Compile Data Set for Download or QSAR

Found 500 hits with Last Name = 'zhang' and Initial = 'yq'   

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
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50538098 (CHEMBL4640031) Show SMILES C[C@H]1CN(C[C@@H](C)O1)C(=O)Nc1cc(ccn1)-c1cn([C@H]2CC[C@@](C)(O)CC2)c2cnccc12 |r,wU:23.25,5.5,1.0,wD:20.21,(67.8,-7.39,;66.77,-6.25,;65.27,-6.57,;64.23,-5.42,;64.7,-3.97,;66.21,-3.64,;66.68,-2.18,;67.24,-4.79,;62.73,-5.75,;62.26,-7.22,;61.69,-4.61,;60.19,-4.94,;59.72,-6.41,;58.21,-6.74,;57.18,-5.6,;57.64,-4.14,;59.15,-3.8,;57.75,-8.2,;58.66,-9.44,;57.76,-10.69,;58.24,-12.15,;57.22,-13.3,;57.69,-14.75,;59.2,-15.07,;58.8,-16.55,;60.28,-16.15,;60.23,-13.92,;59.75,-12.45,;56.29,-10.22,;54.95,-11,;53.61,-10.23,;53.62,-8.69,;54.95,-7.92,;56.28,-8.68,)| Show InChI InChI=1S/C26H33N5O3/c1-17-14-30(15-18(2)34-17)25(32)29-24-12-19(6-11-28-24)22-16-31(23-13-27-10-7-21(22)23)20-4-8-26(3,33)9-5-20/h6-7,10-13,16-18,20,33H,4-5,8-9,14-15H2,1-3H3,(H,28,29,32)/t17-,18+,20-,26+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged DYRK1A (1 to 763 residues) expressed in Sf21 cells using Ulight-glycogen synthase as substrate ...				J Med Chem 63: 2958-2973 (2020) Article DOI: 10.1021/acs.jmedchem.9b01624 BindingDB Entry DOI: 10.7270/Q2WQ079V
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50538084 (CHEMBL4647659) Show SMILES CC(C)Oc1ccc(F)c(c1)-c1cnc(N)c(n1)C(=O)Nc1cnccc1N1CCC[C@H](C1)C(O)=O |r| Show InChI InChI=1S/C25H27FN6O4/c1-14(2)36-16-5-6-18(26)17(10-16)19-12-29-23(27)22(30-19)24(33)31-20-11-28-8-7-21(20)32-9-3-4-15(13-32)25(34)35/h5-8,10-12,14-15H,3-4,9,13H2,1-2H3,(H2,27,29)(H,31,33)(H,34,35)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of recombinant human DYRK1A (129 to 509 residues) expressed in mammalian expression system by Kinomescan method				J Med Chem 63: 2958-2973 (2020) Article DOI: 10.1021/acs.jmedchem.9b01624 BindingDB Entry DOI: 10.7270/Q2WQ079V
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50538099 (CHEMBL4636064) Show SMILES CCN1CCN(CC1)C(=O)Nc1cc(ccn1)-c1cn(C2CCOCC2)c2cnccc12 Show InChI InChI=1S/C24H30N6O2/c1-2-28-9-11-29(12-10-28)24(31)27-23-15-18(3-8-26-23)21-17-30(19-5-13-32-14-6-19)22-16-25-7-4-20(21)22/h3-4,7-8,15-17,19H,2,5-6,9-14H2,1H3,(H,26,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged DYRK1A (1 to 763 residues) expressed in Sf21 cells using Ulight-glycogen synthase as substrate ...				J Med Chem 63: 2958-2973 (2020) Article DOI: 10.1021/acs.jmedchem.9b01624 BindingDB Entry DOI: 10.7270/Q2WQ079V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50538095 (CHEMBL4649473) Show SMILES CC1(C)CN(C1)C(=O)Nc1cc(ccn1)-c1cn(C2CCOCC2)c2cnccc12 Show InChI InChI=1S/C23H27N5O2/c1-23(2)14-27(15-23)22(29)26-21-11-16(3-8-25-21)19-13-28(17-5-9-30-10-6-17)20-12-24-7-4-18(19)20/h3-4,7-8,11-13,17H,5-6,9-10,14-15H2,1-2H3,(H,25,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged DYRK1A (1 to 763 residues) expressed in Sf21 cells using Ulight-glycogen synthase as substrate ...				J Med Chem 63: 2958-2973 (2020) Article DOI: 10.1021/acs.jmedchem.9b01624 BindingDB Entry DOI: 10.7270/Q2WQ079V
