Compile Data Set for Download or QSAR

Found 840 hits with Last Name = 'baker' and Initial = 'l'   

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
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50133761 (3-[5-(3-Trifluoromethyl-phenyl)-1H-imidazol-2-yl]-...) Show SMILES FC(F)(F)c1cccc(c1)-c1c[nH]c(n1)-c1cccnc1 Show InChI InChI=1S/C15H10F3N3/c16-15(17,18)12-5-1-3-10(7-12)13-9-20-14(21-13)11-4-2-6-19-8-11/h1-9H,(H,20,21)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells				Bioorg Med Chem Lett 13: 3593-6 (2003) BindingDB Entry DOI: 10.7270/Q2DF6QKD
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50133775 (4-[5-(3,4-Dichloro-phenyl)-1H-imidazol-2-yl]-pyrid...) Show SMILES Clc1ccc(cc1Cl)-c1c[nH]c(n1)-c1ccncc1 Show InChI InChI=1S/C14H9Cl2N3/c15-11-2-1-10(7-12(11)16)13-8-18-14(19-13)9-3-5-17-6-4-9/h1-8H,(H,18,19)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells				Bioorg Med Chem Lett 13: 3593-6 (2003) BindingDB Entry DOI: 10.7270/Q2DF6QKD
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50133780 (3-[5-(3,4-Dichloro-phenyl)-1H-imidazol-2-yl]-pyrid...) Show SMILES Clc1ccc(cc1Cl)-c1c[nH]c(n1)-c1cccnc1 Show InChI InChI=1S/C14H9Cl2N3/c15-11-4-3-9(6-12(11)16)13-8-18-14(19-13)10-2-1-5-17-7-10/h1-8H,(H,18,19)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells				Bioorg Med Chem Lett 13: 3593-6 (2003) BindingDB Entry DOI: 10.7270/Q2DF6QKD
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50133762 (3-[5-(3-Trifluoromethoxy-phenyl)-1H-imidazol-2-yl]...) Show SMILES FC(F)(F)Oc1cccc(c1)-c1c[nH]c(n1)-c1cccnc1 Show InChI InChI=1S/C15H10F3N3O/c16-15(17,18)22-12-5-1-3-10(7-12)13-9-20-14(21-13)11-4-2-6-19-8-11/h1-9H,(H,20,21)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells				Bioorg Med Chem Lett 13: 3593-6 (2003) BindingDB Entry DOI: 10.7270/Q2DF6QKD
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 3 (Homo sapiens (Human))	BDBM50176394 (CHEMBL202361 | octanoic acid (R)-2-octanoyloxy-3-t...) Show SMILES CCCCCCCC(=O)OC[C@H](COP(O)(O)=S)OC(=O)CCCCCCC Show InChI InChI=1S/C19H37O7PS/c1-3-5-7-9-11-13-18(20)24-15-17(16-25-27(22,23)28)26-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H2,22,23,28)/t17-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Activity at LPA3 receptor transfected RH7777 cells				Bioorg Med Chem Lett 16: 633-40 (2005) Article DOI: 10.1016/j.bmcl.2005.10.031 BindingDB Entry DOI: 10.7270/Q2ZC82DB
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50133779 (3-[5-(3-Chloro-phenyl)-1H-imidazol-2-yl]-pyridine ...) Show SMILES Clc1cccc(c1)-c1c[nH]c(n1)-c1cccnc1 Show InChI InChI=1S/C14H10ClN3/c15-12-5-1-3-10(7-12)13-9-17-14(18-13)11-4-2-6-16-8-11/h1-9H,(H,17,18)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells				Bioorg Med Chem Lett 13: 3593-6 (2003) BindingDB Entry DOI: 10.7270/Q2DF6QKD
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50133769 (3-(5-m-Tolyl-1H-imidazol-2-yl)-pyridine | CHEMBL33...) Show SMILES Cc1cccc(c1)-c1c[nH]c(n1)-c1cccnc1 Show InChI InChI=1S/C15H13N3/c1-11-4-2-5-12(8-11)14-10-17-15(18-14)13-6-3-7-16-9-13/h2-10H,1H3,(H,17,18)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells				Bioorg Med Chem Lett 13: 3593-6 (2003) BindingDB Entry DOI: 10.7270/Q2DF6QKD
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50133782 (3-[5-(4-Chloro-phenyl)-1H-imidazol-2-yl]-pyridine ...) Show SMILES Clc1ccc(cc1)-c1c[nH]c(n1)-c1cccnc1 Show InChI InChI=1S/C14H10ClN3/c15-12-5-3-10(4-6-12)13-9-17-14(18-13)11-2-1-7-16-8-11/h1-9H,(H,17,18)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells				Bioorg Med Chem Lett 13: 3593-6 (2003) BindingDB Entry DOI: 10.7270/Q2DF6QKD
