Compile Data Set for Download or QSAR

Found 105 hits with Last Name = 'o'reilly' and Initial = 'm'   

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
Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit 1 (Saccharomyces cerevisiae (Baker's yeast))	BDBM43866 (2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[(3R,6S,7R,1...) Show SMILES CC(C)[C@H]1NC(=O)[C@@H](NC(=O)c2ccc(C)c3oc4c(C)c(=O)c(N)c(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]6CCCN6C(=O)[C@H](NC5=O)C(C)C)c4nc23)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]2CCCN2C1=O Show InChI InChI=1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)/t33-,34-,36+,37+,42-,43-,44+,45+,48+,49+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	Article PubMed	41	-38.6	n/a	n/a	n/a	n/a	n/a	7.5	0
Massachusetts Institute of Technology					Assay Description Competition assay using S. cerevisiae oligosaccharyl transferase (OT)with disaccharide donor Dol-P-P-(GlcNAc)2 and the tripeptide substrate Bz-Asn-Le...				Chem Biol 9: 1323-8 (2002) Article DOI: 10.1016/S1074-5521(02)00281-8 BindingDB Entry DOI: 10.7270/Q2736P9D
					More data for this Ligand-Target Pair
Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit 1 (Saccharomyces cerevisiae (Baker's yeast))	BDBM43865 (6-formyl-4,7-dihydroxy-9-keto-5H-phenazine-1-carbo...) Show SMILES COC(=O)c1ccc(O)c2nc3c(C=O)c(O)cc(O)c3nc12 Show InChI InChI=1S/C15H10N2O6/c1-23-15(22)6-2-3-8(19)13-11(6)16-14-10(21)4-9(20)7(5-18)12(14)17-13/h2-5,19-21H,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	62	-37.7	n/a	n/a	n/a	n/a	n/a	7.5	0
Massachusetts Institute of Technology					Assay Description Competition assay using S. cerevisiae oligosaccharyl transferase (OT)with disaccharide donor Dol-P-P-(GlcNAc)2 and the tripeptide substrate Bz-Asn-Le...				Chem Biol 9: 1323-8 (2002) Article DOI: 10.1016/S1074-5521(02)00281-8 BindingDB Entry DOI: 10.7270/Q2736P9D
					More data for this Ligand-Target Pair
Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit 1 (Saccharomyces cerevisiae (Baker's yeast))	BDBM43863 (3-[[4-amino-6-(2,5-dimethoxyanilino)-5-nitro-pyrim...) Show SMILES COc1ccc(OC)c(Nc2nc(NCCCN(C)C)nc(N)c2[N+]([O-])=O)c1 Show InChI InChI=1S/C17H25N7O4/c1-23(2)9-5-8-19-17-21-15(18)14(24(25)26)16(22-17)20-12-10-11(27-3)6-7-13(12)28-4/h6-7,10H,5,8-9H2,1-4H3,(H4,18,19,20,21,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	-31.2	n/a	n/a	n/a	n/a	n/a	7.5	0
Massachusetts Institute of Technology					Assay Description Competition assay using S. cerevisiae oligosaccharyl transferase (OT)with disaccharide donor Dol-P-P-(GlcNAc)2 and the tripeptide substrate Bz-Asn-Le...				Chem Biol 9: 1323-8 (2002) Article DOI: 10.1016/S1074-5521(02)00281-8 BindingDB Entry DOI: 10.7270/Q2736P9D
					More data for this Ligand-Target Pair
Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit 1 (Saccharomyces cerevisiae (Baker's yeast))	BDBM43860 (Glycopeptide, 2 | MLS000517385 | N-(4-acetamidophe...) Show SMILES CC(=O)Nc1ccc(NC(=O)c2ccc(Cl)nc2)cc1 Show InChI InChI=1S/C14H12ClN3O2/c1-9(19)17-11-3-5-12(6-4-11)18-14(20)10-2-7-13(15)16-8-10/h2-8H,1H3,(H,17,19)(H,18,20)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	2.50E+3	-29.3	n/a	n/a	n/a	n/a	n/a	7.5	0
