Compile Data Set for Download or QSAR

Found 139 hits with Last Name = 'cho' and Initial = 'ch'   

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))	BDBM87119 ((1R,2R)-N-[(1S)-2-[4-(5-bromo-2-keto-3H-benzimidaz...) Show SMILES C[C@@H](CN1CCC(CC1)n1c2ccc(Br)cc2[nH]c1=O)NC(=O)[C@@H]1C[C@H]1c1ccccc1 Show InChI InChI=1S/C25H29BrN4O2/c1-16(27-24(31)21-14-20(21)17-5-3-2-4-6-17)15-29-11-9-19(10-12-29)30-23-8-7-18(26)13-22(23)28-25(30)32/h2-8,13,16,19-21H,9-12,14-15H2,1H3,(H,27,31)(H,28,32)/t16-,20-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description Cells were seeded into 12-well tissue culture plates to reach 90% confluence at the time of assay. All cell types, aside from the HEK293-gfpPLD2 cell...				ACS Chem Biol 10: 421-32 (2015) Article DOI: 10.1021/cb500828m BindingDB Entry DOI: 10.7270/Q2H70DK8
					More data for this Ligand-Target Pair
Phospholipase D1 (Homo sapiens (Human))	BDBM154517 (ML299 (5)) Show SMILES C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(F)c1)NC(=O)c1ccc(Br)cc1 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-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description Cells were seeded into 12-well tissue culture plates to reach 90% confluence at the time of assay. All cell types, aside from the HEK293-gfpPLD2 cell...				ACS Chem Biol 10: 421-32 (2015) Article DOI: 10.1021/cb500828m BindingDB Entry DOI: 10.7270/Q2H70DK8
					More data for this Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)] (Homo sapiens (Human))	BDBM50347952 (CHEMBL1800139 | US8637558, 11) Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(OCCC2CCCCC2)c(Cl)c1 |w:7.8,t:1| Show InChI InChI=1S/C18H20ClNO3S/c19-14-10-13(11-16-17(21)20-18(22)24-16)6-7-15(14)23-9-8-12-4-2-1-3-5-12/h6-7,10-12H,1-5,8-9H2,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Inhibition of human 15-PGDH expressed in Escherichia coli using PGE2 as substrate and NAD+ as coenzyme assessed as formation of NADH by spectrophotom...				J Med Chem 54: 5260-4 (2011) Article DOI: 10.1021/jm200390u BindingDB Entry DOI: 10.7270/Q2B56K33
					More data for this Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)] (Homo sapiens (Human))	BDBM50347956 (CHEMBL1800143 | US8637558, 32) Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(OCCCC2CCCCC2)c(Cl)c1 |w:7.8,t:1| Show InChI InChI=1S/C19H22ClNO3S/c20-15-11-14(12-17-18(22)21-19(23)25-17)8-9-16(15)24-10-4-7-13-5-2-1-3-6-13/h8-9,11-13H,1-7,10H2,(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Inhibition of human 15-PGDH expressed in Escherichia coli using PGE2 as substrate and NAD+ as coenzyme assessed as formation of NADH by spectrophotom...				J Med Chem 54: 5260-4 (2011) Article DOI: 10.1021/jm200390u BindingDB Entry DOI: 10.7270/Q2B56K33
					More data for this Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)] (Homo sapiens (Human))	BDBM50347953 (CHEMBL1800140 | US8637558, 15) Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(OCCC2CCCCC2)c(Br)c1 |w:7.8,t:1| Show InChI InChI=1S/C18H20BrNO3S/c19-14-10-13(11-16-17(21)20-18(22)24-16)6-7-15(14)23-9-8-12-4-2-1-3-5-12/h6-7,10-12H,1-5,8-9H2,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Inhibition of human 15-PGDH expressed in Escherichia coli using PGE2 as substrate and NAD+ as coenzyme assessed as formation of NADH by spectrophotom...				J Med Chem 54: 5260-4 (2011) Article DOI: 10.1021/jm200390u BindingDB Entry DOI: 10.7270/Q2B56K33
					More data for this Ligand-Target Pair