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial (Homo sapiens (Human))	BDBM50236511 (CHEMBL3718319) Show SMILES C[C@H]1CCc2cc(ccc2N1C(=O)c1ccc(O)cc1O)C(=O)N(C)Cc1ccc2nccnc2c1 |r| Show InChI InChI=1S/C28H26N4O4/c1-17-3-5-19-14-20(6-10-25(19)32(17)28(36)22-8-7-21(33)15-26(22)34)27(35)31(2)16-18-4-9-23-24(13-18)30-12-11-29-23/h4,6-15,17,33-34H,3,5,16H2,1-2H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd. Curated by ChEMBL					Assay Description Binding affinity towards human Dopamine receptor D2 (long) by [3H]-spiperone displacement.				J Med Chem 60: 2271-2286 (2017) Article DOI: 10.1021/acs.jmedchem.6b01478 BindingDB Entry DOI: 10.7270/Q2XG9TDJ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50577263 (CHEMBL4850236) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)cc(F)c1F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human sigma1 receptor by radioligand binding assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00363 BindingDB Entry DOI: 10.7270/Q22B92V4
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50133773 (3-[5-(3-Chloro-phenyl)-4-methyl-1H-imidazol-2-yl]-...) Show SMILES Cc1[nH]c(nc1-c1cccc(Cl)c1)-c1cccnc1 Show InChI InChI=1S/C15H12ClN3/c1-10-14(11-4-2-6-13(16)8-11)19-15(18-10)12-5-3-7-17-9-12/h2-9H,1H3,(H,18,19)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells				Bioorg Med Chem Lett 13: 3593-6 (2003) BindingDB Entry DOI: 10.7270/Q2DF6QKD
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50133767 (3-[5-(2-Chloro-phenyl)-1H-imidazol-2-yl]-pyridine ...) Show SMILES Clc1ccccc1-c1c[nH]c(n1)-c1cccnc1 Show InChI InChI=1S/C14H10ClN3/c15-12-6-2-1-5-11(12)13-9-17-14(18-13)10-4-3-7-16-8-10/h1-9H,(H,17,18)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells				Bioorg Med Chem Lett 13: 3593-6 (2003) BindingDB Entry DOI: 10.7270/Q2DF6QKD
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial (Homo sapiens (Human))	BDBM50236516 (CHEMBL3731789) Show SMILES CN(Cc1ccc2nccnc2c1)C(=O)c1ccc(cc1)N(Cc1ccccc1)C(=O)c1ccc(O)cc1O Show InChI InChI=1S/C31H26N4O4/c1-34(19-22-7-14-27-28(17-22)33-16-15-32-27)30(38)23-8-10-24(11-9-23)35(20-21-5-3-2-4-6-21)31(39)26-13-12-25(36)18-29(26)37/h2-18,36-37H,19-20H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd. Curated by ChEMBL					Assay Description Inhibition of fluorescein-labelled VER160364 binding to PDHK1 (unknown origin) after 90 mins by fluorescence polarization assay				J Med Chem 60: 2271-2286 (2017) Article DOI: 10.1021/acs.jmedchem.6b01478 BindingDB Entry DOI: 10.7270/Q2XG9TDJ
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50133765 (3-[5-(2-Trifluoromethyl-phenyl)-1H-imidazol-2-yl]-...) Show SMILES FC(F)(F)c1ccccc1-c1c[nH]c(n1)-c1cccnc1 Show InChI InChI=1S/C15H10F3N3/c16-15(17,18)12-6-2-1-5-11(12)13-9-20-14(21-13)10-4-3-7-19-8-10/h1-9H,(H,20,21)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells				Bioorg Med Chem Lett 13: 3593-6 (2003) BindingDB Entry DOI: 10.7270/Q2DF6QKD
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial (Homo sapiens (Human))	BDBM50236530 (CHEMBL3727577) Show SMILES Cc1cnc(Cl)nc1-c1ccc(cc1)N(Cc1ccc(CNC(=O)C(F)F)cc1)C(=O)c1ccc(O)cc1O Show InChI InChI=1S/C28H23ClF2N4O4/c1-16-13-33-28(29)34-24(16)19-6-8-20(9-7-19)35(27(39)22-11-10-21(36)12-23(22)37)15-18-4-2-17(3-5-18)14-32-26(38)25(30)31/h2-13,25,36-37H,14-15H2,1H3,(H,32,38)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd. Curated by ChEMBL					Assay Description Inhibition of fluorescein-labelled VER160364 binding to PDHK1 (unknown origin) after 90 mins by fluorescence polarization assay				J Med Chem 60: 2271-2286 (2017) Article DOI: 10.1021/acs.jmedchem.6b01478 BindingDB Entry DOI: 10.7270/Q2XG9TDJ
