqu...				J Med Chem 56: 2695-9 (2013) Article DOI: 10.1021/jm301782e BindingDB Entry DOI: 10.7270/Q2RJ4KT8
					More data for this Ligand-Target Pair
Phospholipase D1 (Homo sapiens (Human))	BDBM50427805 (CHEMBL2325486) Show SMILES C[C@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(F)c1)NC(=O)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C23H26BrFN4O2/c1-16(27-21(30)17-5-7-18(24)8-6-17)14-28-11-9-23(10-12-28)22(31)26-15-29(23)20-4-2-3-19(25)13-20/h2-8,13,16H,9-12,14-15H2,1H3,(H,26,31)(H,27,30)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of PLD1 in human Calu-1 cells assessed as deuterated 1-butanol incorporation pretreated for 5 mins prior to substrate addition measured af...				J Med Chem 56: 2695-9 (2013) Article DOI: 10.1021/jm301782e BindingDB Entry DOI: 10.7270/Q2RJ4KT8
					More data for this Ligand-Target Pair
Phospholipase D2 (Homo sapiens (Human))	BDBM50427800 (CHEMBL2325485) Show SMILES C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(C)c1)NC(=O)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C24H29BrN4O2/c1-17-4-3-5-21(14-17)29-16-26-23(31)24(29)10-12-28(13-11-24)15-18(2)27-22(30)19-6-8-20(25)9-7-19/h3-9,14,18H,10-13,15-16H2,1-2H3,(H,26,31)(H,27,30)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of PLD2 (unknown origin) assessed as release of [methyl-3H] from [choline-methyl-3H] dipalmitoyl-phosphotidylcholine after 30 mins by liqu...				J Med Chem 56: 2695-9 (2013) Article DOI: 10.1021/jm301782e BindingDB Entry DOI: 10.7270/Q2RJ4KT8
					More data for this Ligand-Target Pair
Phospholipase D1 (Homo sapiens (Human))	BDBM50427804 (CHEMBL2325487) Show SMILES C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(F)c1)NC(=O)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C23H25F3N4O2/c1-15(28-21(31)16-5-6-19(25)20(26)11-16)13-29-9-7-23(8-10-29)22(32)27-14-30(23)18-4-2-3-17(24)12-18/h2-6,11-12,15H,7-10,13-14H2,1H3,(H,27,32)(H,28,31)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of PLD1 in human Calu-1 cells assessed as deuterated 1-butanol incorporation pretreated for 5 mins prior to substrate addition measured af...				J Med Chem 56: 2695-9 (2013) Article DOI: 10.1021/jm301782e BindingDB Entry DOI: 10.7270/Q2RJ4KT8
					More data for this Ligand-Target Pair
Phospholipase D2 (Homo sapiens (Human))	BDBM50427804 (CHEMBL2325487) Show SMILES C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(F)c1)NC(=O)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C23H25F3N4O2/c1-15(28-21(31)16-5-6-19(25)20(26)11-16)13-29-9-7-23(8-10-29)22(32)27-14-30(23)18-4-2-3-17(24)12-18/h2-6,11-12,15H,7-10,13-14H2,1H3,(H,27,32)(H,28,31)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of GFP-tagged PLD2 in human HEK293 cells assessed as deuterated 1-butanol incorporation pretreated for 5 mins prior to substrate addition ...				J Med Chem 56: 2695-9 (2013) Article DOI: 10.1021/jm301782e BindingDB Entry DOI: 10.7270/Q2RJ4KT8
					More data for this Ligand-Target Pair
Phospholipase D2 (Homo sapiens (Human))	BDBM50427806 (CHEMBL2325484) Show SMILES Fc1cccc(c1)N1CNC(=O)C11CCN(CCNC(=O)c2ccc(Br)cc2)CC1 Show InChI InChI=1S/C22H24BrFN4O2/c23-17-6-4-16(5-7-17)20(29)25-10-13-27-11-8-22(9-12-27)21(30)26-15-28(22)19-3-1-2-18(24)14-19/h1-7,14H,8-13,15H2,(H,25,29)(H,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of GFP-tagged PLD2 in human HEK293 cells assessed as deuterated 1-butanol incorporation pretreated for 5 mins prior to substrate addition ...				J Med Chem 56: 2695-9 (2013) Article DOI: 10.1021/jm301782e BindingDB Entry DOI: 10.7270/Q2RJ4KT8