Phospholipase D2 (Homo sapiens (Human))	BDBM154517 (ML299 (5)) Show SMILES C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(F)c1)NC(=O)c1ccc(Br)cc1 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-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description Cells were seeded into 12-well tissue culture plates to reach 90% confluence at the time of assay. All cell types, aside from the HEK293-gfpPLD2 cell...				ACS Chem Biol 10: 421-32 (2015) Article DOI: 10.1021/cb500828m BindingDB Entry DOI: 10.7270/Q2H70DK8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phospholipase D1 (Homo sapiens (Human))	BDBM87245 (CHEMBL492797 | ML272 | N-(2-(4-(2-Oxo-2,3-dihydro-...) Show SMILES O=C(NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C25H26N4O2/c30-24(20-10-9-18-5-1-2-6-19(18)17-20)26-13-16-28-14-11-21(12-15-28)29-23-8-4-3-7-22(23)27-25(29)31/h1-10,17,21H,11-16H2,(H,26,30)(H,27,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description Cells were seeded into 12-well tissue culture plates to reach 90% confluence at the time of assay. All cell types, aside from the HEK293-gfpPLD2 cell...				ACS Chem Biol 10: 421-32 (2015) Article DOI: 10.1021/cb500828m BindingDB Entry DOI: 10.7270/Q2H70DK8
					More data for this Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)] (Homo sapiens (Human))	BDBM50347957 (CHEMBL1800144 | US8637558, 33) Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(OCCCCC2CCCCC2)c(Cl)c1 |w:7.8,t:1| Show InChI InChI=1S/C20H24ClNO3S/c21-16-12-15(13-18-19(23)22-20(24)26-18)9-10-17(16)25-11-5-4-8-14-6-2-1-3-7-14/h9-10,12-14H,1-8,11H2,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Inhibition of human 15-PGDH expressed in Escherichia coli using PGE2 as substrate and NAD+ as coenzyme assessed as formation of NADH by spectrophotom...				J Med Chem 54: 5260-4 (2011) Article DOI: 10.1021/jm200390u BindingDB Entry DOI: 10.7270/Q2B56K33
					More data for this Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)] (Homo sapiens (Human))	BDBM50347950 (CHEMBL1800138) Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1OCCC1CCCCC1 |w:5.4,c:9| Show InChI InChI=1S/C19H23NO4S/c1-23-16-11-14(12-17-18(21)20-19(22)25-17)7-8-15(16)24-10-9-13-5-3-2-4-6-13/h7-8,11-13H,2-6,9-10H2,1H3,(H,20,21,22)	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	25	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Inhibition of human 15-PGDH expressed in Escherichia coli using PGE2 as substrate and NAD+ as coenzyme assessed as formation of NADH by spectrophotom...				J Med Chem 54: 5260-4 (2011) Article DOI: 10.1021/jm200390u BindingDB Entry DOI: 10.7270/Q2B56K33
					More data for this Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)] (Homo sapiens (Human))	BDBM50347955 (CHEMBL1800142 | US8637558, 31) Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(OCC2CCCCC2)c(Cl)c1 |w:7.8,t:1| Show InChI InChI=1S/C17H18ClNO3S/c18-13-8-12(9-15-16(20)19-17(21)23-15)6-7-14(13)22-10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Inhibition of human 15-PGDH expressed in Escherichia coli using PGE2 as substrate and NAD+ as coenzyme assessed as formation of NADH by spectrophotom...				J Med Chem 54: 5260-4 (2011) Article DOI: 10.1021/jm200390u BindingDB Entry DOI: 10.7270/Q2B56K33
					More data for this Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)] (Homo sapiens (Human))	BDBM50347954 (CHEMBL1800141 | US8637558, 30) Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(OC2CCCCC2)c(Cl)c1 |w:7.8,t:1| Show InChI InChI=1S/C16H16ClNO3S/c17-12-8-10(9-14-15(19)18-16(20)22-14)6-7-13(12)21-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Inhibition of human 15-PGDH expressed in Escherichia coli using PGE2 as substrate and NAD+ as coenzyme assessed as formation of NADH by spectrophotom...				J Med Chem 54: 5260-4 (2011) Article DOI: 10.1021/jm200390u BindingDB Entry DOI: 10.7270/Q2B56K33
					More data for this Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)] (Homo sapiens (Human))	BDBM50347949 (CHEMBL599406 | US8637558, 46) Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(OCCC2CCCCC2)cc1 |w:7.8,t:1| Show InChI InChI=1S/C18H21NO3S/c20-17-16(23-18(21)19-17)12-14-6-8-15(9-7-14)22-11-10-13-4-2-1-3-5-13/h6-9,12-13H,1-5,10-11H2,(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Inhibition of human 15-PGDH expressed in Escherichia coli using PGE2 as substrate and NAD+ as coenzyme assessed as formation of NADH by spectrophotom...				J Med Chem 54: 5260-4 (2011) Article DOI: 10.1021/jm200390u BindingDB Entry DOI: 10.7270/Q2B56K33
