Compile Data Set for Download or QSAR

Found 159 hits with Last Name = 'lewis' and Initial = 'ja'   

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
5'-AMP-activated protein kinase subunit beta-1/5'-AMP-activated protein kinase subunit gamma-1/Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description Shown are the IC50s (concentrations causing 50% inhibition) of DM and the analogues for the in vitro kinase assays using the following purified human...				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
Phospholipase D1 (Homo sapiens (Human))	BDBM50423651 (CHEMBL2304616) Show SMILES Clc1ccc2n(C3CCN(CCNC(=O)C4C[C@@H]4c4ccccc4)CC3)c(=O)[nH]c2c1 |r| Show InChI InChI=1S/C24H27ClN4O2/c25-17-6-7-22-21(14-17)27-24(31)29(22)18-8-11-28(12-9-18)13-10-26-23(30)20-15-19(20)16-4-2-1-3-5-16/h1-7,14,18-20H,8-13,15H2,(H,26,30)(H,27,31)/t19-,20?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of human PLD1 in Calu1 cells				Bioorg Med Chem Lett 19: 1916-20 (2009) Article DOI: 10.1016/j.bmcl.2009.02.057 BindingDB Entry DOI: 10.7270/Q2VM4C5W
					More data for this Ligand-Target Pair
Phospholipase D1 (Homo sapiens (Human))	BDBM50257542 ((S)-N-(1-(4-(6-fluoro-2-oxo-2,3-dihydro-1H-benzo[d...) Show SMILES C[C@@H](CN1CCC(CC1)n1c2cc(F)ccc2[nH]c1=O)NC(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C26H27FN4O2/c1-17(28-25(32)20-7-6-18-4-2-3-5-19(18)14-20)16-30-12-10-22(11-13-30)31-24-15-21(27)8-9-23(24)29-26(31)33/h2-9,14-15,17,22H,10-13,16H2,1H3,(H,28,32)(H,29,33)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of human PLD1 in Calu1 cells				Bioorg Med Chem Lett 19: 1916-20 (2009) Article DOI: 10.1016/j.bmcl.2009.02.057 BindingDB Entry DOI: 10.7270/Q2VM4C5W
					More data for this Ligand-Target Pair
Phospholipase D1 (Homo sapiens (Human))	BDBM50258131 (CHEMBL492561 | N-(2-(4-(5-bromo-2-oxo-2,3-dihydro-...) Show SMILES Clc1ccc(cc1)C(=O)NCCN1CCC(CC1)n1c2ccc(Br)cc2[nH]c1=O Show InChI InChI=1S/C21H22BrClN4O2/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	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of human PLD1 in Calu1 cells				Bioorg Med Chem Lett 19: 1916-20 (2009) Article DOI: 10.1016/j.bmcl.2009.02.057 BindingDB Entry DOI: 10.7270/Q2VM4C5W
					More data for this Ligand-Target Pair
Phospholipase D1 (Homo sapiens (Human))	BDBM50257530 ((S)-N-(1-(4-(5-chloro-2-oxo-2,3-dihydro-1H-benzo[d...) Show SMILES C[C@@H](CN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O)NC(=O)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C22H23ClF2N4O2/c1-13(26-21(30)14-2-4-17(24)18(25)10-14)12-28-8-6-16(7-9-28)29-20-5-3-15(23)11-19(20)27-22(29)31/h2-5,10-11,13,16H,6-9,12H2,1H3,(H,26,30)(H,27,31)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of human PLD1 in Calu1 cells				Bioorg Med Chem Lett 19: 1916-20 (2009) Article DOI: 10.1016/j.bmcl.2009.02.057 BindingDB Entry DOI: 10.7270/Q2VM4C5W
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.29	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description Shown are the IC50s (concentrations causing 50% inhibition) of DM and the analogues for the in vitro kinase assays using the following purified human...				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
Phospholipase D1 (Homo sapiens (Human))	BDBM50257531 ((S)-N-(1-(4-(5-bromo-2-oxo-2,3-dihydro-1H-benzo[d]...) Show SMILES C[C@@H](CN1CCC(CC1)n1c2ccc(Br)cc2[nH]c1=O)NC(=O)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C22H23BrF2N4O2/c1-13(26-21(30)14-2-4-17(24)18(25)10-14)12-28-8-6-16(7-9-28)29-20-5-3-15(23)11-19(20)27-22(29)31/h2-5,10-11,13,16H,6-9,12H2,1H3,(H,26,30)(H,27,31)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of human PLD1 in Calu1 cells				Bioorg Med Chem Lett 19: 1916-20 (2009) Article DOI: 10.1016/j.bmcl.2009.02.057 BindingDB Entry DOI: 10.7270/Q2VM4C5W