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50538090 (CHEMBL4648742) Show SMILES c1c(-c2ccncc2)c2ccncc2n1-c1ccccc1 Show InChI InChI=1S/C18H13N3/c1-2-4-15(5-3-1)21-13-17(14-6-9-19-10-7-14)16-8-11-20-12-18(16)21/h1-13H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged DYRK1A (1 to 763 residues) expressed in Sf21 cells using Ulight-glycogen synthase as substrate ...				J Med Chem 63: 2958-2973 (2020) Article DOI: 10.1021/acs.jmedchem.9b01624 BindingDB Entry DOI: 10.7270/Q2WQ079V
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50538093 (CHEMBL4645474) Show SMILES O=C(NC1CC1)Nc1cc(ccn1)-c1cn(-c2ccccc2)c2cnccc12 Show InChI InChI=1S/C22H19N5O/c28-22(25-16-6-7-16)26-21-12-15(8-11-24-21)19-14-27(17-4-2-1-3-5-17)20-13-23-10-9-18(19)20/h1-5,8-14,16H,6-7H2,(H2,24,25,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged DYRK1A (1 to 763 residues) expressed in Sf21 cells using Ulight-glycogen synthase as substrate ...				J Med Chem 63: 2958-2973 (2020) Article DOI: 10.1021/acs.jmedchem.9b01624 BindingDB Entry DOI: 10.7270/Q2WQ079V
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50064769 (CHEMBL3401255) Show SMILES Cc1ccc2OCCn3c(nc4cc(ccc34)[N+]([O-])=O)-c2c1 Show InChI InChI=1S/C16H13N3O3/c1-10-2-5-15-12(8-10)16-17-13-9-11(19(20)21)3-4-14(13)18(16)6-7-22-15/h2-5,8-9H,6-7H2,1H3	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	16	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant PI3Kalpha (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...				Bioorg Med Chem 23: 1231-40 (2015) Article DOI: 10.1016/j.bmc.2015.01.052 BindingDB Entry DOI: 10.7270/Q2BC417K
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50538084 (CHEMBL4647659) Show SMILES CC(C)Oc1ccc(F)c(c1)-c1cnc(N)c(n1)C(=O)Nc1cnccc1N1CCC[C@H](C1)C(O)=O |r| Show InChI InChI=1S/C25H27FN6O4/c1-14(2)36-16-5-6-18(26)17(10-16)19-12-29-23(27)22(30-19)24(33)31-20-11-28-8-7-21(20)32-9-3-4-15(13-32)25(34)35/h5-8,10-12,14-15H,3-4,9,13H2,1-2H3,(H2,27,29)(H,31,33)(H,34,35)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of recombinant human GSK3beta (1 to 433 residues) expressed in mammalian expression system by Kinomescan method				J Med Chem 63: 2958-2973 (2020) Article DOI: 10.1021/acs.jmedchem.9b01624 BindingDB Entry DOI: 10.7270/Q2WQ079V
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50538094 (CHEMBL4641631) Show SMILES O=C(NC1CC1)Nc1cc(ccn1)-c1cn(C2CCOCC2)c2cnccc12 Show InChI InChI=1S/C21H23N5O2/c27-21(24-15-1-2-15)25-20-11-14(3-8-23-20)18-13-26(16-5-9-28-10-6-16)19-12-22-7-4-17(18)19/h3-4,7-8,11-13,15-16H,1-2,5-6,9-10H2,(H2,23,24,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged DYRK1A (1 to 763 residues) expressed in Sf21 cells using Ulight-glycogen synthase as substrate ...				J Med Chem 63: 2958-2973 (2020) Article DOI: 10.1021/acs.jmedchem.9b01624 BindingDB Entry DOI: 10.7270/Q2WQ079V
