Compile Data Set for Download or QSAR

Found 157 hits with Last Name = 'day' and Initial = 'pj'   

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
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50125265 (CHEMBL204021 | N-(2-Diethylamino-ethyl)-2-[2-(4-fl...) Show SMILES CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1c2CCCc2c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C36H38F4N4O2S/c1-3-42(4-2)20-21-43(22-25-8-12-27(13-9-25)28-14-16-29(17-15-28)36(38,39)40)33(45)23-44-32-7-5-6-31(32)34(46)41-35(44)47-24-26-10-18-30(37)19-11-26/h8-19H,3-7,20-24H2,1-2H3	PDB MMDB NCI pathway Reactome pathway 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	0.0350	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Lp-PLA2 in whole human plasma pre-incubated for 15 mins before 2-thio-PAF substrate addition				J Med Chem 59: 10738-10749 (2016) Article DOI: 10.1021/acs.jmedchem.6b01427 BindingDB Entry DOI: 10.7270/Q27946ND
					More data for this Ligand-Target Pair				3D Structure (crystal)
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50125265 (CHEMBL204021 | N-(2-Diethylamino-ethyl)-2-[2-(4-fl...) Show SMILES CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1c2CCCc2c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C36H38F4N4O2S/c1-3-42(4-2)20-21-43(22-25-8-12-27(13-9-25)28-14-16-29(17-15-28)36(38,39)40)33(45)23-44-32-7-5-6-31(32)34(46)41-35(44)47-24-26-10-18-30(37)19-11-26/h8-19H,3-7,20-24H2,1-2H3	PDB MMDB NCI pathway Reactome pathway 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	0.0490	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant human Lp-PLA2 incubated for 20 mins by Thio-PAF assay				J Med Chem 59: 10738-10749 (2016) Article DOI: 10.1021/acs.jmedchem.6b01427 BindingDB Entry DOI: 10.7270/Q27946ND
					More data for this Ligand-Target Pair				3D Structure (crystal)
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50125265 (CHEMBL204021 | N-(2-Diethylamino-ethyl)-2-[2-(4-fl...) Show SMILES CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1c2CCCc2c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C36H38F4N4O2S/c1-3-42(4-2)20-21-43(22-25-8-12-27(13-9-25)28-14-16-29(17-15-28)36(38,39)40)33(45)23-44-32-7-5-6-31(32)34(46)41-35(44)47-24-26-10-18-30(37)19-11-26/h8-19H,3-7,20-24H2,1-2H3	PDB MMDB NCI pathway Reactome pathway 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	0.0490	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant human Lp-PLA2 pre-incubated for 30 mins before PED6 fluorogenic substrate				J Med Chem 59: 10738-10749 (2016) Article DOI: 10.1021/acs.jmedchem.6b01427 BindingDB Entry DOI: 10.7270/Q27946ND
					More data for this Ligand-Target Pair				3D Structure (crystal)
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50125265 (CHEMBL204021 | N-(2-Diethylamino-ethyl)-2-[2-(4-fl...) Show SMILES CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1c2CCCc2c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C36H38F4N4O2S/c1-3-42(4-2)20-21-43(22-25-8-12-27(13-9-25)28-14-16-29(17-15-28)36(38,39)40)33(45)23-44-32-7-5-6-31(32)34(46)41-35(44)47-24-26-10-18-30(37)19-11-26/h8-19H,3-7,20-24H2,1-2H3	PDB MMDB NCI pathway Reactome pathway 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	0.0490	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human recombinant Lp-PLA2 using 2-thio-PAF as substrate after 20 mins by CPM-based fluorescence assay				J Med Chem 59: 5356-67 (2016) Article DOI: 10.1021/acs.jmedchem.6b00212 BindingDB Entry DOI: 10.7270/Q2Z60R0G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50182422 (CHEMBL3818650) Show SMILES COC(CO)Cn1ccc(Nc2cc(c(C)cc2OCCN)-c2ccccc2C)n1 Show InChI InChI=1S/C23H30N4O3/c1-16-6-4-5-7-19(16)20-13-21(22(12-17(20)2)30-11-9-24)25-23-8-10-27(26-23)14-18(15-28)29-3/h4-8,10,12-13,18,28H,9,11,14-15,24H2,1-3H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human recombinant Lp-PLA2 using 2-thio-PAF as substrate after 20 mins by CPM-based fluorescence assay				J Med Chem 59: 5356-67 (2016) Article DOI: 10.1021/acs.jmedchem.6b00212 BindingDB Entry DOI: 10.7270/Q2Z60R0G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM13216 (BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...) Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of DDR2 (unknown origin) after 1 hr by time resolved fluorescence method				ACS Med Chem Lett 6: 798-803 (2015) Article DOI: 10.1021/acsmedchemlett.5b00143 BindingDB Entry DOI: 10.7270/Q2SQ925G
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50182421 (CHEMBL3817896) Show SMILES COC(CO)Cc1csc(Nc2cc(c(C)cc2OCCN)-c2ccccc2C)n1 Show InChI InChI=1S/C23H29N3O3S/c1-15-6-4-5-7-19(15)20-12-21(22(10-16(20)2)29-9-8-24)26-23-25-17(14-30-23)11-18(13-27)28-3/h4-7,10,12,14,18,27H,8-9,11,13,24H2,1-3H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human recombinant Lp-PLA2 using 2-thio-PAF as substrate after 20 mins by CPM-based fluorescence assay				J Med Chem 59: 5356-67 (2016) Article DOI: 10.1021/acs.jmedchem.6b00212 BindingDB Entry DOI: 10.7270/Q2Z60R0G
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50112617 (CHEMBL3608786) Show SMILES Cc1ccc(CNC(=O)Nc2cccc(F)c2)cc1NC(=O)c1cnc2ccccn12 Show InChI InChI=1S/C23H20FN5O2/c1-15-8-9-16(13-26-23(31)27-18-6-4-5-17(24)12-18)11-19(15)28-22(30)20-14-25-21-7-2-3-10-29(20)21/h2-12,14H,13H2,1H3,(H,28,30)(H2,26,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of DDR2 (unknown origin) after 1 hr by time resolved fluorescence method				ACS Med Chem Lett 6: 798-803 (2015) Article DOI: 10.1021/acsmedchemlett.5b00143 BindingDB Entry DOI: 10.7270/Q2SQ925G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50182420 (CHEMBL3819600) Show SMILES COC(CO)Cc1csc(Nc2cc(c(C)cc2OC)-c2ccccc2C)n1 Show InChI InChI=1S/C22H26N2O3S/c1-14-7-5-6-8-18(14)19-11-20(21(27-4)9-15(19)2)24-22-23-16(13-28-22)10-17(12-25)26-3/h5-9,11,13,17,25H,10,12H2,1-4H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human recombinant Lp-PLA2 using 2-thio-PAF as substrate after 20 mins by CPM-based fluorescence assay				J Med Chem 59: 5356-67 (2016) Article DOI: 10.1021/acs.jmedchem.6b00212 BindingDB Entry DOI: 10.7270/Q2Z60R0G
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50112628 (CHEMBL3608789) Show SMILES C[C@H](NC(=O)Nc1cccc(F)c1)c1ccc(C)c(NC(=O)c2cnc3ccccn23)c1 |r| Show InChI InChI=1S/C24H22FN5O2/c1-15-9-10-17(16(2)27-24(32)28-19-7-5-6-18(25)13-19)12-20(15)29-23(31)21-14-26-22-8-3-4-11-30(21)22/h3-14,16H,1-2H3,(H,29,31)(H2,27,28,32)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of DDR2 (unknown origin) after 1 hr by time resolved fluorescence method				ACS Med Chem Lett 6: 798-803 (2015) Article DOI: 10.1021/acsmedchemlett.5b00143 BindingDB Entry DOI: 10.7270/Q2SQ925G
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50112631 (CHEMBL3608790) Show SMILES C[C@H](NC(=O)c1cccc(c1)C(F)(F)F)c1ccc(C)c(NC(=O)c2cnc3ccccn23)c1 |r| Show InChI InChI=1S/C25H21F3N4O2/c1-15-9-10-17(16(2)30-23(33)18-6-5-7-19(12-18)25(26,27)28)13-20(15)31-24(34)21-14-29-22-8-3-4-11-32(21)22/h3-14,16H,1-2H3,(H,30,33)(H,31,34)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of DDR2 (unknown origin) after 1 hr by time resolved fluorescence method				ACS Med Chem Lett 6: 798-803 (2015) Article DOI: 10.1021/acsmedchemlett.5b00143 BindingDB Entry DOI: 10.7270/Q2SQ925G