					More data for this Ligand-Target Pair
Phospholipase D1 (Homo sapiens (Human))	BDBM50206160 (CHEMBL245621 | Halopemide | Halopemide, 8 | N-(2-(...) Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O Show InChI InChI=1S/C21H22ClFN4O2/c22-15-3-6-19-18(13-15)25-21(29)27(19)17-7-10-26(11-8-17)12-9-24-20(28)14-1-4-16(23)5-2-14/h1-6,13,17H,7-12H2,(H,24,28)(H,25,29)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of PLD1 (unknown origin)				J Med Chem 56: 2695-9 (2013) Article DOI: 10.1021/jm301782e BindingDB Entry DOI: 10.7270/Q2RJ4KT8
					More data for this Ligand-Target Pair
Phospholipase D2 (Homo sapiens (Human))	BDBM50206160 (CHEMBL245621 | Halopemide | Halopemide, 8 | N-(2-(...) Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O Show InChI InChI=1S/C21H22ClFN4O2/c22-15-3-6-19-18(13-15)25-21(29)27(19)17-7-10-26(11-8-17)12-9-24-20(28)14-1-4-16(23)5-2-14/h1-6,13,17H,7-12H2,(H,24,28)(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of PLD2 (unknown origin)				J Med Chem 56: 2695-9 (2013) Article DOI: 10.1021/jm301782e BindingDB Entry DOI: 10.7270/Q2RJ4KT8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phospholipase D2 (Homo sapiens (Human))	BDBM87131 (4-fluoranyl-N-[2-[1-(3-fluorophenyl)-4-oxidanylide...) Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCC2(CC1)N(CNC2=O)c1cccc(F)c1 Show InChI InChI=1S/C22H24F2N4O2/c23-17-6-4-16(5-7-17)20(29)25-10-13-27-11-8-22(9-12-27)21(30)26-15-28(22)19-3-1-2-18(24)14-19/h1-7,14H,8-13,15H2,(H,25,29)(H,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of GFP-tagged PLD2 in human HEK293 cells assessed as deuterated 1-butanol incorporation pretreated for 5 mins prior to substrate addition ...				J Med Chem 56: 2695-9 (2013) Article DOI: 10.1021/jm301782e BindingDB Entry DOI: 10.7270/Q2RJ4KT8
					More data for this Ligand-Target Pair
Phospholipase D2 (Homo sapiens (Human))	BDBM87123 (3,4-bis(fluoranyl)-N-[2-[1-(3-fluorophenyl)-4-oxid...) Show SMILES Fc1cccc(c1)N1CNC(=O)C11CCN(CCNC(=O)c2ccc(F)c(F)c2)CC1 Show InChI InChI=1S/C22H23F3N4O2/c23-16-2-1-3-17(13-16)29-14-27-21(31)22(29)6-9-28(10-7-22)11-8-26-20(30)15-4-5-18(24)19(25)12-15/h1-5,12-13H,6-11,14H2,(H,26,30)(H,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	355	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of GFP-tagged PLD2 in human HEK293 cells assessed as deuterated 1-butanol incorporation pretreated for 5 mins prior to substrate addition ...				J Med Chem 56: 2695-9 (2013) Article DOI: 10.1021/jm301782e BindingDB Entry DOI: 10.7270/Q2RJ4KT8
					More data for this Ligand-Target Pair
Phospholipase D1 (Homo sapiens (Human))	BDBM50427801 (CHEMBL2325483) Show SMILES C[C@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(F)c1)NC(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C23H26F2N4O2/c1-16(27-21(30)17-5-7-18(24)8-6-17)14-28-11-9-23(10-12-28)22(31)26-15-29(23)20-4-2-3-19(25)13-20/h2-8,13,16H,9-12,14-15H2,1H3,(H,26,31)(H,27,30)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of PLD1 in human Calu-1 cells assessed as deuterated 1-butanol incorporation pretreated for 5 mins prior to substrate addition measured af...				J Med Chem 56: 2695-9 (2013) Article DOI: 10.1021/jm301782e BindingDB Entry DOI: 10.7270/Q2RJ4KT8