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50538091 (CHEMBL4640465) Show SMILES Nc1cc(ccn1)-c1cn(-c2ccccc2)c2cnccc12 Show InChI InChI=1S/C18H14N4/c19-18-10-13(6-9-21-18)16-12-22(14-4-2-1-3-5-14)17-11-20-8-7-15(16)17/h1-12H,(H2,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged DYRK1A (1 to 763 residues) expressed in Sf21 cells using Ulight-glycogen synthase as substrate ...				J Med Chem 63: 2958-2973 (2020) Article DOI: 10.1021/acs.jmedchem.9b01624 BindingDB Entry DOI: 10.7270/Q2WQ079V
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50538096 (CHEMBL4641672) Show SMILES O=C(Nc1cc(ccn1)-c1cn(C2CCOCC2)c2cnccc12)N1CCOCC1 Show InChI InChI=1S/C22H25N5O3/c28-22(26-7-11-30-12-8-26)25-21-13-16(1-6-24-21)19-15-27(17-3-9-29-10-4-17)20-14-23-5-2-18(19)20/h1-2,5-6,13-15,17H,3-4,7-12H2,(H,24,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged DYRK1A (1 to 763 residues) expressed in Sf21 cells using Ulight-glycogen synthase as substrate ...				J Med Chem 63: 2958-2973 (2020) Article DOI: 10.1021/acs.jmedchem.9b01624 BindingDB Entry DOI: 10.7270/Q2WQ079V
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50064788 (CHEMBL3401249) Show SMILES Clc1ccc2n3CCOc4ccc(Br)cc4-c3nc2c1 Show InChI InChI=1S/C15H10BrClN2O/c16-9-1-4-14-11(7-9)15-18-12-8-10(17)2-3-13(12)19(15)5-6-20-14/h1-4,7-8H,5-6H2	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	31	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant PI3Kalpha (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...				Bioorg Med Chem 23: 1231-40 (2015) Article DOI: 10.1016/j.bmc.2015.01.052 BindingDB Entry DOI: 10.7270/Q2BC417K
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photuris pennsylvanica)	BDBM50238226 (2-(5-biphenyl-4-yl-[1,2,4]oxadiazol-3-yl)-pyridine...) Show SMILES c1ccc(cc1)-c1ccc(cc1)-c1nc(no1)-c1ccccn1 Show InChI InChI=1S/C19H13N3O/c1-2-6-14(7-3-1)15-9-11-16(12-10-15)19-21-18(22-23-19)17-8-4-5-13-20-17/h1-13H	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by noncompetitive inhibition assay				J Med Chem 52: 1450-8 (2010) Article DOI: 10.1021/jm8014525 BindingDB Entry DOI: 10.7270/Q2XD11PW
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photuris pennsylvanica)	BDBM50293100 (3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl biphenyl-4-c...) Show SMILES O=C(Oc1nc(no1)-c1ccccn1)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C20H13N3O3/c24-19(16-11-9-15(10-12-16)14-6-2-1-3-7-14)25-20-22-18(23-26-20)17-8-4-5-13-21-17/h1-13H	UniProtKB/SwissProt 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
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by noncompetitive inhibition assay				J Med Chem 52: 1450-8 (2010) Article DOI: 10.1021/jm8014525 BindingDB Entry DOI: 10.7270/Q2XD11PW
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50538083 (CHEMBL4638292) Show SMILES Nc1ncc(nc1C(=O)Nc1cnccc1N1CCC(CC1)C(O)=O)-c1ccccc1 Show InChI InChI=1S/C22H22N6O3/c23-20-19(26-16(13-25-20)14-4-2-1-3-5-14)21(29)27-17-12-24-9-6-18(17)28-10-7-15(8-11-28)22(30)31/h1-6,9,12-13,15H,7-8,10-11H2,(H2,23,25)(H,27,29)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of recombinant human GSK3beta (1 to 433 residues) expressed in mammalian expression system by Kinomescan method				J Med Chem 63: 2958-2973 (2020) Article DOI: 10.1021/acs.jmedchem.9b01624 BindingDB Entry DOI: 10.7270/Q2WQ079V