Massachusetts Institute of Technology					Assay Description Competition assay using S. cerevisiae oligosaccharyl transferase (OT)with disaccharide donor Dol-P-P-(GlcNAc)2 and the tripeptide substrate Bz-Asn-Le...				Chem Biol 9: 1323-8 (2002) Article DOI: 10.1016/S1074-5521(02)00281-8 BindingDB Entry DOI: 10.7270/Q2736P9D
					More data for this Ligand-Target Pair
Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit 1 (Saccharomyces cerevisiae (Baker's yeast))	BDBM43864 (2-chloranyl-N1,N4-bis[4-(4,5-dihydro-1H-imidazol-2...) Show SMILES Clc1cc(ccc1C(=O)Nc1ccc(cc1)C1=NCCN1)C(=O)Nc1ccc(cc1)C1=NCCN1 |t:18,34| Show InChI InChI=1S/C26H23ClN6O2/c27-22-15-18(25(34)32-19-6-1-16(2-7-19)23-28-11-12-29-23)5-10-21(22)26(35)33-20-8-3-17(4-9-20)24-30-13-14-31-24/h1-10,15H,11-14H2,(H,28,29)(H,30,31)(H,32,34)(H,33,35)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	-28.2	n/a	n/a	n/a	n/a	n/a	7.5	0
Massachusetts Institute of Technology					Assay Description Competition assay using S. cerevisiae oligosaccharyl transferase (OT)with disaccharide donor Dol-P-P-(GlcNAc)2 and the tripeptide substrate Bz-Asn-Le...				Chem Biol 9: 1323-8 (2002) Article DOI: 10.1016/S1074-5521(02)00281-8 BindingDB Entry DOI: 10.7270/Q2736P9D
					More data for this Ligand-Target Pair
Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit 1 (Saccharomyces cerevisiae (Baker's yeast))	BDBM43861 (4-[7-[4-[diethyl(methyl)ammonio]butoxy]-9-keto-flu...) Show SMILES CC[N+](C)(CC)CCCCOc1ccc2-c3ccc(OCCCC[N+](C)(CC)CC)cc3C(=O)c2c1 Show InChI InChI=1S/C31H48N2O3/c1-7-32(5,8-2)19-11-13-21-35-25-15-17-27-28-18-16-26(24-30(28)31(34)29(27)23-25)36-22-14-12-20-33(6,9-3)10-4/h15-18,23-24H,7-14,19-22H2,1-6H3/q+2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.50E+3	-28.0	n/a	n/a	n/a	n/a	n/a	7.5	0
Massachusetts Institute of Technology					Assay Description Competition assay using S. cerevisiae oligosaccharyl transferase (OT)with disaccharide donor Dol-P-P-(GlcNAc)2 and the tripeptide substrate Bz-Asn-Le...				Chem Biol 9: 1323-8 (2002) Article DOI: 10.1016/S1074-5521(02)00281-8 BindingDB Entry DOI: 10.7270/Q2736P9D
					More data for this Ligand-Target Pair
Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit 1 (Saccharomyces cerevisiae (Baker's yeast))	BDBM43862 (2-(aminocarbonylamino)-N-[4-[(4-methoxyphenyl)sulf...) Show SMILES COc1ccc(NS(=O)(=O)c2ccc(NC(=O)C(CCSC)NC(N)=O)cc2)cc1 Show InChI InChI=1S/C19H24N4O5S2/c1-28-15-7-3-14(4-8-15)23-30(26,27)16-9-5-13(6-10-16)21-18(24)17(11-12-29-2)22-19(20)25/h3-10,17,23H,11-12H2,1-2H3,(H,21,24)(H3,20,22,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	3.40E+4	-23.4	n/a	n/a	n/a	n/a	n/a	7.5	0
Massachusetts Institute of Technology					Assay Description Competition assay using S. cerevisiae oligosaccharyl transferase (OT)with disaccharide donor Dol-P-P-(GlcNAc)2 and the tripeptide substrate Bz-Asn-Le...				Chem Biol 9: 1323-8 (2002) Article DOI: 10.1016/S1074-5521(02)00281-8 BindingDB Entry DOI: 10.7270/Q2736P9D