					More data for this Ligand-Target Pair
Phospholipase D2 (Homo sapiens (Human))	BDBM50427805 (CHEMBL2325486) Show SMILES C[C@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(F)c1)NC(=O)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C23H26BrFN4O2/c1-16(27-21(30)17-5-7-18(24)8-6-17)14-28-11-9-23(10-12-28)22(31)26-15-29(23)20-4-2-3-19(25)13-20/h2-8,13,16H,9-12,14-15H2,1H3,(H,26,31)(H,27,30)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of GFP-tagged PLD2 in human HEK293 cells assessed as deuterated 1-butanol incorporation pretreated for 5 mins prior to substrate addition ...				J Med Chem 56: 2695-9 (2013) Article DOI: 10.1021/jm301782e BindingDB Entry DOI: 10.7270/Q2RJ4KT8
					More data for this Ligand-Target Pair
Phospholipase D2 (Homo sapiens (Human))	BDBM50427801 (CHEMBL2325483) Show SMILES C[C@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(F)c1)NC(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C23H26F2N4O2/c1-16(27-21(30)17-5-7-18(24)8-6-17)14-28-11-9-23(10-12-28)22(31)26-15-29(23)20-4-2-3-19(25)13-20/h2-8,13,16H,9-12,14-15H2,1H3,(H,26,31)(H,27,30)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of GFP-tagged PLD2 in human HEK293 cells assessed as deuterated 1-butanol incorporation pretreated for 5 mins prior to substrate addition ...				J Med Chem 56: 2695-9 (2013) Article DOI: 10.1021/jm301782e BindingDB Entry DOI: 10.7270/Q2RJ4KT8
					More data for this Ligand-Target Pair
Phospholipase D1 (Homo sapiens (Human))	BDBM50427803 (CHEMBL2325488) Show SMILES C[C@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(F)c1)NC(=O)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C23H25F3N4O2/c1-15(28-21(31)16-5-6-19(25)20(26)11-16)13-29-9-7-23(8-10-29)22(32)27-14-30(23)18-4-2-3-17(24)12-18/h2-6,11-12,15H,7-10,13-14H2,1H3,(H,27,32)(H,28,31)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of PLD1 in human Calu-1 cells assessed as deuterated 1-butanol incorporation pretreated for 5 mins prior to substrate addition measured af...				J Med Chem 56: 2695-9 (2013) Article DOI: 10.1021/jm301782e BindingDB Entry DOI: 10.7270/Q2RJ4KT8
					More data for this Ligand-Target Pair
Phospholipase D1 (Homo sapiens (Human))	BDBM50427806 (CHEMBL2325484) Show SMILES Fc1cccc(c1)N1CNC(=O)C11CCN(CCNC(=O)c2ccc(Br)cc2)CC1 Show InChI InChI=1S/C22H24BrFN4O2/c23-17-6-4-16(5-7-17)20(29)25-10-13-27-11-8-22(9-12-27)21(30)26-15-28(22)19-3-1-2-18(24)14-19/h1-7,14H,8-13,15H2,(H,25,29)(H,26,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of PLD1 in human Calu-1 cells assessed as deuterated 1-butanol incorporation pretreated for 5 mins prior to substrate addition measured af...				J Med Chem 56: 2695-9 (2013) Article DOI: 10.1021/jm301782e BindingDB Entry DOI: 10.7270/Q2RJ4KT8
					More data for this Ligand-Target Pair
Phospholipase D2 (Homo sapiens (Human))	BDBM50427803 (CHEMBL2325488) Show SMILES C[C@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(F)c1)NC(=O)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C23H25F3N4O2/c1-15(28-21(31)16-5-6-19(25)20(26)11-16)13-29-9-7-23(8-10-29)22(32)27-14-30(23)18-4-2-3-17(24)12-18/h2-6,11-12,15H,7-10,13-14H2,1H3,(H,27,32)(H,28,31)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of GFP-tagged PLD2 in human HEK293 cells assessed as deuterated 1-butanol incorporation pretreated for 5 mins prior to substrate addition ...				J Med Chem 56: 2695-9 (2013) Article DOI: 10.1021/jm301782e BindingDB Entry DOI: 10.7270/Q2RJ4KT8