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50133783 (2-[5-(3,4-Dichloro-phenyl)-1H-imidazol-2-yl]-pyrid...) Show SMILES Clc1ccc(cc1Cl)-c1c[nH]c(n1)-c1ccccn1 Show InChI InChI=1S/C14H9Cl2N3/c15-10-5-4-9(7-11(10)16)13-8-18-14(19-13)12-3-1-2-6-17-12/h1-8H,(H,18,19)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells				Bioorg Med Chem Lett 13: 3593-6 (2003) BindingDB Entry DOI: 10.7270/Q2DF6QKD
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM265209 (US10413550, Example 41j | US11234987, Example 41j ...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1C)-c1cc(Cl)c(O)cc1O |(3.1,-6.74,;2.33,-5.41,;3.1,-4.07,;2.33,-2.74,;3.1,-1.41,;.79,-2.74,;-.12,-3.99,;-1.58,-3.51,;-1.58,-1.97,;-.12,-1.49,;.28,-.01,;-.81,1.08,;-.41,2.57,;1.08,2.97,;1.48,4.46,;2.96,4.85,;4.05,3.77,;5.54,4.16,;5.94,5.65,;4.85,6.74,;3.36,6.34,;2.17,1.88,;1.77,.39,;2.86,-.7,;-2.67,-.88,;-2.27,.61,;-3.36,1.7,;-2.96,3.18,;-4.85,1.3,;-5.94,2.39,;-5.25,-.19,;-4.16,-1.28,;-4.56,-2.77,)| Show InChI InChI=1S/C24H26ClN3O5/c1-3-26-24(31)22-21(23(33-27-22)17-11-18(25)20(30)12-19(17)29)16-5-4-15(10-14(16)2)13-28-6-8-32-9-7-28/h4-5,10-12,29-30H,3,6-9,13H2,1-2H3,(H,26,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd. Curated by ChEMBL					Assay Description Displacement of fluorescein-labelled VER160364 from HSP90A (unknown origin) after 90 mins by fluorescence polarization assay				J Med Chem 60: 2271-2286 (2017) Article DOI: 10.1021/acs.jmedchem.6b01478 BindingDB Entry DOI: 10.7270/Q2XG9TDJ
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50133778 (2,4(5)-Diphenylimidazole | 2,4-diphenyl-1H-imidazo...) Show SMILES c1[nH]c(nc1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C15H12N2/c1-3-7-12(8-4-1)14-11-16-15(17-14)13-9-5-2-6-10-13/h1-11H,(H,16,17)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells				Bioorg Med Chem Lett 13: 3593-6 (2003) BindingDB Entry DOI: 10.7270/Q2DF6QKD
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50133766 (3-[5-(3,4-Difluoro-phenyl)-1H-imidazol-2-yl]-pyrid...) Show SMILES Fc1ccc(cc1F)-c1c[nH]c(n1)-c1cccnc1 Show InChI InChI=1S/C14H9F2N3/c15-11-4-3-9(6-12(11)16)13-8-18-14(19-13)10-2-1-5-17-7-10/h1-8H,(H,18,19)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells				Bioorg Med Chem Lett 13: 3593-6 (2003) BindingDB Entry DOI: 10.7270/Q2DF6QKD
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial (Homo sapiens (Human))	BDBM50236514 (CHEMBL4100504) Show SMILES C[C@H]1CCc2cc(ccc2N1C(=O)c1ccc(O)cc1O)-c1nc(Cl)ncc1C |r| Show InChI InChI=1S/C22H20ClN3O3/c1-12-11-24-22(23)25-20(12)15-5-8-18-14(9-15)4-3-13(2)26(18)21(29)17-7-6-16(27)10-19(17)28/h5-11,13,27-28H,3-4H2,1-2H3/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd. Curated by ChEMBL					Assay Description Inhibition of fluorescein-labelled VER160364 binding to PDHK1 (unknown origin) after 90 mins by fluorescence polarization assay				J Med Chem 60: 2271-2286 (2017) Article DOI: 10.1021/acs.jmedchem.6b01478 BindingDB Entry DOI: 10.7270/Q2XG9TDJ