					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					Assay Description Cells were seeded into 12-well tissue culture plates to reach 90% confluence at the time of assay. All cell types, aside from the HEK293-gfpPLD2 cell...				ACS Chem Biol 10: 421-32 (2015) Article DOI: 10.1021/cb500828m BindingDB Entry DOI: 10.7270/Q2H70DK8
					More data for this Ligand-Target Pair
Phospholipase D2 (Homo sapiens (Human))	BDBM154518 (ML395 (6)) Show SMILES O=C(NCCN1CCC2(CC1)N(Cc1cccnc1)CNC2=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C26H29N5O2/c32-24(23-8-7-21-5-1-2-6-22(21)16-23)28-12-15-30-13-9-26(10-14-30)25(33)29-19-31(26)18-20-4-3-11-27-17-20/h1-8,11,16-17H,9-10,12-15,18-19H2,(H,28,32)(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description Cells were seeded into 12-well tissue culture plates to reach 90% confluence at the time of assay. All cell types, aside from the HEK293-gfpPLD2 cell...				ACS Chem Biol 10: 421-32 (2015) Article DOI: 10.1021/cb500828m BindingDB Entry DOI: 10.7270/Q2H70DK8
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50338982 ((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...) Show SMILES COc1ccc(CCN(C)CCC[C@@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC |r| Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3/t27-/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description TP_TRANSPORTER: drug resistance (vincristine) in AML-2/D100 cells				Biochem Biophys Res Commun 320: 672-9 (2004) Article DOI: 10.1016/j.bbrc.2004.06.020 BindingDB Entry DOI: 10.7270/Q2891748
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50420207 (CHEMBL2074901) Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C20H20O7/c1-22-12-8-15(23-2)19-13(21)10-14(27-16(19)9-12)11-6-17(24-3)20(26-5)18(7-11)25-4/h6-10H,1-5H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description TP_TRANSPORTER: drug resistance (vincristine) in AML-2/D100 cells				Biochem Biophys Res Commun 320: 672-9 (2004) Article DOI: 10.1016/j.bbrc.2004.06.020 BindingDB Entry DOI: 10.7270/Q2891748
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50420208 (CHEMBL370963) Show SMILES COc1cc(cc(OC)c1OC)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1 Show InChI InChI=1S/C21H22O8/c1-23-15-7-11(8-16(24-2)19(15)26-4)13-9-12(22)18-14(29-13)10-17(25-3)20(27-5)21(18)28-6/h7-10H,1-6H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description TP_TRANSPORTER: drug resistance (vincristine) in AML-2/D100 cells				Biochem Biophys Res Commun 320: 672-9 (2004) Article DOI: 10.1016/j.bbrc.2004.06.020 BindingDB Entry DOI: 10.7270/Q2891748
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50420209 (CHEMBL91153) Show SMILES COc1ccc(cc1OC)-c1cc(=O)c2ccccc2o1 Show InChI InChI=1S/C17H14O4/c1-19-15-8-7-11(9-17(15)20-2)16-10-13(18)12-5-3-4-6-14(12)21-16/h3-10H,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description TP_TRANSPORTER: drug resistance (vincristine) in AML-2/D100 cells				Biochem Biophys Res Commun 320: 672-9 (2004) Article DOI: 10.1016/j.bbrc.2004.06.020 BindingDB Entry DOI: 10.7270/Q2891748
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50420210 (CHEMBL13473) Show SMILES COc1ccc2c(c1)oc(cc2=O)-c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C18H16O5/c1-20-12-5-6-13-14(19)10-16(23-17(13)9-12)11-4-7-15(21-2)18(8-11)22-3/h4-10H,1-3H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description TP_TRANSPORTER: drug resistance (vincristine) in AML-2/D100 cells				Biochem Biophys Res Commun 320: 672-9 (2004) Article DOI: 10.1016/j.bbrc.2004.06.020 BindingDB Entry DOI: 10.7270/Q2891748
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50420211 (TRIMETHYLAPIGENIN) Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(OC)cc(OC)cc2o1 Show InChI InChI=1S/C18H16O5/c1-20-12-6-4-11(5-7-12)15-10-14(19)18-16(22-3)8-13(21-2)9-17(18)23-15/h4-10H,1-3H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE 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