					More data for this Ligand-Target Pair
Phospholipase D1 (Homo sapiens (Human))	BDBM50257541 ((1R,2R)-N-([S]-1-{4-[5-bromo-2-oxo-2,3-dihydro-1H-...) Show SMILES C[C@@H](CN1CCC(CC1)n1c2ccc(Br)cc2[nH]c1=O)NC(=O)[C@@H]1C[C@H]1c1ccccc1 |r| 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 CHEMBL 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 Medical Center Curated by ChEMBL					Assay Description Inhibition of human PLD1 in Calu1 cells				Bioorg Med Chem Lett 19: 1916-20 (2009) Article DOI: 10.1016/j.bmcl.2009.02.057 BindingDB Entry DOI: 10.7270/Q2VM4C5W
					More data for this Ligand-Target Pair
Phospholipase D1 (Homo sapiens (Human))	BDBM50258128 (CHEMBL493010 | N-(2-(4-(5-fluoro-2-oxo-2,3-dihydro...) Show SMILES Fc1ccc2n(C3CCN(CCNC(=O)c4ccc5ccccc5c4)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C25H25FN4O2/c26-20-7-8-23-22(16-20)28-25(32)30(23)21-9-12-29(13-10-21)14-11-27-24(31)19-6-5-17-3-1-2-4-18(17)15-19/h1-8,15-16,21H,9-14H2,(H,27,31)(H,28,32)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	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 PLD1 in Calu1 cells				Bioorg Med Chem Lett 19: 1916-20 (2009) Article DOI: 10.1016/j.bmcl.2009.02.057 BindingDB Entry DOI: 10.7270/Q2VM4C5W
					More data for this Ligand-Target Pair
Phospholipase D1 (Homo sapiens (Human))	BDBM50258179 (CHEMBL521990 | N-(2-(4-(5-bromo-2-oxo-2,3-dihydro-...) Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCC(CC1)n1c2ccc(Br)cc2[nH]c1=O Show InChI InChI=1S/C21H22BrFN4O2/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	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	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 PLD1 in Calu1 cells				Bioorg Med Chem Lett 19: 1916-20 (2009) Article DOI: 10.1016/j.bmcl.2009.02.057 BindingDB Entry DOI: 10.7270/Q2VM4C5W
					More data for this Ligand-Target Pair
Phospholipase D1 (Homo sapiens (Human))	BDBM50258181 (3,4-difluoro-N-(2-(4-(6-fluoro-2-oxo-2,3-dihydro-1...) Show SMILES Fc1ccc2[nH]c(=O)n(C3CCN(CCNC(=O)c4ccc(F)c(F)c4)CC3)c2c1 Show InChI InChI=1S/C21H21F3N4O2/c22-14-2-4-18-19(12-14)28(21(30)26-18)15-5-8-27(9-6-15)10-7-25-20(29)13-1-3-16(23)17(24)11-13/h1-4,11-12,15H,5-10H2,(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	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 PLD1 in Calu1 cells				Bioorg Med Chem Lett 19: 1916-20 (2009) Article DOI: 10.1016/j.bmcl.2009.02.057 BindingDB Entry DOI: 10.7270/Q2VM4C5W
					More data for this Ligand-Target Pair
Phospholipase D1 (Homo sapiens (Human))	BDBM50257540 ((S)-N-(1-(4-(5-bromo-2-oxo-2,3-dihydro-1H-benzo[d]...) Show SMILES C[C@@H](CN1CCC(CC1)n1c2ccc(Br)cc2[nH]c1=O)NC(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C22H24BrClN4O2/c1-14(25-21(29)15-2-5-17(24)6-3-15)13-27-10-8-18(9-11-27)28-20-7-4-16(23)12-19(20)26-22(28)30/h2-7,12,14,18H,8-11,13H2,1H3,(H,25,29)(H,26,30)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	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 PLD1 in Calu1 cells				Bioorg Med Chem Lett 19: 1916-20 (2009) Article DOI: 10.1016/j.bmcl.2009.02.057 BindingDB Entry DOI: 10.7270/Q2VM4C5W
					More data for this Ligand-Target Pair
Phospholipase D1 (Homo sapiens (Human))	BDBM50257581 ((S)-N-(1-(4-(5-bromo-2-oxo-2,3-dihydro-1H-benzo[d]...) Show SMILES C[C@@H](CN1CCC(CC1)n1c2ccc(Br)cc2[nH]c1=O)NC(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C26H27BrN4O2/c1-17(28-25(32)20-7-6-18-4-2-3-5-19(18)14-20)16-30-12-10-22(11-13-30)31-24-9-8-21(27)15-23(24)29-26(31)33/h2-9,14-15,17,22H,10-13,16H2,1H3,(H,28,32)(H,29,33)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of human PLD1 in Calu1 cells				Bioorg Med Chem Lett 19: 1916-20 (2009) Article DOI: 10.1016/j.bmcl.2009.02.057 BindingDB Entry DOI: 10.7270/Q2VM4C5W