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial (Homo sapiens (Human))	BDBM50236519 (CHEMBL3727843) Show SMILES Cc1cnc(Cl)nc1-c1ccc(cc1)N(Cc1ccc(CN2CCCC2)cc1)C(=O)c1ccc(O)cc1O Show InChI InChI=1S/C30H29ClN4O3/c1-20-17-32-30(31)33-28(20)23-8-10-24(11-9-23)35(29(38)26-13-12-25(36)16-27(26)37)19-22-6-4-21(5-7-22)18-34-14-2-3-15-34/h4-13,16-17,36-37H,2-3,14-15,18-19H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd. Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to dopamine transporter (DAT) of cynomolgus monkey caudate-putamen				J Med Chem 60: 2271-2286 (2017) Article DOI: 10.1021/acs.jmedchem.6b01478 BindingDB Entry DOI: 10.7270/Q2XG9TDJ
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50133784 (3-[5-(4-Trifluoromethyl-phenyl)-1H-imidazol-2-yl]-...) Show SMILES FC(F)(F)c1ccc(cc1)-c1c[nH]c(n1)-c1cccnc1 Show InChI InChI=1S/C15H10F3N3/c16-15(17,18)12-5-3-10(4-6-12)13-9-20-14(21-13)11-2-1-7-19-8-11/h1-9H,(H,20,21)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells				Bioorg Med Chem Lett 13: 3593-6 (2003) BindingDB Entry DOI: 10.7270/Q2DF6QKD
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 3 (Homo sapiens (Human))	BDBM50176391 (CHEMBL202185 | octanoic acid (R)-2-octanoyloxy-3-p...) Show SMILES CCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCCC Show InChI InChI=1S/C19H37O8P/c1-3-5-7-9-11-13-18(20)25-15-17(16-26-28(22,23)24)27-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H2,22,23,24)/t17-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Activity at LPA3 receptor transfected RH7777 cells				Bioorg Med Chem Lett 16: 633-40 (2005) Article DOI: 10.1016/j.bmcl.2005.10.031 BindingDB Entry DOI: 10.7270/Q2ZC82DB
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50133776 (2-[5-(3,4-Dichloro-phenyl)-1H-imidazol-2-yl]-pyraz...) Show SMILES Clc1ccc(cc1Cl)-c1c[nH]c(n1)-c1cnccn1 Show InChI InChI=1S/C13H8Cl2N4/c14-9-2-1-8(5-10(9)15)11-7-18-13(19-11)12-6-16-3-4-17-12/h1-7H,(H,18,19)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells				Bioorg Med Chem Lett 13: 3593-6 (2003) BindingDB Entry DOI: 10.7270/Q2DF6QKD
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50133759 (3-(5-o-Tolyl-1H-imidazol-2-yl)-pyridine | CHEMBL33...) Show SMILES Cc1ccccc1-c1c[nH]c(n1)-c1cccnc1 Show InChI InChI=1S/C15H13N3/c1-11-5-2-3-7-13(11)14-10-17-15(18-14)12-6-4-8-16-9-12/h2-10H,1H3,(H,17,18)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells				Bioorg Med Chem Lett 13: 3593-6 (2003) BindingDB Entry DOI: 10.7270/Q2DF6QKD
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 3 (Homo sapiens (Human))	BDBM50176397 (CHEMBL203986 | nonanoic acid (S)-2-nonanoyloxy-3-p...) Show SMILES CCCCCCCCOC[C@@H](COP(O)(O)=O)OCCCCCCCC Show InChI InChI=1S/C19H41O6P/c1-3-5-7-9-11-13-15-23-17-19(18-25-26(20,21)22)24-16-14-12-10-8-6-4-2/h19H,3-18H2,1-2H3,(H2,20,21,22)/t19-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Activity at LPA3 receptor transfected RH7777 cells				Bioorg Med Chem Lett 16: 633-40 (2005) Article DOI: 10.1016/j.bmcl.2005.10.031 BindingDB Entry DOI: 10.7270/Q2ZC82DB
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50133777 (3-[5-(3-Methoxy-phenyl)-1H-imidazol-2-yl]-pyridine...) Show SMILES COc1cccc(c1)-c1c[nH]c(n1)-c1cccnc1 Show InChI InChI=1S/C15H13N3O/c1-19-13-6-2-4-11(8-13)14-10-17-15(18-14)12-5-3-7-16-9-12/h2-10H,1H3,(H,17,18)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells				Bioorg Med Chem Lett 13: 3593-6 (2003) BindingDB Entry DOI: 10.7270/Q2DF6QKD