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50538085 (CHEMBL4634969) Show SMILES CC(C)Cn1cc(-c2ccncc2)c2ccncc12 Show InChI InChI=1S/C16H17N3/c1-12(2)10-19-11-15(13-3-6-17-7-4-13)14-5-8-18-9-16(14)19/h3-9,11-12H,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged DYRK1A (1 to 763 residues) expressed in Sf21 cells using Ulight-glycogen synthase as substrate ...				J Med Chem 63: 2958-2973 (2020) Article DOI: 10.1021/acs.jmedchem.9b01624 BindingDB Entry DOI: 10.7270/Q2WQ079V
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50538097 (CHEMBL4641839) Show SMILES C[C@H]1CN(C[C@@H](C)O1)C(=O)Nc1cc(ccn1)-c1cn(C2CCOCC2)c2cnccc12 |r| Show InChI InChI=1S/C24H29N5O3/c1-16-13-28(14-17(2)32-16)24(30)27-23-11-18(3-8-26-23)21-15-29(19-5-9-31-10-6-19)22-12-25-7-4-20(21)22/h3-4,7-8,11-12,15-17,19H,5-6,9-10,13-14H2,1-2H3,(H,26,27,30)/t16-,17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged DYRK1A (1 to 763 residues) expressed in Sf21 cells using Ulight-glycogen synthase as substrate ...				J Med Chem 63: 2958-2973 (2020) Article DOI: 10.1021/acs.jmedchem.9b01624 BindingDB Entry DOI: 10.7270/Q2WQ079V
					More data for this Ligand-Target Pair
Galactokinase (Homo sapiens (Human))	BDBM50588172 (CHEMBL5073602) Show SMILES CCn1cc(CNC(=O)C2=C(C)NC(Nc3nc4ccc(F)c(N)c4o3)=NC2c2ccc(C)cc2Cl)cn1 |c:9,27| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00945 BindingDB Entry DOI: 10.7270/Q2Z323MD
					More data for this Ligand-Target Pair
Galactokinase (Homo sapiens (Human))	BDBM50588170 (CHEMBL5088290) Show SMILES CC1=C(C(N=C(Nc2nc3ccc(F)c(N)c3o2)N1)c1ccc(C)cc1Cl)C(=O)NCc1cnn(C)c1 |t:1,4| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00945 BindingDB Entry DOI: 10.7270/Q2Z323MD
					More data for this Ligand-Target Pair
Galactokinase (Homo sapiens (Human))	BDBM50588172 (CHEMBL5073602) Show SMILES CCn1cc(CNC(=O)C2=C(C)NC(Nc3nc4ccc(F)c(N)c4o3)=NC2c2ccc(C)cc2Cl)cn1 |c:9,27| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00945 BindingDB Entry DOI: 10.7270/Q2Z323MD
					More data for this Ligand-Target Pair
Galactokinase (Homo sapiens (Human))	BDBM50588170 (CHEMBL5088290) Show SMILES CC1=C(C(N=C(Nc2nc3ccc(F)c(N)c3o2)N1)c1ccc(C)cc1Cl)C(=O)NCc1cnn(C)c1 |t:1,4| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00945 BindingDB Entry DOI: 10.7270/Q2Z323MD
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photuris pennsylvanica)	BDBM50293101 (5-(2,4-dimethoxyphenyl)-3-phenyl-1,2,4-oxadiazole ...) Show SMILES COc1ccc(-c2nc(no2)-c2ccccc2)c(OC)c1 Show InChI InChI=1S/C16H14N2O3/c1-19-12-8-9-13(14(10-12)20-2)16-17-15(18-21-16)11-6-4-3-5-7-11/h3-10H,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by noncompetitive inhibition assay				J Med Chem 52: 1450-8 (2010) Article DOI: 10.1021/jm8014525 BindingDB Entry DOI: 10.7270/Q2XD11PW