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.14	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description Shown are the IC50s (concentrations causing 50% inhibition) of DM and the analogues for the in vitro kinase assays using the following purified human...				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
Phospholipase D1 (Homo sapiens (Human))	BDBM50257528 ((S)-4-chloro-N-(1-(4-(5-chloro-2-oxo-2,3-dihydro-1...) Show SMILES C[C@@H](CN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O)NC(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C22H24Cl2N4O2/c1-14(25-21(29)15-2-4-16(23)5-3-15)13-27-10-8-18(9-11-27)28-20-7-6-17(24)12-19(20)26-22(28)30/h2-7,12,14,18H,8-11,13H2,1H3,(H,25,29)(H,26,30)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of human PLD1 in Calu1 cells				Bioorg Med Chem Lett 19: 1916-20 (2009) Article DOI: 10.1016/j.bmcl.2009.02.057 BindingDB Entry DOI: 10.7270/Q2VM4C5W
					More data for this Ligand-Target Pair
Phospholipase D1 (Homo sapiens (Human))	BDBM50258180 (4-chloro-N-(2-(4-(6-fluoro-2-oxo-2,3-dihydro-1H-be...) Show SMILES Fc1ccc2[nH]c(=O)n(C3CCN(CCNC(=O)c4ccc(Cl)cc4)CC3)c2c1 Show InChI InChI=1S/C21H22ClFN4O2/c22-15-3-1-14(2-4-15)20(28)24-9-12-26-10-7-17(8-11-26)27-19-13-16(23)5-6-18(19)25-21(27)29/h1-6,13,17H,7-12H2,(H,24,28)(H,25,29)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 human PLD1 in Calu1 cells				Bioorg Med Chem Lett 19: 1916-20 (2009) Article DOI: 10.1016/j.bmcl.2009.02.057 BindingDB Entry DOI: 10.7270/Q2VM4C5W
					More data for this Ligand-Target Pair
Phospholipase D1 (Homo sapiens (Human))	BDBM50258263 ((S)-4-chloro-N-(1-(4-(5-fluoro-2-oxo-2,3-dihydro-1...) Show SMILES C[C@@H](CN1CCC(CC1)n1c2ccc(F)cc2[nH]c1=O)NC(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C22H24ClFN4O2/c1-14(25-21(29)15-2-4-16(23)5-3-15)13-27-10-8-18(9-11-27)28-20-7-6-17(24)12-19(20)26-22(28)30/h2-7,12,14,18H,8-11,13H2,1H3,(H,25,29)(H,26,30)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of human PLD1 in Calu1 cells				Bioorg Med Chem Lett 19: 1916-20 (2009) Article DOI: 10.1016/j.bmcl.2009.02.057 BindingDB Entry DOI: 10.7270/Q2VM4C5W
					More data for this Ligand-Target Pair
Phospholipase D1 (Homo sapiens (Human))	BDBM50206153 (CHEMBL246032 | N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo...) Show SMILES O=C(NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1cnc2ccccc2c1 Show InChI InChI=1S/C24H25N5O2/c30-23(18-15-17-5-1-2-6-20(17)26-16-18)25-11-14-28-12-9-19(10-13-28)29-22-8-4-3-7-21(22)27-24(29)31/h1-8,15-16,19H,9-14H2,(H,25,30)(H,27,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of human PLD1 in Calu1 cells				Bioorg Med Chem Lett 19: 1916-20 (2009) Article DOI: 10.1016/j.bmcl.2009.02.057 BindingDB Entry DOI: 10.7270/Q2VM4C5W
					More data for this Ligand-Target Pair
Phospholipase D1 (Homo sapiens (Human))	BDBM50257529 (CHEMBL521677 | racemic trans-N-((S)-1-(4-(5-chloro...) Show SMILES C[C@@H](CN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O)NC(=O)[C@@H]1C[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C25H29ClN4O2/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	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of human PLD1 in Calu1 cells				Bioorg Med Chem Lett 19: 1916-20 (2009) Article DOI: 10.1016/j.bmcl.2009.02.057 BindingDB Entry DOI: 10.7270/Q2VM4C5W
					More data for this Ligand-Target Pair
Phospholipase D1 (Homo sapiens (Human))	BDBM50258083 (CHEMBL494183 | N-(2-(4-(5-chloro-2-oxo-2,3-dihydro...) Show SMILES Cc1ccc(cc1)C(=O)NCCN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O Show InChI InChI=1S/C22H25ClN4O2/c1-15-2-4-16(5-3-15)21(28)24-10-13-26-11-8-18(9-12-26)27-20-7-6-17(23)14-19(20)25-22(27)29/h2-7,14,18H,8-13H2,1H3,(H,24,28)(H,25,29)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of human PLD1 in Calu1 cells				Bioorg Med Chem Lett 19: 1916-20 (2009) Article DOI: 10.1016/j.bmcl.2009.02.057 BindingDB Entry DOI: 10.7270/Q2VM4C5W