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50427800 (CHEMBL2325485) Show SMILES C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(C)c1)NC(=O)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C24H29BrN4O2/c1-17-4-3-5-21(14-17)29-16-26-23(31)24(29)10-12-28(13-11-24)15-18(2)27-22(30)19-6-8-20(25)9-7-19/h3-9,14,18H,10-13,15-16H2,1-2H3,(H,26,31)(H,27,30)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 56: 2695-9 (2013) Article DOI: 10.1021/jm301782e BindingDB Entry DOI: 10.7270/Q2RJ4KT8
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM87123 (3,4-bis(fluoranyl)-N-[2-[1-(3-fluorophenyl)-4-oxid...) Show SMILES Fc1cccc(c1)N1CNC(=O)C11CCN(CCNC(=O)c2ccc(F)c(F)c2)CC1 Show InChI InChI=1S/C22H23F3N4O2/c23-16-2-1-3-17(13-16)29-14-27-21(31)22(29)6-9-28(10-7-22)11-8-26-20(30)15-4-5-18(24)19(25)12-15/h1-5,12-13H,6-11,14H2,(H,26,30)(H,27,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				J Med Chem 56: 2695-9 (2013) Article DOI: 10.1021/jm301782e BindingDB Entry DOI: 10.7270/Q2RJ4KT8
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50427800 (CHEMBL2325485) Show SMILES C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(C)c1)NC(=O)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C24H29BrN4O2/c1-17-4-3-5-21(14-17)29-16-26-23(31)24(29)10-12-28(13-11-24)15-18(2)27-22(30)19-6-8-20(25)9-7-19/h3-9,14,18H,10-13,15-16H2,1-2H3,(H,26,31)(H,27,30)/t18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				J Med Chem 56: 2695-9 (2013) Article DOI: 10.1021/jm301782e BindingDB Entry DOI: 10.7270/Q2RJ4KT8
					More data for this Ligand-Target Pair
Phospholipase D1 (Homo sapiens (Human))	BDBM87131 (4-fluoranyl-N-[2-[1-(3-fluorophenyl)-4-oxidanylide...) Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCC2(CC1)N(CNC2=O)c1cccc(F)c1 Show InChI InChI=1S/C22H24F2N4O2/c23-17-6-4-16(5-7-17)20(29)25-10-13-27-11-8-22(9-12-27)21(30)26-15-28(22)19-3-1-2-18(24)14-19/h1-7,14H,8-13,15H2,(H,25,29)(H,26,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.18E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of PLD1 in human Calu-1 cells assessed as deuterated 1-butanol incorporation pretreated for 5 mins prior to substrate addition measured af...				J Med Chem 56: 2695-9 (2013) Article DOI: 10.1021/jm301782e BindingDB Entry DOI: 10.7270/Q2RJ4KT8
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50427800 (CHEMBL2325485) Show SMILES C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(C)c1)NC(=O)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C24H29BrN4O2/c1-17-4-3-5-21(14-17)29-16-26-23(31)24(29)10-12-28(13-11-24)15-18(2)27-22(30)19-6-8-20(25)9-7-19/h3-9,14,18H,10-13,15-16H2,1-2H3,(H,26,31)(H,27,30)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				J Med Chem 56: 2695-9 (2013) Article DOI: 10.1021/jm301782e BindingDB Entry DOI: 10.7270/Q2RJ4KT8
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM87123 (3,4-bis(fluoranyl)-N-[2-[1-(3-fluorophenyl)-4-oxid...) Show SMILES Fc1cccc(c1)N1CNC(=O)C11CCN(CCNC(=O)c2ccc(F)c(F)c2)CC1 Show InChI InChI=1S/C22H23F3N4O2/c23-16-2-1-3-17(13-16)29-14-27-21(31)22(29)6-9-28(10-7-22)11-8-26-20(30)15-4-5-18(24)19(25)12-15/h1-5,12-13H,6-11,14H2,(H,26,30)(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.76E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 56: 2695-9 (2013) Article DOI: 10.1021/jm301782e BindingDB Entry DOI: 10.7270/Q2RJ4KT8