					More data for this Ligand-Target Pair
Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit 1 (Saccharomyces cerevisiae (Baker's yeast))	BDBM43859 (2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfany...) Show SMILES COc1ccc(cc1)-n1cnnc1SCC(=O)Nc1cc(C)on1 Show InChI InChI=1S/C15H15N5O3S/c1-10-7-13(19-23-10)17-14(21)8-24-15-18-16-9-20(15)11-3-5-12(22-2)6-4-11/h3-7,9H,8H2,1-2H3,(H,17,19,21)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.00E+5	-20.9	n/a	n/a	n/a	n/a	n/a	7.5	0
Massachusetts Institute of Technology					Assay Description Competition assay using S. cerevisiae oligosaccharyl transferase (OT)with disaccharide donor Dol-P-P-(GlcNAc)2 and the tripeptide substrate Bz-Asn-Le...				Chem Biol 9: 1323-8 (2002) Article DOI: 10.1016/S1074-5521(02)00281-8 BindingDB Entry DOI: 10.7270/Q2736P9D
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Oryctolagus cuniculus (Rabbit))	BDBM50420304 (CHEMBL2089065 | US8598217, 165) Show SMILES CN(C)C1CCN(CC1)c1ccc2[nH]c(nc2n1)C(=O)c1ccc(C#N)c(c1)-c1cncc2ccccc12 Show InChI InChI=1S/C30H27N7O/c1-36(2)22-11-13-37(14-12-22)27-10-9-26-29(34-27)35-30(33-26)28(38)19-7-8-20(16-31)24(15-19)25-18-32-17-21-5-3-4-6-23(21)25/h3-10,15,17-18,22H,11-14H2,1-2H3,(H,33,34,35)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	n/a
Astex Therapeutics Ltd.; Novartis AG US Patent					Assay Description A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...				US Patent US8598217 (2013) BindingDB Entry DOI: 10.7270/Q2BG2MN8
					More data for this Ligand-Target Pair
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
Cyclin-dependent kinase 4 (Oryctolagus cuniculus (Rabbit))	BDBM107751 (CHEMBL2089063 | US8598217, 89) Show SMILES CN(C)C1CCN(CC1)c1ccc2nc([nH]c2c1)C(=O)c1ccnc(c1)-c1cncc2ccccc12 Show InChI InChI=1S/C29H28N6O/c1-34(2)21-10-13-35(14-11-21)22-7-8-25-27(16-22)33-29(32-25)28(36)19-9-12-31-26(15-19)24-18-30-17-20-5-3-4-6-23(20)24/h3-9,12,15-18,21H,10-11,13-14H2,1-2H3,(H,32,33)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	n/a
Astex Therapeutics Ltd.; Novartis AG US Patent					Assay Description A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...				US Patent US8598217 (2013) BindingDB Entry DOI: 10.7270/Q2BG2MN8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Oryctolagus cuniculus (Rabbit))	BDBM107755 (US8598217, 140) Show SMILES CN(C)C1CCN(CC1)c1ccc2[nH]c(nc2n1)C(=O)c1ccc(C#N)c(c1)-c1cncc2[nH]ccc12 Show InChI InChI=1S/C28H26N8O/c1-35(2)19-8-11-36(12-9-19)25-6-5-23-27(33-25)34-28(32-23)26(37)17-3-4-18(14-29)21(13-17)22-15-30-16-24-20(22)7-10-31-24/h3-7,10,13,15-16,19,31H,8-9,11-12H2,1-2H3,(H,32,33,34)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	n/a
Astex Therapeutics Ltd.; Novartis AG US Patent					Assay Description A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...				US Patent US8598217 (2013) BindingDB Entry DOI: 10.7270/Q2BG2MN8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Oryctolagus cuniculus (Rabbit))	BDBM107761 (US8598217, 174) Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1ccc2nc[nH]c2c1 Show InChI InChI=1S/C17H22N4O3/c1-17(2,3)24-16(23)21-8-6-20(7-9-21)15(22)12-4-5-13-14(10-12)19-11-18-13/h4-5,10-11H,6-9H2,1-3H3,(H,18,19)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	n/a