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50112618 (CHEMBL3608787) Show SMILES C[C@H](NC(=O)Nc1ccccc1)c1ccc(C)c(NC(=O)c2cnc3ccccn23)c1 |r| Show InChI InChI=1S/C24H23N5O2/c1-16-11-12-18(17(2)26-24(31)27-19-8-4-3-5-9-19)14-20(16)28-23(30)21-15-25-22-10-6-7-13-29(21)22/h3-15,17H,1-2H3,(H,28,30)(H2,26,27,31)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of DDR1 (unknown origin) after 1 hr by time resolved fluorescence method				ACS Med Chem Lett 6: 798-803 (2015) Article DOI: 10.1021/acsmedchemlett.5b00143 BindingDB Entry DOI: 10.7270/Q2SQ925G
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50112634 (CHEMBL3608791) Show SMILES C[C@H](Nc1nc2cc(F)ccc2o1)c1ccc(C)c(NC(=O)c2cnc3ccccn23)c1 |r| Show InChI InChI=1S/C24H20FN5O2/c1-14-6-7-16(15(2)27-24-29-19-12-17(25)8-9-21(19)32-24)11-18(14)28-23(31)20-13-26-22-5-3-4-10-30(20)22/h3-13,15H,1-2H3,(H,27,29)(H,28,31)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of DDR2 (unknown origin) after 1 hr by time resolved fluorescence method				ACS Med Chem Lett 6: 798-803 (2015) Article DOI: 10.1021/acsmedchemlett.5b00143 BindingDB Entry DOI: 10.7270/Q2SQ925G
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM50043378 (CHEMBL3355064) Show SMILES FC(F)(F)c1cc(OCC#Cc2ccc3ccncc3c2)ccc1CN1CCNCC1 Show InChI InChI=1S/C24H22F3N3O/c25-24(26,27)23-15-22(6-5-20(23)17-30-11-9-28-10-12-30)31-13-1-2-18-3-4-19-7-8-29-16-21(19)14-18/h3-8,14-16,28H,9-13,17H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MELK (unknown origin) using KKLNRTLSFAEPG substrate by Millipore/scintillation counting analysis				ACS Med Chem Lett 6: 31-6 (2015) Article DOI: 10.1021/ml5001273 BindingDB Entry DOI: 10.7270/Q26111XQ
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50112618 (CHEMBL3608787) Show SMILES C[C@H](NC(=O)Nc1ccccc1)c1ccc(C)c(NC(=O)c2cnc3ccccn23)c1 |r| Show InChI InChI=1S/C24H23N5O2/c1-16-11-12-18(17(2)26-24(31)27-19-8-4-3-5-9-19)14-20(16)28-23(30)21-15-25-22-10-6-7-13-29(21)22/h3-15,17H,1-2H3,(H,28,30)(H2,26,27,31)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of DDR2 (unknown origin) after 1 hr by time resolved fluorescence method				ACS Med Chem Lett 6: 798-803 (2015) Article DOI: 10.1021/acsmedchemlett.5b00143 BindingDB Entry DOI: 10.7270/Q2SQ925G
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50112615 (CHEMBL3608785) Show SMILES Cc1ccc(CNC(=O)Nc2ccccc2)cc1NC(=O)c1cnc2ccccn12 Show InChI InChI=1S/C23H21N5O2/c1-16-10-11-17(14-25-23(30)26-18-7-3-2-4-8-18)13-19(16)27-22(29)20-15-24-21-9-5-6-12-28(20)21/h2-13,15H,14H2,1H3,(H,27,29)(H2,25,26,30)	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	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of DDR2 (unknown origin) after 1 hr by time resolved fluorescence method				ACS Med Chem Lett 6: 798-803 (2015) Article DOI: 10.1021/acsmedchemlett.5b00143 BindingDB Entry DOI: 10.7270/Q2SQ925G
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50182419 (CHEMBL3819444) Show SMILES COC(CO)Cc1csc(Nc2ccc(C)c(c2)-c2ccccc2C)n1 Show InChI InChI=1S/C21H24N2O2S/c1-14-6-4-5-7-19(14)20-11-16(9-8-15(20)2)22-21-23-17(13-26-21)10-18(12-24)25-3/h4-9,11,13,18,24H,10,12H2,1-3H3,(H,22,23)	PDB MMDB NCI pathway 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	9.5	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human recombinant Lp-PLA2 using 2-thio-PAF as substrate after 20 mins by CPM-based fluorescence assay				J Med Chem 59: 5356-67 (2016) Article DOI: 10.1021/acs.jmedchem.6b00212 BindingDB Entry DOI: 10.7270/Q2Z60R0G
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50112615 (CHEMBL3608785) Show SMILES Cc1ccc(CNC(=O)Nc2ccccc2)cc1NC(=O)c1cnc2ccccn12 Show InChI InChI=1S/C23H21N5O2/c1-16-10-11-17(14-25-23(30)26-18-7-3-2-4-8-18)13-19(16)27-22(29)20-15-24-21-9-5-6-12-28(20)21/h2-13,15H,14H2,1H3,(H,27,29)(H2,25,26,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of c-Kit (unknown origin) using biotinylated HER2 peptide as substrate by time resolved fluorescence method				ACS Med Chem Lett 6: 798-803 (2015) Article DOI: 10.1021/acsmedchemlett.5b00143 BindingDB Entry DOI: 10.7270/Q2SQ925G