Chosun University Curated by ChEMBL					Assay Description TP_TRANSPORTER: drug resistance (vincristine) in AML-2/D100 cells				Biochem Biophys Res Commun 320: 672-9 (2004) Article DOI: 10.1016/j.bbrc.2004.06.020 BindingDB Entry DOI: 10.7270/Q2891748
					More data for this Ligand-Target Pair
Phospholipase D1 (Homo sapiens (Human))	BDBM87120 (CHEMBL1254577 | N-[2-[1-(3-fluorophenyl)-4-keto-1,...) Show SMILES Fc1cccc(c1)N1CNC(=O)C11CCN(CCNC(=O)c2ccc3ccccc3c2)CC1 Show InChI InChI=1S/C26H27FN4O2/c27-22-6-3-7-23(17-22)31-18-29-25(33)26(31)10-13-30(14-11-26)15-12-28-24(32)21-9-8-19-4-1-2-5-20(19)16-21/h1-9,16-17H,10-15,18H2,(H,28,32)(H,29,33)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description Cells were seeded into 12-well tissue culture plates to reach 90% confluence at the time of assay. All cell types, aside from the HEK293-gfpPLD2 cell...				ACS Chem Biol 10: 421-32 (2015) Article DOI: 10.1021/cb500828m BindingDB Entry DOI: 10.7270/Q2H70DK8
					More data for this Ligand-Target Pair
Phospholipase D2 (Homo sapiens (Human))	BDBM75441 (1-[2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]...) Show SMILES COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C27H27NO2S/c1-29-23-8-6-7-21(19-23)27-26(24-9-2-3-10-25(24)31-27)20-11-13-22(14-12-20)30-18-17-28-15-4-5-16-28/h2-3,6-14,19H,4-5,15-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	7.5	n/a
Vanderbilt University					Assay Description Briefly, PLD activity was measured as the release of free [3H]-choline from [choline-methyl-3H] dipalmitoylphosphatidylcholine ([3H]-DPPC). 3−5...				ACS Chem Biol 10: 421-32 (2015) Article DOI: 10.1021/cb500828m BindingDB Entry DOI: 10.7270/Q2H70DK8
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50420212 (CHEMBL2074919) Show SMILES COc1ccc2oc(-c3ccc(OC)c(OC)c3)c(OC)c(=O)c2c1 Show InChI InChI=1S/C19H18O6/c1-21-12-6-8-14-13(10-12)17(20)19(24-4)18(25-14)11-5-7-15(22-2)16(9-11)23-3/h5-10H,1-4H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description TP_TRANSPORTER: drug resistance (vincristine) in AML-2/D100 cells				Biochem Biophys Res Commun 320: 672-9 (2004) Article DOI: 10.1016/j.bbrc.2004.06.020 BindingDB Entry DOI: 10.7270/Q2891748
					More data for this Ligand-Target Pair
Phospholipase (Pseudomonas aeruginosa (g-Proteobacteria))	BDBM154526 (22B1 (17i)) Show SMILES Oc1ccc(cc1)-c1c(sc2ccccc12)-c1cccc(O)c1 Show InChI InChI=1S/C20H14O2S/c21-15-10-8-13(9-11-15)19-17-6-1-2-7-18(17)23-20(19)14-4-3-5-16(22)12-14/h1-12,21-22H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	7.5	n/a
Vanderbilt University					Assay Description In a 96-black well plate, in a final reaction volume of 200 μL, the following components were combined on ice to yield final concentrations of 5...				ACS Chem Biol 10: 421-32 (2015) Article DOI: 10.1021/cb500828m BindingDB Entry DOI: 10.7270/Q2H70DK8
					More data for this Ligand-Target Pair
Phospholipase D2 (Homo sapiens (Human))	BDBM154519 (Desketoraloxifene (10)) Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1-c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C27H27NO3S/c29-21-8-4-20(5-9-21)27-26(24-13-10-22(30)18-25(24)32-27)19-6-11-23(12-7-19)31-17-16-28-14-2-1-3-15-28/h4-13,18,29-30H,1-3,14-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	7.5	n/a
Vanderbilt University					Assay Description Briefly, PLD activity was measured as the release of free [3H]-choline from [choline-methyl-3H] dipalmitoylphosphatidylcholine ([3H]-DPPC). 3−5...				ACS Chem Biol 10: 421-32 (2015) Article DOI: 10.1021/cb500828m BindingDB Entry DOI: 10.7270/Q2H70DK8
					More data for this Ligand-Target Pair
Phospholipase D2 (Homo sapiens (Human))	BDBM154519 (Desketoraloxifene (10)) Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1-c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C27H27NO3S/c29-21-8-4-20(5-9-21)27-26(24-13-10-22(30)18-25(24)32-27)19-6-11-23(12-7-19)31-17-16-28-14-2-1-3-15-28/h4-13,18,29-30H,1-3,14-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description Cells were seeded into 12-well tissue culture plates to reach 90% confluence at the time of assay. All cell types, aside from the HEK293-gfpPLD2 cell...				ACS Chem Biol 10: 421-32 (2015) Article DOI: 10.1021/cb500828m BindingDB Entry DOI: 10.7270/Q2H70DK8