Astex Therapeutics Ltd.; Novartis AG US Patent					Assay Description A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...				US Patent US8598217 (2013) BindingDB Entry DOI: 10.7270/Q2BG2MN8
					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
Cyclin-dependent kinase 4 (Oryctolagus cuniculus (Rabbit))	BDBM107765 (US8598217, 166) Show SMILES O=C(c1nc2nc(ccc2[nH]1)N1CCNCC1)c1ccc(C#N)c(c1)-c1cncc2ccccc12 Show InChI InChI=1S/C27H21N7O/c28-14-18-6-5-17(13-21(18)22-16-30-15-19-3-1-2-4-20(19)22)25(35)27-31-23-7-8-24(32-26(23)33-27)34-11-9-29-10-12-34/h1-8,13,15-16,29H,9-12H2,(H,31,32,33)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	7.5	n/a
Astex Therapeutics Ltd.; Novartis AG US Patent					Assay Description A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...				US Patent US8598217 (2013) BindingDB Entry DOI: 10.7270/Q2BG2MN8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Oryctolagus cuniculus (Rabbit))	BDBM50420303 (CHEMBL2089064 | US8598217, 135) Show SMILES CN(C)C1CCN(CC1)c1ccc2[nH]c(nc2n1)C(=O)c1ccnc(c1)-c1cncc2ccccc12 Show InChI InChI=1S/C28H27N7O/c1-34(2)20-10-13-35(14-11-20)25-8-7-23-27(32-25)33-28(31-23)26(36)18-9-12-30-24(15-18)22-17-29-16-19-5-3-4-6-21(19)22/h3-9,12,15-17,20H,10-11,13-14H2,1-2H3,(H,31,32,33)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	7.5	n/a
Astex Therapeutics Ltd.; Novartis AG US Patent					Assay Description A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...				US Patent US8598217 (2013) BindingDB Entry DOI: 10.7270/Q2BG2MN8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Oryctolagus cuniculus (Rabbit))	BDBM50420305 (CHEMBL2089057 | US8598217, 173) Show SMILES CN(C)C1CCN(CC1)c1ccc2[nH]c(nc2n1)C(=O)c1ccc(C#N)c(c1)-c1c(C)nn(C)c1C |(10.17,-39.75,;9.4,-38.41,;10.17,-37.08,;7.86,-38.41,;7.09,-39.74,;5.55,-39.75,;4.79,-38.41,;5.54,-37.08,;7.09,-37.08,;3.25,-38.42,;2.47,-37.08,;.94,-37.09,;.18,-38.42,;-1.32,-38.74,;-1.49,-40.28,;-.07,-40.9,;.95,-39.75,;2.48,-39.75,;-2.82,-41.05,;-2.82,-42.59,;-4.15,-40.28,;-5.49,-41.06,;-6.83,-40.29,;-6.82,-38.74,;-8.16,-37.97,;-9.5,-37.2,;-5.49,-37.97,;-4.16,-38.73,;-5.51,-36.43,;-6.76,-35.53,;-8.22,-36.01,;-6.29,-34.06,;-4.75,-34.06,;-3.85,-32.81,;-4.27,-35.52,;-2.8,-35.99,)| Show InChI InChI=1S/C27H30N8O/c1-16-24(17(2)34(5)32-16)21-14-18(6-7-19(21)15-28)25(36)27-29-22-8-9-23(30-26(22)31-27)35-12-10-20(11-13-35)33(3)4/h6-9,14,20H,10-13H2,1-5H3,(H,29,30,31)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	7.5	n/a
Astex Therapeutics Ltd.; Novartis AG US Patent					Assay Description A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...				US Patent US8598217 (2013) BindingDB Entry DOI: 10.7270/Q2BG2MN8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Oryctolagus cuniculus (Rabbit))	BDBM107756 (US8598217, 163) Show SMILES O=C(c1nc2nc(ccc2[nH]1)N1CCCNCC1)c1ccnc(c1)-c1cncc2ccccc12 Show InChI InChI=1S/C26H23N7O/c34-24(17-8-10-29-22(14-17)20-16-28-15-18-4-1-2-5-19(18)20)26-30-21-6-7-23(31-25(21)32-26)33-12-3-9-27-11-13-33/h1-2,4-8,10,14-16,27H,3,9,11-13H2,(H,30,31,32)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	7.5	n/a