					More data for this Ligand-Target Pair
Phospholipase D1 (Homo sapiens (Human))	BDBM50258264 ((S)-N-(1-(4-(5-chloro-2-oxo-2,3-dihydro-1H-benzo[d...) Show SMILES C[C@@H](CN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O)NC(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C22H24ClFN4O2/c1-14(25-21(29)15-2-5-17(24)6-3-15)13-27-10-8-18(9-11-27)28-20-7-4-16(23)12-19(20)26-22(28)30/h2-7,12,14,18H,8-11,13H2,1H3,(H,25,29)(H,26,30)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of human PLD1 in Calu1 cells				Bioorg Med Chem Lett 19: 1916-20 (2009) Article DOI: 10.1016/j.bmcl.2009.02.057 BindingDB Entry DOI: 10.7270/Q2VM4C5W
					More data for this Ligand-Target Pair
Phospholipase D1 (Homo sapiens (Human))	BDBM50258262 ((S)-4-fluoro-N-(1-(4-(5-fluoro-2-oxo-2,3-dihydro-1...) Show SMILES C[C@@H](CN1CCC(CC1)n1c2ccc(F)cc2[nH]c1=O)NC(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C22H24F2N4O2/c1-14(25-21(29)15-2-4-16(23)5-3-15)13-27-10-8-18(9-11-27)28-20-7-6-17(24)12-19(20)26-22(28)30/h2-7,12,14,18H,8-11,13H2,1H3,(H,25,29)(H,26,30)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of human PLD1 in Calu1 cells				Bioorg Med Chem Lett 19: 1916-20 (2009) Article DOI: 10.1016/j.bmcl.2009.02.057 BindingDB Entry DOI: 10.7270/Q2VM4C5W
					More data for this Ligand-Target Pair
Phospholipase D1 (Homo sapiens (Human))	BDBM50258130 (4-fluoro-N-(2-(4-(5-fluoro-2-oxo-2,3-dihydro-1H-be...) Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCC(CC1)n1c2ccc(F)cc2[nH]c1=O Show InChI InChI=1S/C21H22F2N4O2/c22-15-3-1-14(2-4-15)20(28)24-9-12-26-10-7-17(8-11-26)27-19-6-5-16(23)13-18(19)25-21(27)29/h1-6,13,17H,7-12H2,(H,24,28)(H,25,29)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of human PLD1 in Calu1 cells				Bioorg Med Chem Lett 19: 1916-20 (2009) Article DOI: 10.1016/j.bmcl.2009.02.057 BindingDB Entry DOI: 10.7270/Q2VM4C5W
					More data for this Ligand-Target Pair
Phospholipase D1 (Homo sapiens (Human))	BDBM50257591 (CHEMBL493736 | racemic trans-N-((S)-1-(4-(6-fluoro...) Show SMILES C[C@@H](CN1CCC(CC1)n1c2cc(F)ccc2[nH]c1=O)NC(=O)[C@@H]1C[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C25H29FN4O2/c1-16(27-24(31)21-14-20(21)17-5-3-2-4-6-17)15-29-11-9-19(10-12-29)30-23-13-18(26)7-8-22(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	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of human PLD1 in Calu1 cells				Bioorg Med Chem Lett 19: 1916-20 (2009) Article DOI: 10.1016/j.bmcl.2009.02.057 BindingDB Entry DOI: 10.7270/Q2VM4C5W
					More data for this Ligand-Target Pair
Phospholipase D2 (Homo sapiens (Human))	BDBM50258181 (3,4-difluoro-N-(2-(4-(6-fluoro-2-oxo-2,3-dihydro-1...) Show SMILES Fc1ccc2[nH]c(=O)n(C3CCN(CCNC(=O)c4ccc(F)c(F)c4)CC3)c2c1 Show InChI InChI=1S/C21H21F3N4O2/c22-14-2-4-18-19(12-14)28(21(30)26-18)15-5-8-27(9-6-15)10-7-25-20(29)13-1-3-16(23)17(24)11-13/h1-4,11-12,15H,5-10H2,(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	14	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of GFP-labelled human PLD2 HEK293 cells				Bioorg Med Chem Lett 19: 1916-20 (2009) Article DOI: 10.1016/j.bmcl.2009.02.057 BindingDB Entry DOI: 10.7270/Q2VM4C5W
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50269526 ((1S,2R,4aR,4bR,6aS,6bS,7R,9aS,10aS,12aR)-2-Acetoxy...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#6]-[#6@@H]-1-[#6@@H]2-[#6@H](-[#6][C@]3([#6])[#6]-4=[#6]-[#6]-[#6@@H]5[C@]([#6])([#6]-[#6]-[#6@@H](-[#8]-[#6](-[#6])=O)[C@@]5([#6])[#6](-[#8])=O)[#6@H]-4-[#6]-[#6][C@@]23[#6])-[#8]-[#6]-1=O |r,t:13| Show InChI InChI=1S/C32H44O7/c1-17(2)14-19(34)15-20-26-23(39-27(20)35)16-31(6)22-8-9-24-29(4,21(22)10-13-30(26,31)5)12-11-25(38-18(3)33)32(24,7)28(36)37/h8,14,20-21,23-26H,9-13,15-16H2,1-7H3,(H,36,37)/t20-,21+,23+,24-,25-,26-,29-,30+,31-,32+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of human thrombin by fibrinogen-clot assay				J Nat Prod 61: 1328-31 (1999) Article DOI: 10.1021/np970464j BindingDB Entry DOI: 10.7270/Q2X63MQ2