					More data for this Ligand-Target Pair
Galactokinase (Homo sapiens (Human))	BDBM50588173 (CHEMBL5087686) Show SMILES CCn1cc(CNC(=O)C2=C(C)NC(Nc3nc4ccc(F)c(N)c4o3)=N[C@H]2c2ccc(C)cc2Cl)cn1 |r,c:9,27| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00945 BindingDB Entry DOI: 10.7270/Q2Z323MD
					More data for this Ligand-Target Pair
Galactokinase (Homo sapiens (Human))	BDBM50588173 (CHEMBL5087686) Show SMILES CCn1cc(CNC(=O)C2=C(C)NC(Nc3nc4ccc(F)c(N)c4o3)=N[C@H]2c2ccc(C)cc2Cl)cn1 |r,c:9,27| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00945 BindingDB Entry DOI: 10.7270/Q2Z323MD
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50375654 (CHEMBL99203 | US11633415, Compound 5-iodotubercidi...) Show SMILES Nc1ncnc2n(cc(I)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H13IN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of DYRK1A (unknown origin)				J Med Chem 63: 2958-2973 (2020) Article DOI: 10.1021/acs.jmedchem.9b01624 BindingDB Entry DOI: 10.7270/Q2WQ079V
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50238226 (2-(5-biphenyl-4-yl-[1,2,4]oxadiazol-3-yl)-pyridine...) Show SMILES c1ccc(cc1)-c1ccc(cc1)-c1nc(no1)-c1ccccn1 Show InChI InChI=1S/C19H13N3O/c1-2-6-14(7-3-1)15-9-11-16(12-10-15)19-21-18(22-23-19)17-8-4-5-13-20-17/h1-13H	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of luciferin binding site of Photinus pyralis luciferase by noncompetitive inhibition assay				J Med Chem 52: 1450-8 (2010) Article DOI: 10.1021/jm8014525 BindingDB Entry DOI: 10.7270/Q2XD11PW
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photuris pennsylvanica)	BDBM50293102 (5-(2-methoxyphenyl)-3-(pyridin-2-yl)-1,2,4-oxadiaz...) Show SMILES COc1ccccc1-c1nc(no1)-c1ccccn1 Show InChI InChI=1S/C14H11N3O2/c1-18-12-8-3-2-6-10(12)14-16-13(17-19-14)11-7-4-5-9-15-11/h2-9H,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by noncompetitive inhibition assay				J Med Chem 52: 1450-8 (2010) Article DOI: 10.1021/jm8014525 BindingDB Entry DOI: 10.7270/Q2XD11PW
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50064771 (CHEMBL3401253) Show SMILES Brc1ccc2OCCn3c(nc4cc(Br)ccc34)-c2c1 Show InChI InChI=1S/C15H10Br2N2O/c16-9-2-4-14-11(7-9)15-18-12-8-10(17)1-3-13(12)19(15)5-6-20-14/h1-4,7-8H,5-6H2	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	92	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant PI3Kalpha (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...				Bioorg Med Chem 23: 1231-40 (2015) Article DOI: 10.1016/j.bmc.2015.01.052 BindingDB Entry DOI: 10.7270/Q2BC417K
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50538083 (CHEMBL4638292) Show SMILES Nc1ncc(nc1C(=O)Nc1cnccc1N1CCC(CC1)C(O)=O)-c1ccccc1 Show InChI InChI=1S/C22H22N6O3/c23-20-19(26-16(13-25-20)14-4-2-1-3-5-14)21(29)27-17-12-24-9-6-18(17)28-10-7-15(8-11-28)22(30)31/h1-6,9,12-13,15H,7-8,10-11H2,(H2,23,25)(H,27,29)(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of recombinant human DYRK1A (129 to 509 residues) expressed in mammalian expression system by Kinomescan method				J Med Chem 63: 2958-2973 (2020) Article DOI: 10.1021/acs.jmedchem.9b01624 BindingDB Entry DOI: 10.7270/Q2WQ079V