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM156012 (US9018214, 63) Show SMILES COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(Cc3ccccc3)cc12 |r| Show InChI InChI=1S/C25H34N4O2/c1-18-14-28(21(12-26-18)16-31-4)15-24(30)29-17-25(2,3)22-13-27-20(11-23(22)29)10-19-8-6-5-7-9-19/h5-9,11,13,18,21,26H,10,12,14-17H2,1-4H3/t18-,21-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at cIAP1-BIR3 domain (unknown origin) assessed as inhibition of interaction with SMAC by fluorescence polarization assay				J Med Chem 58: 6574-88 (2015) Article DOI: 10.1021/acs.jmedchem.5b00706 BindingDB Entry DOI: 10.7270/Q2DR2X8F
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50043380 (CHEMBL3355065) Show SMILES CNc1cc2ccc(cc2cn1)C#CCOc1ccc(CN2CCNCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C25H25F3N4O/c1-29-24-14-19-5-4-18(13-21(19)16-31-24)3-2-12-33-22-7-6-20(23(15-22)25(26,27)28)17-32-10-8-30-9-11-32/h4-7,13-16,30H,8-12,17H2,1H3,(H,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of RET (unknown origin)				ACS Med Chem Lett 6: 31-6 (2015) Article DOI: 10.1021/ml5001273 BindingDB Entry DOI: 10.7270/Q26111XQ
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50182422 (CHEMBL3818650) Show SMILES COC(CO)Cn1ccc(Nc2cc(c(C)cc2OCCN)-c2ccccc2C)n1 Show InChI InChI=1S/C23H30N4O3/c1-16-6-4-5-7-19(16)20-13-21(22(12-17(20)2)30-11-9-24)25-23-8-10-27(26-23)14-18(15-28)29-3/h4-8,10,12-13,18,28H,9,11,14-15,24H2,1-3H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Lp-PLA2 in human whole plasma using 2-thio-PAF as substrate preincubated for 15 mins followed by substrate addition measured after 3 mi...				J Med Chem 59: 5356-67 (2016) Article DOI: 10.1021/acs.jmedchem.6b00212 BindingDB Entry DOI: 10.7270/Q2Z60R0G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM50043380 (CHEMBL3355065) Show SMILES CNc1cc2ccc(cc2cn1)C#CCOc1ccc(CN2CCNCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C25H25F3N4O/c1-29-24-14-19-5-4-18(13-21(19)16-31-24)3-2-12-33-22-7-6-20(23(15-22)25(26,27)28)17-32-10-8-30-9-11-32/h4-7,13-16,30H,8-12,17H2,1H3,(H,29,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MELK (unknown origin) using KKLNRTLSFAEPG substrate by Millipore/scintillation counting analysis				ACS Med Chem Lett 6: 31-6 (2015) Article DOI: 10.1021/ml5001273 BindingDB Entry DOI: 10.7270/Q26111XQ
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50112617 (CHEMBL3608786) Show SMILES Cc1ccc(CNC(=O)Nc2cccc(F)c2)cc1NC(=O)c1cnc2ccccn12 Show InChI InChI=1S/C23H20FN5O2/c1-15-8-9-16(13-26-23(31)27-18-6-4-5-17(24)12-18)11-19(15)28-22(30)20-14-25-21-7-2-3-10-29(20)21/h2-12,14H,13H2,1H3,(H,28,30)(H2,26,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of c-Kit (unknown origin) using biotinylated HER2 peptide as substrate by time resolved fluorescence method				ACS Med Chem Lett 6: 798-803 (2015) Article DOI: 10.1021/acsmedchemlett.5b00143 BindingDB Entry DOI: 10.7270/Q2SQ925G
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 1 (Homo sapiens (Human))	BDBM50043380 (CHEMBL3355065) Show SMILES CNc1cc2ccc(cc2cn1)C#CCOc1ccc(CN2CCNCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C25H25F3N4O/c1-29-24-14-19-5-4-18(13-21(19)16-31-24)3-2-12-33-22-7-6-20(23(15-22)25(26,27)28)17-32-10-8-30-9-11-32/h4-7,13-16,30H,8-12,17H2,1H3,(H,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Flt1 (unknown origin)				ACS Med Chem Lett 6: 31-6 (2015) Article DOI: 10.1021/ml5001273 BindingDB Entry DOI: 10.7270/Q26111XQ