					More data for this Ligand-Target Pair
Phospholipase D1 (Homo sapiens (Human))	BDBM50258129 (4-chloro-N-(2-(4-(5-fluoro-2-oxo-2,3-dihydro-1H-be...) Show SMILES Fc1ccc2n(C3CCN(CCNC(=O)c4ccc(Cl)cc4)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C21H22ClFN4O2/c22-15-3-1-14(2-4-15)20(28)24-9-12-26-10-7-17(8-11-26)27-19-6-5-16(23)13-18(19)25-21(27)29/h1-6,13,17H,7-12H2,(H,24,28)(H,25,29)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of human PLD1 in Calu1 cells				Bioorg Med Chem Lett 19: 1916-20 (2009) Article DOI: 10.1016/j.bmcl.2009.02.057 BindingDB Entry DOI: 10.7270/Q2VM4C5W
					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	21	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of human PLD1 in Calu1 cells				Bioorg Med Chem Lett 19: 1916-20 (2009) Article DOI: 10.1016/j.bmcl.2009.02.057 BindingDB Entry DOI: 10.7270/Q2VM4C5W
					More data for this Ligand-Target Pair
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 Medical Center Curated by ChEMBL					Assay Description Inhibition of human PLD1 in Calu1 cells				Bioorg Med Chem Lett 19: 1916-20 (2009) Article DOI: 10.1016/j.bmcl.2009.02.057 BindingDB Entry DOI: 10.7270/Q2VM4C5W
					More data for this Ligand-Target Pair
Phospholipase D1 (Homo sapiens (Human))	BDBM50278141 ((S)-N-(1-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec...) Show SMILES C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1ccccc1)NC(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C27H30N4O2/c1-20(29-25(32)23-12-11-21-7-5-6-8-22(21)17-23)18-30-15-13-27(14-16-30)26(33)28-19-31(27)24-9-3-2-4-10-24/h2-12,17,20H,13-16,18-19H2,1H3,(H,28,33)(H,29,32)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt 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
Vanderbilt University Curated by ChEMBL					Assay Description Inhibition of PLD1 in human Calu1 cells				Bioorg Med Chem Lett 19: 2240-3 (2009) Article DOI: 10.1016/j.bmcl.2009.02.125 BindingDB Entry DOI: 10.7270/Q2F76CG5
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50262685 (6-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-3-(pyridin-...) Show SMILES C(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1 Show InChI InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	25.1	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description Shown are the IC50s (concentrations causing 50% inhibition) of DM and the analogues for the in vitro kinase assays using the following purified human...				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM36356 (DMH3 | N,N-dimethyl-3-(4- (3-(quinolin-4-yl)pyrazo...) Show SMILES CN(C)CCCOc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1S/C26H25N5O/c1-30(2)14-5-15-32-21-10-8-19(9-11-21)20-16-28-26-24(17-29-31(26)18-20)22-12-13-27-25-7-4-3-6-23(22)25/h3-4,6-13,16-18H,5,14-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26.7	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description Shown are the IC50s (concentrations causing 50% inhibition) of DM and the analogues for the in vitro kinase assays using the following purified human...				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
Phospholipase D2 (Homo sapiens (Human))	BDBM87188 (CHEMBL471257 | N-[2-(4-keto-1-phenyl-1,3,8-triazas...) Show SMILES O=C(NCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1cc2ccccc2s1 Show InChI InChI=1S/C24H26N4O2S/c29-22(21-16-18-6-4-5-9-20(18)31-21)25-12-15-27-13-10-24(11-14-27)23(30)26-17-28(24)19-7-2-1-3-8-19/h1-9,16H,10-15,17H2,(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	30	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibition of GFP-labeled PLD2 in human HEK293 cells				Bioorg Med Chem Lett 19: 2240-3 (2009) Article DOI: 10.1016/j.bmcl.2009.02.125 BindingDB Entry DOI: 10.7270/Q2F76CG5