Astex Therapeutics Ltd.; Novartis AG US Patent					Assay Description A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...				US Patent US8598217 (2013) BindingDB Entry DOI: 10.7270/Q2BG2MN8
					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
Cyclin-dependent kinase 4 (Oryctolagus cuniculus (Rabbit))	BDBM107757 (US8598217, 164) Show SMILES O=C(c1nc2nc(ccc2[nH]1)N1CCNCC1)c1ccnc(c1)-c1cncc2ccccc12 Show InChI InChI=1S/C25H21N7O/c33-23(25-29-20-5-6-22(30-24(20)31-25)32-11-9-26-10-12-32)16-7-8-28-21(13-16)19-15-27-14-17-3-1-2-4-18(17)19/h1-8,13-15,26H,9-12H2,(H,29,30,31)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	7.5	n/a
Astex Therapeutics Ltd.; Novartis AG US Patent					Assay Description A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...				US Patent US8598217 (2013) BindingDB Entry DOI: 10.7270/Q2BG2MN8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Oryctolagus cuniculus (Rabbit))	BDBM107753 (US8598217, 99) Show SMILES CN1CCC(CC1)NC(=O)c1ccc2nc([nH]c2c1)C(=O)c1ccnc(c1)-c1cncc2ccccc12 Show InChI InChI=1S/C29H26N6O2/c1-35-12-9-21(10-13-35)32-29(37)19-6-7-24-26(15-19)34-28(33-24)27(36)18-8-11-31-25(14-18)23-17-30-16-20-4-2-3-5-22(20)23/h2-8,11,14-17,21H,9-10,12-13H2,1H3,(H,32,37)(H,33,34)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	7.5	n/a
Astex Therapeutics Ltd.; Novartis AG US Patent					Assay Description A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...				US Patent US8598217 (2013) BindingDB Entry DOI: 10.7270/Q2BG2MN8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Oryctolagus cuniculus (Rabbit))	BDBM107750 (US8598217, 86) Show SMILES CN1CCN(Cc2ccc3nc([nH]c3c2)C(=O)c2ccnc(c2)-c2cncc3ccccc23)CC1 Show InChI InChI=1S/C28H26N6O/c1-33-10-12-34(13-11-33)18-19-6-7-24-26(14-19)32-28(31-24)27(35)20-8-9-30-25(15-20)23-17-29-16-21-4-2-3-5-22(21)23/h2-9,14-17H,10-13,18H2,1H3,(H,31,32)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	27	n/a	n/a	n/a	n/a	7.5	n/a
Astex Therapeutics Ltd.; Novartis AG US Patent					Assay Description A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...				US Patent US8598217 (2013) BindingDB Entry DOI: 10.7270/Q2BG2MN8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Oryctolagus cuniculus (Rabbit))	BDBM107752 (US8598217, 98) Show SMILES OCC(O)COc1ccc2nc([nH]c2c1)C(=O)c1ccnc(c1)-c1cncc2ccccc12 Show InChI InChI=1S/C25H20N4O4/c30-13-17(31)14-33-18-5-6-21-23(10-18)29-25(28-21)24(32)15-7-8-27-22(9-15)20-12-26-11-16-3-1-2-4-19(16)20/h1-12,17,30-31H,13-14H2,(H,28,29)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33	n/a	n/a	n/a	n/a	7.5	n/a