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50427800 (CHEMBL2325485) Show SMILES C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(C)c1)NC(=O)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C24H29BrN4O2/c1-17-4-3-5-21(14-17)29-16-26-23(31)24(29)10-12-28(13-11-24)15-18(2)27-22(30)19-6-8-20(25)9-7-19/h3-9,14,18H,10-13,15-16H2,1-2H3,(H,26,31)(H,27,30)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of human ERG				J Med Chem 56: 2695-9 (2013) Article DOI: 10.1021/jm301782e BindingDB Entry DOI: 10.7270/Q2RJ4KT8
					More data for this Ligand-Target Pair
Phospholipase D1 (Homo sapiens (Human))	BDBM87123 (3,4-bis(fluoranyl)-N-[2-[1-(3-fluorophenyl)-4-oxid...) Show SMILES Fc1cccc(c1)N1CNC(=O)C11CCN(CCNC(=O)c2ccc(F)c(F)c2)CC1 Show InChI InChI=1S/C22H23F3N4O2/c23-16-2-1-3-17(13-16)29-14-27-21(31)22(29)6-9-28(10-7-22)11-8-26-20(30)15-4-5-18(24)19(25)12-15/h1-5,12-13H,6-11,14H2,(H,26,30)(H,27,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of PLD1 in human Calu-1 cells assessed as deuterated 1-butanol incorporation pretreated for 5 mins prior to substrate addition measured af...				J Med Chem 56: 2695-9 (2013) Article DOI: 10.1021/jm301782e BindingDB Entry DOI: 10.7270/Q2RJ4KT8
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM87123 (3,4-bis(fluoranyl)-N-[2-[1-(3-fluorophenyl)-4-oxid...) Show SMILES Fc1cccc(c1)N1CNC(=O)C11CCN(CCNC(=O)c2ccc(F)c(F)c2)CC1 Show InChI InChI=1S/C22H23F3N4O2/c23-16-2-1-3-17(13-16)29-14-27-21(31)22(29)6-9-28(10-7-22)11-8-26-20(30)15-4-5-18(24)19(25)12-15/h1-5,12-13H,6-11,14H2,(H,26,30)(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of human ERG				J Med Chem 56: 2695-9 (2013) Article DOI: 10.1021/jm301782e BindingDB Entry DOI: 10.7270/Q2RJ4KT8
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM87123 (3,4-bis(fluoranyl)-N-[2-[1-(3-fluorophenyl)-4-oxid...) Show SMILES Fc1cccc(c1)N1CNC(=O)C11CCN(CCNC(=O)c2ccc(F)c(F)c2)CC1 Show InChI InChI=1S/C22H23F3N4O2/c23-16-2-1-3-17(13-16)29-14-27-21(31)22(29)6-9-28(10-7-22)11-8-26-20(30)15-4-5-18(24)19(25)12-15/h1-5,12-13H,6-11,14H2,(H,26,30)(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				J Med Chem 56: 2695-9 (2013) Article DOI: 10.1021/jm301782e BindingDB Entry DOI: 10.7270/Q2RJ4KT8
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM87123 (3,4-bis(fluoranyl)-N-[2-[1-(3-fluorophenyl)-4-oxid...) Show SMILES Fc1cccc(c1)N1CNC(=O)C11CCN(CCNC(=O)c2ccc(F)c(F)c2)CC1 Show InChI InChI=1S/C22H23F3N4O2/c23-16-2-1-3-17(13-16)29-14-27-21(31)22(29)6-9-28(10-7-22)11-8-26-20(30)15-4-5-18(24)19(25)12-15/h1-5,12-13H,6-11,14H2,(H,26,30)(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				J Med Chem 56: 2695-9 (2013) Article DOI: 10.1021/jm301782e BindingDB Entry DOI: 10.7270/Q2RJ4KT8
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50427800 (CHEMBL2325485) Show SMILES C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(C)c1)NC(=O)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C24H29BrN4O2/c1-17-4-3-5-21(14-17)29-16-26-23(31)24(29)10-12-28(13-11-24)15-18(2)27-22(30)19-6-8-20(25)9-7-19/h3-9,14,18H,10-13,15-16H2,1-2H3,(H,26,31)(H,27,30)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				J Med Chem 56: 2695-9 (2013) Article DOI: 10.1021/jm301782e BindingDB Entry DOI: 10.7270/Q2RJ4KT8
					More data for this Ligand-Target Pair