					More data for this Ligand-Target Pair
Phospholipase D1 (Homo sapiens (Human))	BDBM50257986 ((1R,2R)-N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imid...) Show SMILES O=C(NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)[C@@H]1C[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C24H28N4O2/c29-23(20-16-19(20)17-6-2-1-3-7-17)25-12-15-27-13-10-18(11-14-27)28-22-9-5-4-8-21(22)26-24(28)30/h1-9,18-20H,10-16H2,(H,25,29)(H,26,30)/t19-,20+/m0/s1	PDB 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 human PLD1 in Calu1 cells				Bioorg Med Chem Lett 19: 1916-20 (2009) Article DOI: 10.1016/j.bmcl.2009.02.057 BindingDB Entry DOI: 10.7270/Q2VM4C5W
					More data for this Ligand-Target Pair
Phospholipase D1 (Homo sapiens (Human))	BDBM50258221 ((S)-3,4-difluoro-N-(1-(4-(4-fluoro-2-oxo-2,3-dihyd...) Show SMILES C[C@@H](CN1CCC(CC1)n1c2cccc(F)c2[nH]c1=O)NC(=O)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C22H23F3N4O2/c1-13(26-21(30)14-5-6-16(23)18(25)11-14)12-28-9-7-15(8-10-28)29-19-4-2-3-17(24)20(19)27-22(29)31/h2-6,11,13,15H,7-10,12H2,1H3,(H,26,30)(H,27,31)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of human PLD1 in Calu1 cells				Bioorg Med Chem Lett 19: 1916-20 (2009) Article DOI: 10.1016/j.bmcl.2009.02.057 BindingDB Entry DOI: 10.7270/Q2VM4C5W
					More data for this Ligand-Target Pair
Phospholipase D1 (Homo sapiens (Human))	BDBM50258036 (CHEMBL494007 | N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo...) Show SMILES O=C(NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)C#Cc1ccccc1 Show InChI InChI=1S/C23H24N4O2/c28-22(11-10-18-6-2-1-3-7-18)24-14-17-26-15-12-19(13-16-26)27-21-9-5-4-8-20(21)25-23(27)29/h1-9,19H,12-17H2,(H,24,28)(H,25,29)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of human PLD1 in Calu1 cells				Bioorg Med Chem Lett 19: 1916-20 (2009) Article DOI: 10.1016/j.bmcl.2009.02.057 BindingDB Entry DOI: 10.7270/Q2VM4C5W
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50262079 (4-(6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyri...) Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1S/C25H22N6/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	40.7	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description Shown are the IC50s (concentrations causing 50% inhibition) of DM and the analogues for the in vitro kinase assays using the following purified human...				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phospholipase D2 (Homo sapiens (Human))	BDBM50258180 (4-chloro-N-(2-(4-(6-fluoro-2-oxo-2,3-dihydro-1H-be...) Show SMILES Fc1ccc2[nH]c(=O)n(C3CCN(CCNC(=O)c4ccc(Cl)cc4)CC3)c2c1 Show InChI InChI=1S/C21H22ClFN4O2/c22-15-3-1-14(2-4-15)20(28)24-9-12-26-10-7-17(8-11-26)27-19-13-16(23)5-6-18(19)25-21(27)29/h1-6,13,17H,7-12H2,(H,24,28)(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of GFP-labelled human PLD2 HEK293 cells				Bioorg Med Chem Lett 19: 1916-20 (2009) Article DOI: 10.1016/j.bmcl.2009.02.057 BindingDB Entry DOI: 10.7270/Q2VM4C5W
					More data for this Ligand-Target Pair
Phospholipase D2 (Homo sapiens (Human))	BDBM50206153 (CHEMBL246032 | N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo...) Show SMILES O=C(NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1cnc2ccccc2c1 Show InChI InChI=1S/C24H25N5O2/c30-23(18-15-17-5-1-2-6-20(17)26-16-18)25-11-14-28-12-9-19(10-13-28)29-22-8-4-3-7-21(22)27-24(29)31/h1-8,15-16,19H,9-14H2,(H,25,30)(H,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of GFP-labelled human PLD2 HEK293 cells				Bioorg Med Chem Lett 19: 1916-20 (2009) Article DOI: 10.1016/j.bmcl.2009.02.057 BindingDB Entry DOI: 10.7270/Q2VM4C5W