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM50043380 (CHEMBL3355065) Show SMILES CNc1cc2ccc(cc2cn1)C#CCOc1ccc(CN2CCNCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C25H25F3N4O/c1-29-24-14-19-5-4-18(13-21(19)16-31-24)3-2-12-33-22-7-6-20(23(15-22)25(26,27)28)17-32-10-8-30-9-11-32/h4-7,13-16,30H,8-12,17H2,1H3,(H,29,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MELK (unknown origin)				ACS Med Chem Lett 6: 31-6 (2015) Article DOI: 10.1021/ml5001273 BindingDB Entry DOI: 10.7270/Q26111XQ
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50182421 (CHEMBL3817896) Show SMILES COC(CO)Cc1csc(Nc2cc(c(C)cc2OCCN)-c2ccccc2C)n1 Show InChI InChI=1S/C23H29N3O3S/c1-15-6-4-5-7-19(15)20-12-21(22(10-16(20)2)29-9-8-24)26-23-25-17(14-30-23)11-18(13-27)28-3/h4-7,10,12,14,18,27H,8-9,11,13,24H2,1-3H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Lp-PLA2 in human whole plasma using 2-thio-PAF as substrate preincubated for 15 mins followed by substrate addition measured after 3 mi...				J Med Chem 59: 5356-67 (2016) Article DOI: 10.1021/acs.jmedchem.6b00212 BindingDB Entry DOI: 10.7270/Q2Z60R0G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Yes (Homo sapiens (Human))	BDBM50043380 (CHEMBL3355065) Show SMILES CNc1cc2ccc(cc2cn1)C#CCOc1ccc(CN2CCNCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C25H25F3N4O/c1-29-24-14-19-5-4-18(13-21(19)16-31-24)3-2-12-33-22-7-6-20(23(15-22)25(26,27)28)17-32-10-8-30-9-11-32/h4-7,13-16,30H,8-12,17H2,1H3,(H,29,31)	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	30	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Yes1 (unknown origin)				ACS Med Chem Lett 6: 31-6 (2015) Article DOI: 10.1021/ml5001273 BindingDB Entry DOI: 10.7270/Q26111XQ
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 3 (Homo sapiens (Human))	BDBM50043380 (CHEMBL3355065) Show SMILES CNc1cc2ccc(cc2cn1)C#CCOc1ccc(CN2CCNCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C25H25F3N4O/c1-29-24-14-19-5-4-18(13-21(19)16-31-24)3-2-12-33-22-7-6-20(23(15-22)25(26,27)28)17-32-10-8-30-9-11-32/h4-7,13-16,30H,8-12,17H2,1H3,(H,29,31)	PDB KEGG UniProtKB/SwissProt B.MOAD 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
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Flt4 (unknown origin)				ACS Med Chem Lett 6: 31-6 (2015) Article DOI: 10.1021/ml5001273 BindingDB Entry DOI: 10.7270/Q26111XQ
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50197673 (CHEMBL3922315) Show SMILES CC1(CCS(=O)(=O)CC1)[C@H]1CN(CCOc2ccc(F)c(c2)C#N)C(=O)C1 |r| Show InChI InChI=1S/C19H23FN2O4S/c1-19(4-8-27(24,25)9-5-19)15-11-18(23)22(13-15)6-7-26-16-2-3-17(20)14(10-16)12-21/h2-3,10,15H,4-9,11,13H2,1H3/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Lp-PLA2 in whole human plasma pre-incubated for 15 mins before 2-thio-PAF substrate addition				J Med Chem 59: 10738-10749 (2016) Article DOI: 10.1021/acs.jmedchem.6b01427 BindingDB Entry DOI: 10.7270/Q27946ND
					More data for this Ligand-Target Pair				3D Structure (crystal)
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50125265 (CHEMBL204021 | N-(2-Diethylamino-ethyl)-2-[2-(4-fl...) Show SMILES CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1c2CCCc2c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C36H38F4N4O2S/c1-3-42(4-2)20-21-43(22-25-8-12-27(13-9-25)28-14-16-29(17-15-28)36(38,39)40)33(45)23-44-32-7-5-6-31(32)34(46)41-35(44)47-24-26-10-18-30(37)19-11-26/h8-19H,3-7,20-24H2,1-2H3	PDB MMDB NCI pathway Reactome pathway 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	35	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Lp-PLA2 in human whole plasma using 2-thio-PAF as substrate preincubated for 15 mins followed by substrate addition measured after 3 mi...				J Med Chem 59: 5356-67 (2016) Article DOI: 10.1021/acs.jmedchem.6b00212 BindingDB Entry DOI: 10.7270/Q2Z60R0G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM50043341 (CHEMBL3355059) Show SMILES COc1cc(ccc1C(=O)Nc1ccc2CCNCCc2c1)-c1cn[nH]c1 Show InChI InChI=1S/C21H22N4O2/c1-27-20-11-15(17-12-23-24-13-17)3-5-19(20)21(26)25-18-4-2-14-6-8-22-9-7-16(14)10-18/h2-5,10-13,22H,6-9H2,1H3,(H,23,24)(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MELK kinase (unknown origin) using biotinylated ZIP-tide peptide/gamma[33P]ATP by scintillation counting analysis				ACS Med Chem Lett 6: 25-30 (2015) Article DOI: 10.1021/ml5001245 BindingDB Entry DOI: 10.7270/Q29P3388