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial (Homo sapiens (Human))	BDBM50236518 (CHEMBL3732469) Show SMILES Cc1cnc(Cl)nc1-c1ccc(cc1)N(Cc1ccccc1)C(=O)c1ccc(O)cc1O Show InChI InChI=1S/C25H20ClN3O3/c1-16-14-27-25(26)28-23(16)18-7-9-19(10-8-18)29(15-17-5-3-2-4-6-17)24(32)21-12-11-20(30)13-22(21)31/h2-14,30-31H,15H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd. Curated by ChEMBL					Assay Description Inhibition of fluorescein-labelled VER160364 binding to PDHK1 (unknown origin) after 90 mins by fluorescence polarization assay				J Med Chem 60: 2271-2286 (2017) Article DOI: 10.1021/acs.jmedchem.6b01478 BindingDB Entry DOI: 10.7270/Q2XG9TDJ
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50133785 (3-[5-(4-Chloro-phenyl)-4-methyl-1H-imidazol-2-yl]-...) Show SMILES Cc1[nH]c(nc1-c1ccc(Cl)cc1)-c1cccnc1 Show InChI InChI=1S/C15H12ClN3/c1-10-14(11-4-6-13(16)7-5-11)19-15(18-10)12-3-2-8-17-9-12/h2-9H,1H3,(H,18,19)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells				Bioorg Med Chem Lett 13: 3593-6 (2003) BindingDB Entry DOI: 10.7270/Q2DF6QKD
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 3 (Rattus norvegicus)	BDBM50177339 (CHEMBL436763 | potassium ((2R,4R)-2-(heptadec-9-en...) Show SMILES CCCCCCC\C=C\CCCCCCCC[C@@H]1OC[C@H](COP(O)([O-])=O)O1 Show InChI InChI=1S/C21H41O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-18-20(27-21)19-26-28(22,23)24/h8-9,20-21H,2-7,10-19H2,1H3,(H2,22,23,24)/p-1/b9-8+/t20-,21-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Activity at LPA3 receptor in RH7777 rat hepatoma cell line				Bioorg Med Chem Lett 16: 451-6 (2005) Article DOI: 10.1016/j.bmcl.2005.08.096 BindingDB Entry DOI: 10.7270/Q2Z89C01
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial (Homo sapiens (Human))	BDBM50236521 (CHEMBL3715843) Show SMILES C[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(O)cc1O |r| Show InChI InChI=1S/C17H16FNO3/c1-10-2-3-11-8-12(18)4-7-15(11)19(10)17(22)14-6-5-13(20)9-16(14)21/h4-10,20-21H,2-3H2,1H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd. Curated by ChEMBL					Assay Description Binding affinity to PDHK1 (unknown origin) by isothermal titration calorimetry				J Med Chem 60: 2271-2286 (2017) Article DOI: 10.1021/acs.jmedchem.6b01478 BindingDB Entry DOI: 10.7270/Q2XG9TDJ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50439703 (CHEMBL2418930) Show SMILES CC(C)C1CCC(C)CC1OCC(=O)N1CCC(CCCC2CCN(CC2)c2ccc(cc2)C(=O)N2CCCC2C(N)=O)CC1 Show InChI InChI=1S/C37H58N4O4/c1-26(2)32-14-9-27(3)24-34(32)45-25-35(42)40-22-17-29(18-23-40)7-4-6-28-15-20-39(21-16-28)31-12-10-30(11-13-31)37(44)41-19-5-8-33(41)36(38)43/h10-13,26-29,32-34H,4-9,14-25H2,1-3H3,(H2,38,43)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Competitive inhibition of C-terminal FLAG-tagged human recombinant autotaxin using synthetic substrate FS-3 by Michaelis-Menten equation analysis				Bioorg Med Chem 21: 5548-60 (2013) Article DOI: 10.1016/j.bmc.2013.05.061 BindingDB Entry DOI: 10.7270/Q2SF2XKS
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50148348 ((R)-Octadec-9-enoic acid 2-hydroxy-3-phosphonooxy-...) Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(O)=O Show InChI InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9-/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Noncompetitive type inhibition of human autotaxin at free state isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FR...				J Med Chem 53: 1056-66 (2010) Article DOI: 10.1021/jm9012328 BindingDB Entry DOI: 10.7270/Q2BP02VN
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50133760 (1-[5-(3,4-Dichloro-phenyl)-1H-imidazol-2-yl]-isoqu...) Show SMILES Clc1ccc(cc1Cl)-c1c[nH]c(n1)-c1nccc2ccccc12 Show InChI InChI=1S/C18H11Cl2N3/c19-14-6-5-12(9-15(14)20)16-10-22-18(23-16)17-13-4-2-1-3-11(13)7-8-21-17/h1-10H,(H,22,23)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	116	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells				Bioorg Med Chem Lett 13: 3593-6 (2003) BindingDB Entry DOI: 10.7270/Q2DF6QKD