Astex Therapeutics Ltd.; Novartis AG US Patent					Assay Description A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...				US Patent US8598217 (2013) BindingDB Entry DOI: 10.7270/Q2BG2MN8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Oryctolagus cuniculus (Rabbit))	BDBM107749 (US8598217, 84) Show SMILES CN(C)Cc1ccc2nc([nH]c2c1)C(=O)c1ccnc(c1)-c1cncc2ccccc12 Show InChI InChI=1S/C25H21N5O/c1-30(2)15-16-7-8-21-23(11-16)29-25(28-21)24(31)17-9-10-27-22(12-17)20-14-26-13-18-5-3-4-6-19(18)20/h3-14H,15H2,1-2H3,(H,28,29)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	57	n/a	n/a	n/a	n/a	7.5	n/a
Astex Therapeutics Ltd.; Novartis AG US Patent					Assay Description A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...				US Patent US8598217 (2013) BindingDB Entry DOI: 10.7270/Q2BG2MN8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Oryctolagus cuniculus (Rabbit))	BDBM107754 (US8598217, 103) Show SMILES COc1ccc(F)c(F)c1-c1cc(ccn1)C(=O)c1nc2ccc(cc2[nH]1)N1CCC(CC1)N(C)C Show InChI InChI=1S/C27H27F2N5O2/c1-33(2)17-9-12-34(13-10-17)18-4-6-20-21(15-18)32-27(31-20)26(35)16-8-11-30-22(14-16)24-23(36-3)7-5-19(28)25(24)29/h4-8,11,14-15,17H,9-10,12-13H2,1-3H3,(H,31,32)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	60	n/a	n/a	n/a	n/a	7.5	n/a
Astex Therapeutics Ltd.; Novartis AG US Patent					Assay Description A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...				US Patent US8598217 (2013) BindingDB Entry DOI: 10.7270/Q2BG2MN8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Oryctolagus cuniculus (Rabbit))	BDBM107764 (US8598217, 148) Show SMILES COc1ccc(F)c(F)c1-c1cccc(c1)C(=O)c1nc2nc(ccc2[nH]1)N1CCC(CC1)N(C)C Show InChI InChI=1S/C27H27F2N5O2/c1-33(2)18-11-13-34(14-12-18)22-10-8-20-26(31-22)32-27(30-20)25(35)17-6-4-5-16(15-17)23-21(36-3)9-7-19(28)24(23)29/h4-10,15,18H,11-14H2,1-3H3,(H,30,31,32)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	67	n/a	n/a	n/a	n/a	7.5	n/a
Astex Therapeutics Ltd.; Novartis AG US Patent					Assay Description A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...				US Patent US8598217 (2013) BindingDB Entry DOI: 10.7270/Q2BG2MN8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Oryctolagus cuniculus (Rabbit))	BDBM107762 (US8598217, 182) Show SMILES O=C(c1nc2ccc(cc2[nH]1)S(=O)(=O)N1CCNCC1)c1ccnc(c1)-c1cncc2ccccc12 Show InChI InChI=1S/C26H22N6O3S/c33-25(17-7-8-29-23(13-17)21-16-28-15-18-3-1-2-4-20(18)21)26-30-22-6-5-19(14-24(22)31-26)36(34,35)32-11-9-27-10-12-32/h1-8,13-16,27H,9-12H2,(H,30,31)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	77	n/a	n/a	n/a	n/a	7.5	n/a
Astex Therapeutics Ltd.; Novartis AG US Patent					Assay Description A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...				US Patent US8598217 (2013) BindingDB Entry DOI: 10.7270/Q2BG2MN8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Oryctolagus cuniculus (Rabbit))	BDBM107763 (US8598217, 189) Show SMILES Cc1nn(C)c(C)c1-c1cc(ccc1C#N)C(=O)c1nc2nc(ccc2[nH]1)N1CCNCC1 |(-2.1,1.36,;-3.44,2.13,;-3.91,3.6,;-5.45,3.6,;-6.22,4.93,;-5.93,2.13,;-7.26,1.36,;-4.68,1.23,;-4.68,-.31,;-3.35,-1.08,;-3.35,-2.62,;-4.68,-3.39,;-6.02,-2.62,;-6.02,-1.08,;-7.35,-.31,;-8.68,.46,;-2.02,-3.39,;-2.02,-4.93,;-.68,-2.62,;.72,-3.25,;1.75,-2.1,;3.29,-2.1,;4.06,-.77,;3.29,.56,;1.75,.56,;.98,-.77,;-.52,-1.09,;5.6,-.77,;6.37,-2.1,;7.91,-2.1,;8.68,-.77,;7.91,.56,;6.37,.56,)| Show InChI InChI=1S/C24H24N8O/c1-14-21(15(2)31(3)30-14)18-12-16(4-5-17(18)13-25)22(33)24-27-19-6-7-20(28-23(19)29-24)32-10-8-26-9-11-32/h4-7,12,26H,8-11H2,1-3H3,(H,27,28,29)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	95	n/a	n/a	n/a	n/a	7.5	n/a