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM50043341 (CHEMBL3355059) Show SMILES COc1cc(ccc1C(=O)Nc1ccc2CCNCCc2c1)-c1cn[nH]c1 Show InChI InChI=1S/C21H22N4O2/c1-27-20-11-15(17-12-23-24-13-17)3-5-19(20)21(26)25-18-4-2-14-6-8-22-9-7-16(14)10-18/h2-5,10-13,22H,6-9H2,1H3,(H,23,24)(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MELK (unknown origin)				ACS Med Chem Lett 6: 31-6 (2015) Article DOI: 10.1021/ml5001273 BindingDB Entry DOI: 10.7270/Q26111XQ
					More data for this Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (Homo sapiens (Human))	BDBM50043380 (CHEMBL3355065) Show SMILES CNc1cc2ccc(cc2cn1)C#CCOc1ccc(CN2CCNCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C25H25F3N4O/c1-29-24-14-19-5-4-18(13-21(19)16-31-24)3-2-12-33-22-7-6-20(23(15-22)25(26,27)28)17-32-10-8-30-9-11-32/h4-7,13-16,30H,8-12,17H2,1H3,(H,29,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CSF1R (unknown origin)				ACS Med Chem Lett 6: 31-6 (2015) Article DOI: 10.1021/ml5001273 BindingDB Entry DOI: 10.7270/Q26111XQ
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50043380 (CHEMBL3355065) Show SMILES CNc1cc2ccc(cc2cn1)C#CCOc1ccc(CN2CCNCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C25H25F3N4O/c1-29-24-14-19-5-4-18(13-21(19)16-31-24)3-2-12-33-22-7-6-20(23(15-22)25(26,27)28)17-32-10-8-30-9-11-32/h4-7,13-16,30H,8-12,17H2,1H3,(H,29,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Flt3 (unknown origin)				ACS Med Chem Lett 6: 31-6 (2015) Article DOI: 10.1021/ml5001273 BindingDB Entry DOI: 10.7270/Q26111XQ
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50197653 (CHEMBL3985490) Show SMILES CN1CCC(C)(CC1)[C@H]1CN(CCOc2ccc(F)c(c2)C#N)C(=O)C1 |r| Show InChI InChI=1S/C20H26FN3O2/c1-20(5-7-23(2)8-6-20)16-12-19(25)24(14-16)9-10-26-17-3-4-18(21)15(11-17)13-22/h3-4,11,16H,5-10,12,14H2,1-2H3/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant human Lp-PLA2 pre-incubated for 30 mins before PED6 fluorogenic substrate				J Med Chem 59: 10738-10749 (2016) Article DOI: 10.1021/acs.jmedchem.6b01427 BindingDB Entry DOI: 10.7270/Q27946ND
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50197658 (CHEMBL3897162) Show SMILES CN1CCC(C)(CC1)C1CN(CCOc2ccc(F)c(c2)C#N)C(=O)C1 Show InChI InChI=1S/C20H26FN3O2/c1-20(5-7-23(2)8-6-20)16-12-19(25)24(14-16)9-10-26-17-3-4-18(21)15(11-17)13-22/h3-4,11,16H,5-10,12,14H2,1-2H3	PDB MMDB NCI pathway 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	75	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant human Lp-PLA2 pre-incubated for 30 mins before PED6 fluorogenic substrate				J Med Chem 59: 10738-10749 (2016) Article DOI: 10.1021/acs.jmedchem.6b01427 BindingDB Entry DOI: 10.7270/Q27946ND
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50197651 (CHEMBL3957888) Show SMILES CC1(CCS(=O)(=O)CC1)[C@H]1CN(CCOc2ccc(F)c(F)c2)C(=O)C1 |r| Show InChI InChI=1S/C18H23F2NO4S/c1-18(4-8-26(23,24)9-5-18)13-10-17(22)21(12-13)6-7-25-14-2-3-15(19)16(20)11-14/h2-3,11,13H,4-10,12H2,1H3/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant human Lp-PLA2 pre-incubated for 30 mins before PED6 fluorogenic substrate				J Med Chem 59: 10738-10749 (2016) Article DOI: 10.1021/acs.jmedchem.6b01427 BindingDB Entry DOI: 10.7270/Q27946ND