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 3 (Homo sapiens (Human))	BDBM50176392 (CHEMBL379248 | thiophosphoric acid (R)-2-octanoyla...) Show SMILES CCCCCCCCNC(=O)[C@@H](COP(O)(O)=S)NC(=O)CCCCCCC Show InChI InChI=1S/C19H39N2O5PS/c1-3-5-7-9-11-13-15-20-19(23)17(16-26-27(24,25)28)21-18(22)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,20,23)(H,21,22)(H2,24,25,28)/t17-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	118	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Activity at LPA3 receptor transfected RH7777 cells				Bioorg Med Chem Lett 16: 633-40 (2005) Article DOI: 10.1016/j.bmcl.2005.10.031 BindingDB Entry DOI: 10.7270/Q2ZC82DB
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 3 (Homo sapiens (Human))	BDBM50176393 (CHEMBL383095 | octanoic acid (S)-2-octanoyloxy-3-p...) Show SMILES CCCCCCCC(=O)OC[C@@H](COP(O)(O)=O)OC(=O)CCCCCCC Show InChI InChI=1S/C19H37O8P/c1-3-5-7-9-11-13-18(20)25-15-17(16-26-28(22,23)24)27-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H2,22,23,24)/t17-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	119	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Activity at LPA3 receptor transfected RH7777 cells				Bioorg Med Chem Lett 16: 633-40 (2005) Article DOI: 10.1016/j.bmcl.2005.10.031 BindingDB Entry DOI: 10.7270/Q2ZC82DB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50577261 (CHEMBL4849905) Show SMILES C(CC1CCN(Cc2ccccc2)CC1)Nc1cc2CCCCc3ccccc3-c2nn1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]NMS from human acetyl cholinesterase receptor expressed in CHO cell membranes incubated for 3 hrs by radiometric scintillation co...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00363 BindingDB Entry DOI: 10.7270/Q22B92V4
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial (Homo sapiens (Human))	BDBM50236512 (CHEMBL3716663) Show SMILES C[C@H]1CCc2cc(ccc2N1C(=O)c1ccc(O)cc1O)-c1nc2ccccc2cc1C |r| Show InChI InChI=1S/C27H24N2O3/c1-16-13-18-5-3-4-6-23(18)28-26(16)20-9-12-24-19(14-20)8-7-17(2)29(24)27(32)22-11-10-21(30)15-25(22)31/h3-6,9-15,17,30-31H,7-8H2,1-2H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	124	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd. Curated by ChEMBL					Assay Description Inhibition of fluorescein-labelled VER160364 binding to PDHK1 (unknown origin) after 90 mins by fluorescence polarization assay				J Med Chem 60: 2271-2286 (2017) Article DOI: 10.1021/acs.jmedchem.6b01478 BindingDB Entry DOI: 10.7270/Q2XG9TDJ
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial (Homo sapiens (Human))	BDBM265209 (US10413550, Example 41j | US11234987, Example 41j ...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1C)-c1cc(Cl)c(O)cc1O |(3.1,-6.74,;2.33,-5.41,;3.1,-4.07,;2.33,-2.74,;3.1,-1.41,;.79,-2.74,;-.12,-3.99,;-1.58,-3.51,;-1.58,-1.97,;-.12,-1.49,;.28,-.01,;-.81,1.08,;-.41,2.57,;1.08,2.97,;1.48,4.46,;2.96,4.85,;4.05,3.77,;5.54,4.16,;5.94,5.65,;4.85,6.74,;3.36,6.34,;2.17,1.88,;1.77,.39,;2.86,-.7,;-2.67,-.88,;-2.27,.61,;-3.36,1.7,;-2.96,3.18,;-4.85,1.3,;-5.94,2.39,;-5.25,-.19,;-4.16,-1.28,;-4.56,-2.77,)| Show InChI InChI=1S/C24H26ClN3O5/c1-3-26-24(31)22-21(23(33-27-22)17-11-18(25)20(30)12-19(17)29)16-5-4-15(10-14(16)2)13-28-6-8-32-9-7-28/h4-5,10-12,29-30H,3,6-9,13H2,1-2H3,(H,26,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	136	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd. Curated by ChEMBL					Assay Description Binding affinity to PDHK1 (unknown origin) by isothermal titration calorimetry				J Med Chem 60: 2271-2286 (2017) Article DOI: 10.1021/acs.jmedchem.6b01478 BindingDB Entry DOI: 10.7270/Q2XG9TDJ