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM36355 (4-(2-(4-(3-(quinolin-4-yl)pyrazolo[1,5-a]pyrimidin...) Show SMILES C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1S/C27H25N5O2/c1-2-4-26-24(3-1)23(9-10-28-26)25-18-30-32-19-21(17-29-27(25)32)20-5-7-22(8-6-20)34-16-13-31-11-14-33-15-12-31/h1-10,17-19H,11-16H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42.8	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description Shown are the IC50s (concentrations causing 50% inhibition) of DM and the analogues for the in vitro kinase assays using the following purified human...				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
Phospholipase D1 (Homo sapiens (Human))	BDBM50258219 ((S)-4-chloro-N-(1-(4-(4-fluoro-2-oxo-2,3-dihydro-1...) Show SMILES C[C@@H](CN1CCC(CC1)n1c2cccc(F)c2[nH]c1=O)NC(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C22H24ClFN4O2/c1-14(25-21(29)15-5-7-16(23)8-6-15)13-27-11-9-17(10-12-27)28-19-4-2-3-18(24)20(19)26-22(28)30/h2-8,14,17H,9-13H2,1H3,(H,25,29)(H,26,30)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of human PLD1 in Calu1 cells				Bioorg Med Chem Lett 19: 1916-20 (2009) Article DOI: 10.1016/j.bmcl.2009.02.057 BindingDB Entry DOI: 10.7270/Q2VM4C5W
					More data for this Ligand-Target Pair
Phospholipase D1 (Homo sapiens (Human))	BDBM50258182 ((S)-N-(1-(4-(5-Chloro-2-oxo-2,3-dihydro-1H-benzo[d...) Show SMILES C[C@@H](CN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O)NC(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C26H27ClN4O2/c1-17(28-25(32)20-7-6-18-4-2-3-5-19(18)14-20)16-30-12-10-22(11-13-30)31-24-9-8-21(27)15-23(24)29-26(31)33/h2-9,14-15,17,22H,10-13,16H2,1H3,(H,28,32)(H,29,33)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of human PLD1 in Calu1 cells				Bioorg Med Chem Lett 19: 1916-20 (2009) Article DOI: 10.1016/j.bmcl.2009.02.057 BindingDB Entry DOI: 10.7270/Q2VM4C5W
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50269525 ((2S,4S,7R,8S,9S,12R,13R,16R,19S,20R)-2,9,13,19-tet...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#6]-[#6@@H]-1-[#6@@H]2-[#6@H](-[#6][C@]3([#6])[#6]-4=[#6]-[#6]-[#6@H]5[C@@]6([#6])[#6@@H](-[#6]-[#6][C@]5([#6])[#6@H]-4-[#6]-[#6][C@@]23[#6])-[#8]-[#6]6=O)-[#8]-[#6]-1=O |r,t:13| Show InChI InChI=1S/C30H40O5/c1-16(2)13-17(31)14-18-24-21(34-25(18)32)15-29(5)20-7-8-22-27(3,19(20)9-12-28(24,29)4)11-10-23-30(22,6)26(33)35-23/h7,13,18-19,21-24H,8-12,14-15H2,1-6H3/t18-,19+,21+,22-,23-,24-,27-,28+,29-,30+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of human thrombin by fibrinogen-clot assay				J Nat Prod 61: 1328-31 (1999) Article DOI: 10.1021/np970464j BindingDB Entry DOI: 10.7270/Q2X63MQ2
					More data for this Ligand-Target Pair
Phospholipase D2 (Homo sapiens (Human))	BDBM50258129 (4-chloro-N-(2-(4-(5-fluoro-2-oxo-2,3-dihydro-1H-be...) Show SMILES Fc1ccc2n(C3CCN(CCNC(=O)c4ccc(Cl)cc4)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C21H22ClFN4O2/c22-15-3-1-14(2-4-15)20(28)24-9-12-26-10-7-17(8-11-26)27-19-6-5-16(23)13-18(19)25-21(27)29/h1-6,13,17H,7-12H2,(H,24,28)(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of GFP-labelled human PLD2 HEK293 cells				Bioorg Med Chem Lett 19: 1916-20 (2009) Article DOI: 10.1016/j.bmcl.2009.02.057 BindingDB Entry DOI: 10.7270/Q2VM4C5W
					More data for this Ligand-Target Pair
Phospholipase D1 (Homo sapiens (Human))	BDBM50258222 ((S)-N-(1-(4-(4-fluoro-2-oxo-2,3-dihydro-1H-benzo[d...) Show SMILES C[C@@H](CN1CCC(CC1)n1c2cccc(F)c2[nH]c1=O)NC(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C26H27FN4O2/c1-17(28-25(32)20-10-9-18-5-2-3-6-19(18)15-20)16-30-13-11-21(12-14-30)31-23-8-4-7-22(27)24(23)29-26(31)33/h2-10,15,17,21H,11-14,16H2,1H3,(H,28,32)(H,29,33)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of human PLD1 in Calu1 cells				Bioorg Med Chem Lett 19: 1916-20 (2009) Article DOI: 10.1016/j.bmcl.2009.02.057 BindingDB Entry DOI: 10.7270/Q2VM4C5W