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50197651 (CHEMBL3957888) Show SMILES CC1(CCS(=O)(=O)CC1)[C@H]1CN(CCOc2ccc(F)c(F)c2)C(=O)C1 |r| Show InChI InChI=1S/C18H23F2NO4S/c1-18(4-8-26(23,24)9-5-18)13-10-17(22)21(12-13)6-7-25-14-2-3-15(19)16(20)11-14/h2-3,11,13H,4-10,12H2,1H3/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Lp-PLA2 in whole human plasma pre-incubated for 15 mins before 2-thio-PAF substrate addition				J Med Chem 59: 10738-10749 (2016) Article DOI: 10.1021/acs.jmedchem.6b01427 BindingDB Entry DOI: 10.7270/Q27946ND
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50197666 (CHEMBL3977401) Show SMILES CC1(CCS(=O)(=O)CC1)C1CN(CCOc2ccc(F)c(c2)C#N)C(=O)C1 Show InChI InChI=1S/C19H23FN2O4S/c1-19(4-8-27(24,25)9-5-19)15-11-18(23)22(13-15)6-7-26-16-2-3-17(20)14(10-16)12-21/h2-3,10,15H,4-9,11,13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Lp-PLA2 in whole human plasma pre-incubated for 15 mins before 2-thio-PAF substrate addition				J Med Chem 59: 10738-10749 (2016) Article DOI: 10.1021/acs.jmedchem.6b01427 BindingDB Entry DOI: 10.7270/Q27946ND
					More data for this Ligand-Target Pair				3D Structure (crystal)
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50197673 (CHEMBL3922315) Show SMILES CC1(CCS(=O)(=O)CC1)[C@H]1CN(CCOc2ccc(F)c(c2)C#N)C(=O)C1 |r| Show InChI InChI=1S/C19H23FN2O4S/c1-19(4-8-27(24,25)9-5-19)15-11-18(23)22(13-15)6-7-26-16-2-3-17(20)14(10-16)12-21/h2-3,10,15H,4-9,11,13H2,1H3/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant human Lp-PLA2 pre-incubated for 30 mins before PED6 fluorogenic substrate				J Med Chem 59: 10738-10749 (2016) Article DOI: 10.1021/acs.jmedchem.6b01427 BindingDB Entry DOI: 10.7270/Q27946ND
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50112628 (CHEMBL3608789) Show SMILES C[C@H](NC(=O)Nc1cccc(F)c1)c1ccc(C)c(NC(=O)c2cnc3ccccn23)c1 |r| Show InChI InChI=1S/C24H22FN5O2/c1-15-9-10-17(16(2)27-24(32)28-19-7-5-6-18(25)13-19)12-20(15)29-23(31)21-14-26-22-8-3-4-11-30(21)22/h3-14,16H,1-2H3,(H,29,31)(H2,27,28,32)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of c-Kit (unknown origin) using biotinylated HER2 peptide as substrate by time resolved fluorescence method				ACS Med Chem Lett 6: 798-803 (2015) Article DOI: 10.1021/acsmedchemlett.5b00143 BindingDB Entry DOI: 10.7270/Q2SQ925G
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50112613 (CHEMBL3608784) Show SMILES O=C(NCc1cccc(NC(=O)c2cnc3ccccn23)c1)Nc1ccccc1 Show InChI InChI=1S/C22H19N5O2/c28-21(19-15-23-20-11-4-5-12-27(19)20)25-18-10-6-7-16(13-18)14-24-22(29)26-17-8-2-1-3-9-17/h1-13,15H,14H2,(H,25,28)(H2,24,26,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of DDR1 (unknown origin) after 1 hr by time resolved fluorescence method				ACS Med Chem Lett 6: 798-803 (2015) Article DOI: 10.1021/acsmedchemlett.5b00143 BindingDB Entry DOI: 10.7270/Q2SQ925G
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50112634 (CHEMBL3608791) Show SMILES C[C@H](Nc1nc2cc(F)ccc2o1)c1ccc(C)c(NC(=O)c2cnc3ccccn23)c1 |r| Show InChI InChI=1S/C24H20FN5O2/c1-14-6-7-16(15(2)27-24-29-19-12-17(25)8-9-21(19)32-24)11-18(14)28-23(31)20-13-26-22-5-3-4-10-30(20)22/h3-13,15H,1-2H3,(H,27,29)(H,28,31)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of c-Kit (unknown origin) using biotinylated HER2 peptide as substrate by time resolved fluorescence method				ACS Med Chem Lett 6: 798-803 (2015) Article DOI: 10.1021/acsmedchemlett.5b00143 BindingDB Entry DOI: 10.7270/Q2SQ925G
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50197657 (CHEMBL3939387) Show SMILES CC1(CCS(=O)(=O)CC1)C1CN(CCOc2ccc(F)c(F)c2)C(=O)C1 Show InChI InChI=1S/C18H23F2NO4S/c1-18(4-8-26(23,24)9-5-18)13-10-17(22)21(12-13)6-7-25-14-2-3-15(19)16(20)11-14/h2-3,11,13H,4-10,12H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant human Lp-PLA2 pre-incubated for 30 mins before PED6 fluorogenic substrate				J Med Chem 59: 10738-10749 (2016) Article DOI: 10.1021/acs.jmedchem.6b01427 BindingDB Entry DOI: 10.7270/Q27946ND