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 1 (Homo sapiens (Human))	BDBM50176398 ((S)-O-2,3-bis(octyloxy)propyl O,O-dihydrogen phosp...) Show SMILES CCCCCCCCOC[C@@H](COP(O)(O)=S)OCCCCCCCC Show InChI InChI=1S/C19H41O5PS/c1-3-5-7-9-11-13-15-22-17-19(18-24-25(20,21)26)23-16-14-12-10-8-6-4-2/h19H,3-18H2,1-2H3,(H2,20,21,26)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	139	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Activity at LPA1 receptor transfected RH7777 cells				Bioorg Med Chem Lett 16: 633-40 (2005) Article DOI: 10.1016/j.bmcl.2005.10.031 BindingDB Entry DOI: 10.7270/Q2ZC82DB
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50133764 (3-[5-(3,4-Dimethoxy-phenyl)-1H-imidazol-2-yl]-pyri...) Show SMILES COc1ccc(cc1OC)-c1c[nH]c(n1)-c1cccnc1 Show InChI InChI=1S/C16H15N3O2/c1-20-14-6-5-11(8-15(14)21-2)13-10-18-16(19-13)12-4-3-7-17-9-12/h3-10H,1-2H3,(H,18,19)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	148	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells				Bioorg Med Chem Lett 13: 3593-6 (2003) BindingDB Entry DOI: 10.7270/Q2DF6QKD
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM50236526 (CHEMBL4089806) Show SMILES CN(C)C(=O)c1ccc(cc1)N(C)C(=O)c1ccc(O)cc1O Show InChI InChI=1S/C17H18N2O4/c1-18(2)16(22)11-4-6-12(7-5-11)19(3)17(23)14-9-8-13(20)10-15(14)21/h4-10,20-21H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd. Curated by ChEMBL					Assay Description Inhibition of fluorescein-labelled VER160364 binding to PDHK2 (unknown origin) after 90 mins by fluorescence polarization assay				J Med Chem 60: 2271-2286 (2017) Article DOI: 10.1021/acs.jmedchem.6b01478 BindingDB Entry DOI: 10.7270/Q2XG9TDJ
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 3 (Rattus norvegicus)	BDBM50177329 (CHEMBL199380 | potassium (2-(6-(4-octylphenyl)hexy...) Show SMILES CCCCCCCCc1ccc(CCCCCCC2OCC(COP(O)([O-])=O)O2)cc1 Show InChI InChI=1S/C24H41O6P/c1-2-3-4-5-6-9-12-21-15-17-22(18-16-21)13-10-7-8-11-14-24-28-19-23(30-24)20-29-31(25,26)27/h15-18,23-24H,2-14,19-20H2,1H3,(H2,25,26,27)/p-1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	171	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Activity at LPA3 receptor in RH7777 rat hepatoma cell line				Bioorg Med Chem Lett 16: 451-6 (2005) Article DOI: 10.1016/j.bmcl.2005.08.096 BindingDB Entry DOI: 10.7270/Q2Z89C01
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50236525 (CHEMBL4097485) Show SMILES CN(C(=O)c1ccc(O)cc1O)c1ccc(cc1)C(=O)N1CC(Oc2ccccc12)C(O)=O Show InChI InChI=1S/C24H20N2O7/c1-25(23(30)17-11-10-16(27)12-19(17)28)15-8-6-14(7-9-15)22(29)26-13-21(24(31)32)33-20-5-3-2-4-18(20)26/h2-12,21,27-28H,13H2,1H3,(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	184	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd. Curated by ChEMBL					Assay Description Displacement of fluorescein-labelled VER160364 from HSP90A (unknown origin) after 90 mins by fluorescence polarization assay				J Med Chem 60: 2271-2286 (2017) Article DOI: 10.1021/acs.jmedchem.6b01478 BindingDB Entry DOI: 10.7270/Q2XG9TDJ