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50538089 (CHEMBL4638460) Show SMILES C(c1ccccc1)n1cc(-c2ccncc2)c2ccncc12 Show InChI InChI=1S/C19H15N3/c1-2-4-15(5-3-1)13-22-14-18(16-6-9-20-10-7-16)17-8-11-21-12-19(17)22/h1-12,14H,13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	106	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged DYRK1A (1 to 763 residues) expressed in Sf21 cells using Ulight-glycogen synthase as substrate ...				J Med Chem 63: 2958-2973 (2020) Article DOI: 10.1021/acs.jmedchem.9b01624 BindingDB Entry DOI: 10.7270/Q2WQ079V
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50538086 (CHEMBL4648945) Show SMILES C(C1CC1)n1cc(-c2ccncc2)c2ccncc12 Show InChI InChI=1S/C16H15N3/c1-2-12(1)10-19-11-15(13-3-6-17-7-4-13)14-5-8-18-9-16(14)19/h3-9,11-12H,1-2,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged DYRK1A (1 to 763 residues) expressed in Sf21 cells using Ulight-glycogen synthase as substrate ...				J Med Chem 63: 2958-2973 (2020) Article DOI: 10.1021/acs.jmedchem.9b01624 BindingDB Entry DOI: 10.7270/Q2WQ079V
					More data for this Ligand-Target Pair
Galactokinase (Homo sapiens (Human))	BDBM50588167 (CHEMBL5089409) Show SMILES CC1=C(C(N=C(Nc2nc3ccc(F)cc3o2)N1)c1ccc(cc1Cl)-c1cnc(C)nc1)C(=O)Nc1cc(ccn1)C(O)=O |t:1,4| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00945 BindingDB Entry DOI: 10.7270/Q2Z323MD
					More data for this Ligand-Target Pair
Galactokinase (Homo sapiens (Human))	BDBM50588167 (CHEMBL5089409) Show SMILES CC1=C(C(N=C(Nc2nc3ccc(F)cc3o2)N1)c1ccc(cc1Cl)-c1cnc(C)nc1)C(=O)Nc1cc(ccn1)C(O)=O |t:1,4| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00945 BindingDB Entry DOI: 10.7270/Q2Z323MD
					More data for this Ligand-Target Pair
Galactokinase (Homo sapiens (Human))	BDBM50588163 (CHEMBL5072646) Show SMILES CC1=C(C(N=C(Nc2nc3ccc(F)cc3o2)N1)c1ccc(cc1Cl)-n1ccnc1)C(=O)Nc1cc(ccn1)C(O)=O |t:1,4| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	117	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00945 BindingDB Entry DOI: 10.7270/Q2Z323MD
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50064860 (CHEMBL3403813) Show SMILES Cc1ccc2OCCn3c(nc4cc(C)ccc34)-c2c1 Show InChI InChI=1S/C17H16N2O/c1-11-4-6-16-13(9-11)17-18-14-10-12(2)3-5-15(14)19(17)7-8-20-16/h3-6,9-10H,7-8H2,1-2H3	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	118	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant PI3Kalpha (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...				Bioorg Med Chem 23: 1231-40 (2015) Article DOI: 10.1016/j.bmc.2015.01.052 BindingDB Entry DOI: 10.7270/Q2BC417K
					More data for this Ligand-Target Pair
Galactokinase (Homo sapiens (Human))	BDBM50588168 (CHEMBL5075869) Show SMILES CC1=C([C@@H](N=C(Nc2nc3cccc(N)c3o2)N1)c1ccc(C)cc1Cl)C(=O)NCc1cnn(C)c1 |r,t:1,4| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00945 BindingDB Entry DOI: 10.7270/Q2Z323MD