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM156012 (US9018214, 63) Show SMILES COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(Cc3ccccc3)cc12 |r| Show InChI InChI=1S/C25H34N4O2/c1-18-14-28(21(12-26-18)16-31-4)15-24(30)29-17-25(2,3)22-13-27-20(11-23(22)29)10-19-8-6-5-7-9-19/h5-9,11,13,18,21,26H,10,12,14-17H2,1-4H3/t18-,21-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at XIAP-BIR3 domain (unknown origin) assessed as inhibition of interaction with SMAC by fluorescence polarization assay				J Med Chem 58: 6574-88 (2015) Article DOI: 10.1021/acs.jmedchem.5b00706 BindingDB Entry DOI: 10.7270/Q2DR2X8F
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50197665 (CHEMBL3960825) Show SMILES CC1(CCOCC1)C1CN(CCOc2ccc(F)c(c2)C#N)C(=O)C1 Show InChI InChI=1S/C19H23FN2O3/c1-19(4-7-24-8-5-19)15-11-18(23)22(13-15)6-9-25-16-2-3-17(20)14(10-16)12-21/h2-3,10,15H,4-9,11,13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant human Lp-PLA2 pre-incubated for 30 mins before PED6 fluorogenic substrate				J Med Chem 59: 10738-10749 (2016) Article DOI: 10.1021/acs.jmedchem.6b01427 BindingDB Entry DOI: 10.7270/Q27946ND
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50197666 (CHEMBL3977401) Show SMILES CC1(CCS(=O)(=O)CC1)C1CN(CCOc2ccc(F)c(c2)C#N)C(=O)C1 Show InChI InChI=1S/C19H23FN2O4S/c1-19(4-8-27(24,25)9-5-19)15-11-18(23)22(13-15)6-7-26-16-2-3-17(20)14(10-16)12-21/h2-3,10,15H,4-9,11,13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant human Lp-PLA2 pre-incubated for 30 mins before PED6 fluorogenic substrate				J Med Chem 59: 10738-10749 (2016) Article DOI: 10.1021/acs.jmedchem.6b01427 BindingDB Entry DOI: 10.7270/Q27946ND
					More data for this Ligand-Target Pair				3D Structure (crystal)
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50182428 (CHEMBL3819632) Show SMILES Cc1ccc(cc1-c1ccccc1Cl)C(=O)N1CC=CC1 |c:20| Show InChI InChI=1S/C18H16ClNO/c1-13-8-9-14(18(21)20-10-4-5-11-20)12-16(13)15-6-2-3-7-17(15)19/h2-9,12H,10-11H2,1H3	PDB MMDB NCI pathway 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	180	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human recombinant Lp-PLA2 using 2-thio-PAF as substrate after 20 mins by CPM-based fluorescence assay				J Med Chem 59: 5356-67 (2016) Article DOI: 10.1021/acs.jmedchem.6b00212 BindingDB Entry DOI: 10.7270/Q2Z60R0G
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50112613 (CHEMBL3608784) Show SMILES O=C(NCc1cccc(NC(=O)c2cnc3ccccn23)c1)Nc1ccccc1 Show InChI InChI=1S/C22H19N5O2/c28-21(19-15-23-20-11-4-5-12-27(19)20)25-18-10-6-7-16(13-18)14-24-22(29)26-17-8-2-1-3-9-17/h1-13,15H,14H2,(H,25,28)(H2,24,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of c-Kit (unknown origin) using biotinylated HER2 peptide as substrate by time resolved fluorescence method				ACS Med Chem Lett 6: 798-803 (2015) Article DOI: 10.1021/acsmedchemlett.5b00143 BindingDB Entry DOI: 10.7270/Q2SQ925G
					More data for this Ligand-Target Pair
BDNF/NT-3 growth factors receptor (Homo sapiens (Human))	BDBM50043380 (CHEMBL3355065) Show SMILES CNc1cc2ccc(cc2cn1)C#CCOc1ccc(CN2CCNCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C25H25F3N4O/c1-29-24-14-19-5-4-18(13-21(19)16-31-24)3-2-12-33-22-7-6-20(23(15-22)25(26,27)28)17-32-10-8-30-9-11-32/h4-7,13-16,30H,8-12,17H2,1H3,(H,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of NTRK2 (unknown origin)				ACS Med Chem Lett 6: 31-6 (2015) Article DOI: 10.1021/ml5001273 BindingDB Entry DOI: 10.7270/Q26111XQ
					More data for this Ligand-Target Pair

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