					More data for this Ligand-Target Pair
Phospholipase D1 (Homo sapiens (Human))	BDBM75442 (2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]phe...) Show SMILES COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN(C)C)cc1 Show InChI InChI=1S/C25H25NO2S/c1-26(2)15-16-28-20-13-11-18(12-14-20)24-22-9-4-5-10-23(22)29-25(24)19-7-6-8-21(17-19)27-3/h4-14,17H,15-16H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	7.5	n/a
Vanderbilt University					Assay Description Briefly, PLD activity was measured as the release of free [3H]-choline from [choline-methyl-3H] dipalmitoylphosphatidylcholine ([3H]-DPPC). 3−5...				ACS Chem Biol 10: 421-32 (2015) Article DOI: 10.1021/cb500828m BindingDB Entry DOI: 10.7270/Q2H70DK8
					More data for this Ligand-Target Pair
Phospholipase D1 (Homo sapiens (Human))	BDBM154524 (23VK (17g)) Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1-c1ccc(OCCN2CCCC2=O)cc1 Show InChI InChI=1S/C26H23NO4S/c28-19-7-3-18(4-8-19)26-25(22-12-9-20(29)16-23(22)32-26)17-5-10-21(11-6-17)31-15-14-27-13-1-2-24(27)30/h3-12,16,28-29H,1-2,13-15H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	7.5	n/a
Vanderbilt University					Assay Description Briefly, PLD activity was measured as the release of free [3H]-choline from [choline-methyl-3H] dipalmitoylphosphatidylcholine ([3H]-DPPC). 3−5...				ACS Chem Biol 10: 421-32 (2015) Article DOI: 10.1021/cb500828m BindingDB Entry DOI: 10.7270/Q2H70DK8
					More data for this Ligand-Target Pair
Phospholipase (Pseudomonas aeruginosa (g-Proteobacteria))	BDBM154528 (234H (17l)) Show SMILES COc1ccc(cc1)-c1sc2ccccc2c1-c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C27H27NO2S/c1-29-22-12-10-21(11-13-22)27-26(24-6-2-3-7-25(24)31-27)20-8-14-23(15-9-20)30-19-18-28-16-4-5-17-28/h2-3,6-15H,4-5,16-19H2,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.95E+3	n/a	n/a	n/a	n/a	7.5	n/a
Vanderbilt University					Assay Description In a 96-black well plate, in a final reaction volume of 200 μL, the following components were combined on ice to yield final concentrations of 5...				ACS Chem Biol 10: 421-32 (2015) Article DOI: 10.1021/cb500828m BindingDB Entry DOI: 10.7270/Q2H70DK8
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50338975 (2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-4H-chrome...) Show SMILES COc1ccc(cc1OC)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1 Show InChI InChI=1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(27-14)10-17(24-3)19(25-4)20(18)26-5/h6-10H,1-5H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description TP_TRANSPORTER: drug resistance (vincristine) in AML-2/D100 cells				Biochem Biophys Res Commun 320: 672-9 (2004) Article DOI: 10.1016/j.bbrc.2004.06.020 BindingDB Entry DOI: 10.7270/Q2891748
					More data for this Ligand-Target Pair
Phospholipase D2 (Homo sapiens (Human))	BDBM154527 (2336 (17j)) Show SMILES COc1ccc(cc1)-c1sc2ccccc2c1-c1ccc(O)cc1 Show InChI InChI=1S/C21H16O2S/c1-23-17-12-8-15(9-13-17)21-20(14-6-10-16(22)11-7-14)18-4-2-3-5-19(18)24-21/h2-13,22H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	7.5	n/a
Vanderbilt University					Assay Description Briefly, PLD activity was measured as the release of free [3H]-choline from [choline-methyl-3H] dipalmitoylphosphatidylcholine ([3H]-DPPC). 3−5...				ACS Chem Biol 10: 421-32 (2015) Article DOI: 10.1021/cb500828m BindingDB Entry DOI: 10.7270/Q2H70DK8
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50420206 (CHEMBL75258) Show SMILES COc1cc(cc(OC)c1OC)-c1oc2cc(O)cc(O)c2c(=O)c1O Show InChI InChI=1S/C18H16O8/c1-23-12-4-8(5-13(24-2)18(12)25-3)17-16(22)15(21)14-10(20)6-9(19)7-11(14)26-17/h4-7,19-20,22H,1-3H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description TP_TRANSPORTER: drug resistance (vincristine) in AML-2/D100 cells				Biochem Biophys Res Commun 320: 672-9 (2004) Article DOI: 10.1016/j.bbrc.2004.06.020 BindingDB Entry DOI: 10.7270/Q2891748