					More data for this Ligand-Target Pair
Galactokinase (Homo sapiens (Human))	BDBM50588163 (CHEMBL5072646) Show SMILES CC1=C(C(N=C(Nc2nc3ccc(F)cc3o2)N1)c1ccc(cc1Cl)-n1ccnc1)C(=O)Nc1cc(ccn1)C(O)=O |t:1,4| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00945 BindingDB Entry DOI: 10.7270/Q2Z323MD
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50064855 (CHEMBL3401248) Show SMILES Clc1ccc2OCCn3c(nc4cc(Cl)ccc34)-c2c1 Show InChI InChI=1S/C15H10Cl2N2O/c16-9-2-4-14-11(7-9)15-18-12-8-10(17)1-3-13(12)19(15)5-6-20-14/h1-4,7-8H,5-6H2	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	127	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant PI3Kalpha (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...				Bioorg Med Chem 23: 1231-40 (2015) Article DOI: 10.1016/j.bmc.2015.01.052 BindingDB Entry DOI: 10.7270/Q2BC417K
					More data for this Ligand-Target Pair
Galactokinase (Homo sapiens (Human))	BDBM50588168 (CHEMBL5075869) Show SMILES CC1=C([C@@H](N=C(Nc2nc3cccc(N)c3o2)N1)c1ccc(C)cc1Cl)C(=O)NCc1cnn(C)c1 |r,t:1,4| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00945 BindingDB Entry DOI: 10.7270/Q2Z323MD
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50538092 (CHEMBL4648047) Show SMILES O=C(Nc1cc(ccn1)-c1cn(-c2ccccc2)c2cnccc12)C1CC1 Show InChI InChI=1S/C22H18N4O/c27-22(15-6-7-15)25-21-12-16(8-11-24-21)19-14-26(17-4-2-1-3-5-17)20-13-23-10-9-18(19)20/h1-5,8-15H,6-7H2,(H,24,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG expressed in CHO cells incubated for 90 mins by microbeta scintillation counting method				J Med Chem 63: 2958-2973 (2020) Article DOI: 10.1021/acs.jmedchem.9b01624 BindingDB Entry DOI: 10.7270/Q2WQ079V
					More data for this Ligand-Target Pair
Galactokinase (Homo sapiens (Human))	BDBM50588171 (CHEMBL5077147) Show SMILES CCn1cc(CNC(=O)C2=C(C)NC(Nc3nc4cccc(N)c4o3)=NC2c2ccc(C)cc2Cl)cn1 |c:9,26| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00945 BindingDB Entry DOI: 10.7270/Q2Z323MD
					More data for this Ligand-Target Pair
Galactokinase (Homo sapiens (Human))	BDBM50588171 (CHEMBL5077147) Show SMILES CCn1cc(CNC(=O)C2=C(C)NC(Nc3nc4cccc(N)c4o3)=NC2c2ccc(C)cc2Cl)cn1 |c:9,26| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	174	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00945 BindingDB Entry DOI: 10.7270/Q2Z323MD
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50064856 (CHEMBL3401245) Show SMILES Fc1ccc2n3CCOc4ccc(Br)cc4-c3nc2c1 Show InChI InChI=1S/C15H10BrFN2O/c16-9-1-4-14-11(7-9)15-18-12-8-10(17)2-3-13(12)19(15)5-6-20-14/h1-4,7-8H,5-6H2	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	181	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant PI3Kalpha (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...				Bioorg Med Chem 23: 1231-40 (2015) Article DOI: 10.1016/j.bmc.2015.01.052 BindingDB Entry DOI: 10.7270/Q2BC417K