Astex Therapeutics Ltd.; Novartis AG US Patent					Assay Description A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...				US Patent US8598217 (2013) BindingDB Entry DOI: 10.7270/Q2BG2MN8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Oryctolagus cuniculus (Rabbit))	BDBM107758 (US8598217, 167) Show SMILES CN(C)C1CCN(CC1)c1ccc2[nH]c(nc2n1)C(=O)c1ccnc(c1)-c1c(C)n[nH]c1C Show InChI InChI=1S/C24H28N8O/c1-14-21(15(2)30-29-14)19-13-16(7-10-25-19)22(33)24-26-18-5-6-20(27-23(18)28-24)32-11-8-17(9-12-32)31(3)4/h5-7,10,13,17H,8-9,11-12H2,1-4H3,(H,29,30)(H,26,27,28)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	195	n/a	n/a	n/a	n/a	7.5	n/a
Astex Therapeutics Ltd.; Novartis AG US Patent					Assay Description A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...				US Patent US8598217 (2013) BindingDB Entry DOI: 10.7270/Q2BG2MN8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Oryctolagus cuniculus (Rabbit))	BDBM107759 (US8598217, 169) Show SMILES Cc1n[nH]c(C)c1-c1cc(ccn1)C(=O)c1nc2nc(ccc2[nH]1)N1CCNCC1 Show InChI InChI=1S/C21H22N8O/c1-12-18(13(2)28-27-12)16-11-14(5-6-23-16)19(30)21-24-15-3-4-17(25-20(15)26-21)29-9-7-22-8-10-29/h3-6,11,22H,7-10H2,1-2H3,(H,27,28)(H,24,25,26)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	260	n/a	n/a	n/a	n/a	7.5	n/a
Astex Therapeutics Ltd.; Novartis AG US Patent					Assay Description A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...				US Patent US8598217 (2013) BindingDB Entry DOI: 10.7270/Q2BG2MN8
					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
Cyclin-dependent kinase 4 (Oryctolagus cuniculus (Rabbit))	BDBM107760 (US8598217, 170) Show SMILES Cc1n[nH]c(C)c1-c1cc(ccn1)C(=O)c1nc2nc(ccc2[nH]1)N1CCCNCC1 Show InChI InChI=1S/C22H24N8O/c1-13-19(14(2)29-28-13)17-12-15(6-8-24-17)20(31)22-25-16-4-5-18(26-21(16)27-22)30-10-3-7-23-9-11-30/h4-6,8,12,23H,3,7,9-11H2,1-2H3,(H,28,29)(H,25,26,27)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	548	n/a	n/a	n/a	n/a	7.5	n/a
Astex Therapeutics Ltd.; Novartis AG US Patent					Assay Description A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...				US Patent US8598217 (2013) BindingDB Entry DOI: 10.7270/Q2BG2MN8
					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
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	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))	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 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
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
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 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 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))	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

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