					More data for this Ligand-Target Pair
Phospholipase D2 (Homo sapiens (Human))	BDBM154525 (24F0 (17h)) Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1-c1ccc(OCCN2CCOCC2)cc1 Show InChI InChI=1S/C26H25NO4S/c28-20-5-1-19(2-6-20)26-25(23-10-7-21(29)17-24(23)32-26)18-3-8-22(9-4-18)31-16-13-27-11-14-30-15-12-27/h1-10,17,28-29H,11-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	7.5	n/a
Vanderbilt University					Assay Description Briefly, PLD activity was measured as the release of free [3H]-choline from [choline-methyl-3H] dipalmitoylphosphatidylcholine ([3H]-DPPC). 3−5...				ACS Chem Biol 10: 421-32 (2015) Article DOI: 10.1021/cb500828m BindingDB Entry DOI: 10.7270/Q2H70DK8
					More data for this Ligand-Target Pair
Phospholipase D2 (Homo sapiens (Human))	BDBM154524 (23VK (17g)) Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1-c1ccc(OCCN2CCCC2=O)cc1 Show InChI InChI=1S/C26H23NO4S/c28-19-7-3-18(4-8-19)26-25(22-12-9-20(29)16-23(22)32-26)17-5-10-21(11-6-17)31-15-14-27-13-1-2-24(27)30/h3-12,16,28-29H,1-2,13-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	7.5	n/a
Vanderbilt University					Assay Description Briefly, PLD activity was measured as the release of free [3H]-choline from [choline-methyl-3H] dipalmitoylphosphatidylcholine ([3H]-DPPC). 3−5...				ACS Chem Biol 10: 421-32 (2015) Article DOI: 10.1021/cb500828m BindingDB Entry DOI: 10.7270/Q2H70DK8
					More data for this Ligand-Target Pair
Phospholipase (Pseudomonas aeruginosa (g-Proteobacteria))	BDBM19441 (2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...) Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	7.5	n/a
Vanderbilt University					Assay Description In brief, 6 nM purified PldA was incubated with liposomes containing 90 μM 1,2-dioleoyl-sn-glycero-3-phospho-(1′-rac-glycerol), 10 μM...				ACS Chem Biol 10: 421-32 (2015) Article DOI: 10.1021/cb500828m BindingDB Entry DOI: 10.7270/Q2H70DK8
					More data for this Ligand-Target Pair
Phospholipase D1 (Homo sapiens (Human))	BDBM75442 (2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]phe...) Show SMILES COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN(C)C)cc1 Show InChI InChI=1S/C25H25NO2S/c1-26(2)15-16-28-20-13-11-18(12-14-20)24-22-9-4-5-10-23(22)29-25(24)19-7-6-8-21(17-19)27-3/h4-14,17H,15-16H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	7.5	n/a
Vanderbilt University					Assay Description Briefly, PLD activity was measured as the release of free [3H]-choline from [choline-methyl-3H] dipalmitoylphosphatidylcholine ([3H]-DPPC). 3−5...				ACS Chem Biol 10: 421-32 (2015) Article DOI: 10.1021/cb500828m BindingDB Entry DOI: 10.7270/Q2H70DK8
					More data for this Ligand-Target Pair
Phospholipase D2 (Homo sapiens (Human))	BDBM154523 (24DY (17f)) Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1-c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C26H25NO3S/c28-20-7-3-19(4-8-20)26-25(23-12-9-21(29)17-24(23)31-26)18-5-10-22(11-6-18)30-16-15-27-13-1-2-14-27/h3-12,17,28-29H,1-2,13-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	7.5	n/a
Vanderbilt University					Assay Description Briefly, PLD activity was measured as the release of free [3H]-choline from [choline-methyl-3H] dipalmitoylphosphatidylcholine ([3H]-DPPC). 3−5...				ACS Chem Biol 10: 421-32 (2015) Article DOI: 10.1021/cb500828m BindingDB Entry DOI: 10.7270/Q2H70DK8
					More data for this Ligand-Target Pair
Phospholipase D2 (Homo sapiens (Human))	BDBM19441 (2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...) Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description Cells were seeded into 12-well tissue culture plates to reach 90% confluence at the time of assay. All cell types, aside from the HEK293-gfpPLD2 cell...				ACS Chem Biol 10: 421-32 (2015) Article DOI: 10.1021/cb500828m BindingDB Entry DOI: 10.7270/Q2H70DK8
					More data for this Ligand-Target Pair