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 3 (Homo sapiens (Human))	BDBM50176396 (CHEMBL204037 | Serine amide phospate derivative | ...) Show SMILES CCCCCCCCNC(=O)[C@H](COP(O)(O)=O)NC(=O)CCCCCCC Show InChI InChI=1S/C19H39N2O6P/c1-3-5-7-9-11-13-15-20-19(23)17(16-27-28(24,25)26)21-18(22)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,20,23)(H,21,22)(H2,24,25,26)/t17-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	196	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Activity at LPA3 receptor transfected RH7777 cells				Bioorg Med Chem Lett 16: 633-40 (2005) Article DOI: 10.1016/j.bmcl.2005.10.031 BindingDB Entry DOI: 10.7270/Q2ZC82DB
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial (Homo sapiens (Human))	BDBM50236523 (CHEMBL3714988) Show SMILES CC1CCc2cc(F)ccc2N1C(=O)c1ccc(O)cc1O Show InChI InChI=1S/C17H16FNO3/c1-10-2-3-11-8-12(18)4-7-15(11)19(10)17(22)14-6-5-13(20)9-16(14)21/h4-10,20-21H,2-3H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd. Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to dopamine transporter (DAT) of cynomolgus monkey caudate-putamen				J Med Chem 60: 2271-2286 (2017) Article DOI: 10.1021/acs.jmedchem.6b01478 BindingDB Entry DOI: 10.7270/Q2XG9TDJ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50300224 (4-amino-4-(hydroxymethyl)-6-(4-octylphenyl)hexylph...) Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)CCCP(O)(O)=O)cc1 Show InChI InChI=1S/C21H38NO4P/c1-2-3-4-5-6-7-9-19-10-12-20(13-11-19)14-16-21(22,18-23)15-8-17-27(24,25)26/h10-13,23H,2-9,14-18,22H2,1H3,(H2,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Noncompetitive type inhibition of human autotaxin at free state isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FR...				J Med Chem 53: 1056-66 (2010) Article DOI: 10.1021/jm9012328 BindingDB Entry DOI: 10.7270/Q2BP02VN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50439704 (CHEMBL2418934) Show SMILES CC(O)C(NC(=O)c1ccc(nc1)N1CCC(CCCC2CCN(CC2)C(=O)Cc2ccc(cc2)-c2ccccc2)CC1)C(N)=O Show InChI InChI=1S/C37H47N5O4/c1-26(43)35(36(38)45)40-37(46)32-14-15-33(39-25-32)41-20-16-27(17-21-41)6-5-7-28-18-22-42(23-19-28)34(44)24-29-10-12-31(13-11-29)30-8-3-2-4-9-30/h2-4,8-15,25-28,35,43H,5-7,16-24H2,1H3,(H2,38,45)(H,40,46)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Competitive inhibition of C-terminal FLAG-tagged human recombinant autotaxin using synthetic substrate FS-3 by Michaelis-Menten equation analysis				Bioorg Med Chem 21: 5548-60 (2013) Article DOI: 10.1016/j.bmc.2013.05.061 BindingDB Entry DOI: 10.7270/Q2SF2XKS
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50133781 (3-[5-(4-Trifluoromethoxy-phenyl)-1H-imidazol-2-yl]...) Show SMILES FC(F)(F)Oc1ccc(cc1)-c1c[nH]c(n1)-c1cccnc1 Show InChI InChI=1S/C15H10F3N3O/c16-15(17,18)22-12-5-3-10(4-6-12)13-9-20-14(21-13)11-2-1-7-19-8-11/h1-9H,(H,20,21)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells				Bioorg Med Chem Lett 13: 3593-6 (2003) BindingDB Entry DOI: 10.7270/Q2DF6QKD
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 1 (Homo sapiens (Human))	BDBM50176393 (CHEMBL383095 | octanoic acid (S)-2-octanoyloxy-3-p...) Show SMILES CCCCCCCC(=O)OC[C@@H](COP(O)(O)=O)OC(=O)CCCCCCC Show InChI InChI=1S/C19H37O8P/c1-3-5-7-9-11-13-18(20)25-15-17(16-26-28(22,23)24)27-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H2,22,23,24)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	221	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Activity at LPA1 receptor transfected RH7777 cells				Bioorg Med Chem Lett 16: 633-40 (2005) Article DOI: 10.1016/j.bmcl.2005.10.031 BindingDB Entry DOI: 10.7270/Q2ZC82DB
					More data for this Ligand-Target Pair

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