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50064769 (CHEMBL3401255) Show SMILES Cc1ccc2OCCn3c(nc4cc(ccc34)[N+]([O-])=O)-c2c1 Show InChI InChI=1S/C16H13N3O3/c1-10-2-5-15-12(8-10)16-17-13-9-11(19(20)21)3-4-14(13)18(16)6-7-22-15/h2-5,8-9H,6-7H2,1H3	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	184	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant PI3Kbeta (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kina...				Bioorg Med Chem 23: 1231-40 (2015) Article DOI: 10.1016/j.bmc.2015.01.052 BindingDB Entry DOI: 10.7270/Q2BC417K
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50064788 (CHEMBL3401249) Show SMILES Clc1ccc2n3CCOc4ccc(Br)cc4-c3nc2c1 Show InChI InChI=1S/C15H10BrClN2O/c16-9-1-4-14-11(7-9)15-18-12-8-10(17)2-3-13(12)19(15)5-6-20-14/h1-4,7-8H,5-6H2	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	188	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant PI3Kbeta (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kina...				Bioorg Med Chem 23: 1231-40 (2015) Article DOI: 10.1016/j.bmc.2015.01.052 BindingDB Entry DOI: 10.7270/Q2BC417K
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50293101 (5-(2,4-dimethoxyphenyl)-3-phenyl-1,2,4-oxadiazole ...) Show SMILES COc1ccc(-c2nc(no2)-c2ccccc2)c(OC)c1 Show InChI InChI=1S/C16H14N2O3/c1-19-12-8-9-13(14(10-12)20-2)16-17-15(18-21-16)11-6-4-3-5-7-11/h3-10H,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of luciferin binding site of Photinus pyralis luciferase by noncompetitive inhibition assay				J Med Chem 52: 1450-8 (2010) Article DOI: 10.1021/jm8014525 BindingDB Entry DOI: 10.7270/Q2XD11PW
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50129791 ((4-Benzothiazol-2-yl-phenyl)-dimethyl-amine | 4-(B...) Show SMILES CN(C)c1ccc(cc1)-c1nc2ccccc2s1 Show InChI InChI=1S/C15H14N2S/c1-17(2)12-9-7-11(8-10-12)15-16-13-5-3-4-6-14(13)18-15/h3-10H,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of luciferin binding site of Photinus pyralis luciferase by competitive inhibition assay				J Med Chem 52: 1450-8 (2010) Article DOI: 10.1021/jm8014525 BindingDB Entry DOI: 10.7270/Q2XD11PW
					More data for this Ligand-Target Pair
Galactokinase (Homo sapiens (Human))	BDBM50588154 (CHEMBL5087173) Show SMILES CC1=C(C(N=C(Nc2nc3cccc(N)c3o2)N1)c1ccc(C)cc1Cl)C(=O)NCc1cnn(C)c1 |t:1,4| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	209	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00945 BindingDB Entry DOI: 10.7270/Q2Z323MD
					More data for this Ligand-Target Pair
Galactokinase (Homo sapiens (Human))	BDBM50588153 (CHEMBL5094206) Show SMILES CC1=C(C(N=C(Nc2nc3cccc(N)c3o2)N1)c1ccccc1Cl)C(=O)Nc1cc(ccn1)C(O)=O |t:1,4| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00945 BindingDB Entry DOI: 10.7270/Q2Z323MD
					More data for this Ligand-Target Pair
Galactokinase (Homo sapiens (Human))	BDBM50588154 (CHEMBL5087173) Show SMILES CC1=C(C(N=C(Nc2nc3cccc(N)c3o2)N1)c1ccc(C)cc1Cl)C(=O)NCc1cnn(C)c1 |t:1,4| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00945 BindingDB Entry DOI: 10.7270/Q2Z323MD
					More data for this Ligand-Target Pair

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