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50269529 ((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl...) Show SMILES [#6]-[#6](=O)-[#8]-[#6][C@]12[#6]-[#6@@H]-3-[#8]-[#6](=O)-[#6@H](-[#6]-[#6](=O)\[#6]=[#6](\[#6])-[#6])-[#6@H]-3[C@]1([#6])[#6@@H](-[#8])-[#6]-[#6@H]1-[#6]2=[#6]-[#6]-[#6@@H]2[C@]1([#6])[#6]-[#6]-[#6@@H](-[#8]-[#6](-[#6])=O)[C@@]2([#6])[#6](=O)-[#8]-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8] |r,t:29| Show InChI InChI=1S/C40H56O15/c1-18(2)12-21(44)13-22-30-25(53-34(22)49)15-40(17-51-19(3)42)23-8-9-27-37(5,24(23)14-28(45)39(30,40)7)11-10-29(52-20(4)43)38(27,6)36(50)55-35-33(48)32(47)31(46)26(16-41)54-35/h8,12,22,24-33,35,41,45-48H,9-11,13-17H2,1-7H3/t22-,24+,25+,26-,27-,28+,29-,30-,31-,32+,33-,35+,37-,38+,39+,40+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of human thrombin by fibrinogen-clot assay				J Nat Prod 61: 1328-31 (1999) Article DOI: 10.1021/np970464j BindingDB Entry DOI: 10.7270/Q2X63MQ2
					More data for this Ligand-Target Pair
Phospholipase D1 (Homo sapiens (Human))	BDBM50258037 (CHEMBL494008 | N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo...) Show SMILES O=C(NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc2ncccc2c1 Show InChI InChI=1S/C24H25N5O2/c30-23(18-7-8-20-17(16-18)4-3-11-25-20)26-12-15-28-13-9-19(10-14-28)29-22-6-2-1-5-21(22)27-24(29)31/h1-8,11,16,19H,9-10,12-15H2,(H,26,30)(H,27,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of human PLD1 in Calu1 cells				Bioorg Med Chem Lett 19: 1916-20 (2009) Article DOI: 10.1016/j.bmcl.2009.02.057 BindingDB Entry DOI: 10.7270/Q2VM4C5W
					More data for this Ligand-Target Pair
Phospholipase D2 (Homo sapiens (Human))	BDBM50258179 (CHEMBL521990 | N-(2-(4-(5-bromo-2-oxo-2,3-dihydro-...) Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCC(CC1)n1c2ccc(Br)cc2[nH]c1=O Show InChI InChI=1S/C21H22BrFN4O2/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	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of GFP-labelled human PLD2 HEK293 cells				Bioorg Med Chem Lett 19: 1916-20 (2009) Article DOI: 10.1016/j.bmcl.2009.02.057 BindingDB Entry DOI: 10.7270/Q2VM4C5W
					More data for this Ligand-Target Pair
Phospholipase D2 (Homo sapiens (Human))	BDBM50278138 (CHEMBL471054 | N-(2-(4-oxo-1-phenyl-1,3,8-triazasp...) Show SMILES O=C(NCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc2ccccc2n1 Show InChI InChI=1S/C25H27N5O2/c31-23(22-11-10-19-6-4-5-9-21(19)28-22)26-14-17-29-15-12-25(13-16-29)24(32)27-18-30(25)20-7-2-1-3-8-20/h1-11H,12-18H2,(H,26,31)(H,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibition of GFP-labeled PLD2 in human HEK293 cells				Bioorg Med Chem Lett 19: 2240-3 (2009) Article DOI: 10.1016/j.bmcl.2009.02.125 BindingDB Entry DOI: 10.7270/Q2F76CG5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50269527 ((1S,2R,4aR,4bR,6S,6aS,6bS,7R,9aS,10aR,12aR)-2-Acet...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#6]-[#6@@H]-1-[#6@@H]2-[#6@H](-[#6][C@]3([#6])[#6]-4=[#6]-[#6]-[#6@@H]5[C@]([#6])([#6]-[#6]-[#6@@H](-[#8]-[#6](-[#6])=O)[C@@]5([#6])[#6](-[#8])=O)[#6@H]-4-[#6]-[#6@H](-[#8])[C@@]23[#6])-[#8]-[#6]-1=O |r,t:13| Show InChI InChI=1S/C32H44O8/c1-16(2)12-18(34)13-19-26-22(40-27(19)36)15-30(5)20-8-9-23-29(4,21(20)14-24(35)32(26,30)7)11-10-25(39-17(3)33)31(23,6)28(37)38/h8,12,19,21-26,35H,9-11,13-15H2,1-7H3,(H,37,38)/t19-,21+,22+,23-,24+,25-,26-,29-,30-,31+,32+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of human thrombin by fibrinogen-clot assay				J Nat Prod 61: 1328-31 (1999) Article DOI: 10.1021/np970464j BindingDB Entry DOI: 10.7270/Q2X63MQ2
					More data for this Ligand-Target Pair

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