Phospholipase (Pseudomonas aeruginosa (g-Proteobacteria))	BDBM75443 (2-[4-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phe...) Show SMILES COc1ccc(cc1)-c1sc2ccccc2c1-c1ccc(OCCN(C)C)cc1 Show InChI InChI=1S/C25H25NO2S/c1-26(2)16-17-28-21-14-8-18(9-15-21)24-22-6-4-5-7-23(22)29-25(24)19-10-12-20(27-3)13-11-19/h4-15H,16-17H2,1-3H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	7.5	n/a
Vanderbilt University					Assay Description In a 96-black well plate, in a final reaction volume of 200 μL, the following components were combined on ice to yield final concentrations of 5...				ACS Chem Biol 10: 421-32 (2015) Article DOI: 10.1021/cb500828m BindingDB Entry DOI: 10.7270/Q2H70DK8
					More data for this Ligand-Target Pair
Phospholipase D2 (Homo sapiens (Human))	BDBM154522 (24F1 (17e)) Show SMILES CN(C)CCOc1ccc(cc1)-c1c(sc2cc(O)ccc12)-c1ccc(O)cc1 Show InChI InChI=1S/C24H23NO3S/c1-25(2)13-14-28-20-10-5-16(6-11-20)23-21-12-9-19(27)15-22(21)29-24(23)17-3-7-18(26)8-4-17/h3-12,15,26-27H,13-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	7.5	n/a
Vanderbilt University					Assay Description Briefly, PLD activity was measured as the release of free [3H]-choline from [choline-methyl-3H] dipalmitoylphosphatidylcholine ([3H]-DPPC). 3−5...				ACS Chem Biol 10: 421-32 (2015) Article DOI: 10.1021/cb500828m BindingDB Entry DOI: 10.7270/Q2H70DK8
					More data for this Ligand-Target Pair
Phospholipase D1 (Homo sapiens (Human))	BDBM154519 (Desketoraloxifene (10)) Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1-c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C27H27NO3S/c29-21-8-4-20(5-9-21)27-26(24-13-10-22(30)18-25(24)32-27)19-6-11-23(12-7-19)31-17-16-28-14-2-1-3-15-28/h4-13,18,29-30H,1-3,14-17H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description Cells were seeded into 12-well tissue culture plates to reach 90% confluence at the time of assay. All cell types, aside from the HEK293-gfpPLD2 cell...				ACS Chem Biol 10: 421-32 (2015) Article DOI: 10.1021/cb500828m BindingDB Entry DOI: 10.7270/Q2H70DK8
					More data for this Ligand-Target Pair
Phospholipase D1 (Homo sapiens (Human))	BDBM154519 (Desketoraloxifene (10)) Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1-c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C27H27NO3S/c29-21-8-4-20(5-9-21)27-26(24-13-10-22(30)18-25(24)32-27)19-6-11-23(12-7-19)31-17-16-28-14-2-1-3-15-28/h4-13,18,29-30H,1-3,14-17H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	7.5	n/a
Vanderbilt University					Assay Description Briefly, PLD activity was measured as the release of free [3H]-choline from [choline-methyl-3H] dipalmitoylphosphatidylcholine ([3H]-DPPC). 3−5...				ACS Chem Biol 10: 421-32 (2015) Article DOI: 10.1021/cb500828m BindingDB Entry DOI: 10.7270/Q2H70DK8
					More data for this Ligand-Target Pair
Phospholipase D2 (Homo sapiens (Human))	BDBM154526 (22B1 (17i)) Show SMILES Oc1ccc(cc1)-c1c(sc2ccccc12)-c1cccc(O)c1 Show InChI InChI=1S/C20H14O2S/c21-15-10-8-13(9-11-15)19-17-6-1-2-7-18(17)23-20(19)14-4-3-5-16(22)12-14/h1-12,21-22H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	7.5	n/a
Vanderbilt University					Assay Description Briefly, PLD activity was measured as the release of free [3H]-choline from [choline-methyl-3H] dipalmitoylphosphatidylcholine ([3H]-DPPC). 3−5...				ACS Chem Biol 10: 421-32 (2015) Article DOI: 10.1021/cb500828m BindingDB Entry DOI: 10.7270/Q2H70DK8
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50420213 (CHEMBL575072) Show SMILES COc1ccc(cc1OC)-c1oc2cc(O)ccc2c(=O)c1O Show InChI InChI=1S/C17H14O6/c1-21-12-6-3-9(7-14(12)22-2)17-16(20)15(19)11-5-4-10(18)8-13(11)23-17/h3-8,18,20H,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description TP_TRANSPORTER: drug resistance (vincristine) in AML-2/D100 cells				Biochem Biophys Res Commun 320: 672-9 (2004) Article DOI: 10.1016/j.bbrc.2004.06.020 BindingDB Entry DOI: 10.7270/Q2891748
					More data for this Ligand-Target Pair
Phospholipase (Pseudomonas aeruginosa (g-Proteobacteria))	BDBM154520 (1M39 (17a)) Show SMILES COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(O)cc1 Show InChI InChI=1S/C21H16O2S/c1-23-17-6-4-5-15(13-17)21-20(14-9-11-16(22)12-10-14)18-7-2-3-8-19(18)24-21/h2-13,22H,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	7.5	n/a
Vanderbilt University					Assay Description In a 96-black well plate, in a final reaction volume of 200 μL, the following components were combined on ice to yield final concentrations of 5...				ACS Chem Biol 10: 421-32 (2015) Article DOI: 10.1021/cb500828m BindingDB Entry DOI: 10.7270/Q2H70DK8
					More data for this Ligand-Target Pair
Phospholipase D1 (Homo sapiens (Human))	BDBM20608 (4-Hydroxytamoxifen | 4-Hydroxytamoxifen (9) | 4-[(...) Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 Show InChI InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description Cells were seeded into 12-well tissue culture plates to reach 90% confluence at the time of assay. All cell types, aside from the HEK293-gfpPLD2 cell...				ACS Chem Biol 10: 421-32 (2015) Article DOI: 10.1021/cb500828m BindingDB Entry DOI: 10.7270/Q2H70DK8
					More data for this Ligand-Target Pair
Phospholipase (Pseudomonas aeruginosa (g-Proteobacteria))	BDBM154524 (23VK (17g)) Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1-c1ccc(OCCN2CCCC2=O)cc1 Show InChI InChI=1S/C26H23NO4S/c28-19-7-3-18(4-8-19)26-25(22-12-9-20(29)16-23(22)32-26)17-5-10-21(11-6-17)31-15-14-27-13-1-2-24(27)30/h3-12,16,28-29H,1-2,13-15H2	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	7.5	n/a
Vanderbilt University					Assay Description In brief, 6 nM purified PldA was incubated with liposomes containing 90 μM 1,2-dioleoyl-sn-glycero-3-phospho-(1′-rac-glycerol), 10 μM...				ACS Chem Biol 10: 421-32 (2015) Article DOI: 10.1021/cb500828m BindingDB Entry DOI: 10.7270/Q2H70DK8
					More data for this Ligand-Target Pair
Phospholipase D2 (Homo sapiens (Human))	BDBM75442 (2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]phe...) Show SMILES COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN(C)C)cc1 Show InChI InChI=1S/C25H25NO2S/c1-26(2)15-16-28-20-13-11-18(12-14-20)24-22-9-4-5-10-23(22)29-25(24)19-7-6-8-21(17-19)27-3/h4-14,17H,15-16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	7.5	n/a
Vanderbilt University					Assay Description Briefly, PLD activity was measured as the release of free [3H]-choline from [choline-methyl-3H] dipalmitoylphosphatidylcholine ([3H]-DPPC). 3−5...				ACS Chem Biol 10: 421-32 (2015) Article DOI: 10.1021/cb500828m BindingDB Entry DOI: 10.7270/Q2H70DK8
					More data for this Ligand-Target Pair
Phospholipase (Pseudomonas aeruginosa (g-Proteobacteria))	BDBM154520 (1M39 (17a)) Show SMILES COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(O)cc1 Show InChI InChI=1S/C21H16O2S/c1-23-17-6-4-5-15(13-17)21-20(14-9-11-16(22)12-10-14)18-7-2-3-8-19(18)24-21/h2-13,22H,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	7.5	n/a
Vanderbilt University					Assay Description In brief, 6 nM purified PldA was incubated with liposomes containing 90 μM 1,2-dioleoyl-sn-glycero-3-phospho-(1′-rac-glycerol), 10 μM...				ACS Chem Biol 10: 421-32 (2015) Article DOI: 10.1021/cb500828m BindingDB Entry DOI: 10.7270/Q2H70DK8
					More data for this Ligand-Target Pair
Phospholipase (Pseudomonas aeruginosa (g-Proteobacteria))	BDBM75442 (2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]phe...) Show SMILES COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN(C)C)cc1 Show InChI InChI=1S/C25H25NO2S/c1-26(2)15-16-28-20-13-11-18(12-14-20)24-22-9-4-5-10-23(22)29-25(24)19-7-6-8-21(17-19)27-3/h4-14,17H,15-16H2,1-3H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	7.5	n/a
Vanderbilt University					Assay Description In a 96-black well plate, in a final reaction volume of 200 μL, the following components were combined on ice to yield final concentrations of 5...				ACS Chem Biol 10: 421-32 (2015) Article DOI: 10.1021/cb500828m BindingDB Entry DOI: 10.7270/Q2H70DK8
					More data for this Ligand-Target Pair

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