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 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 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 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 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 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| | 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| | 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| | 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| | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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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 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
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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| | 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| | 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
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
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| 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 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
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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 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
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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 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 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 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| | 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| | 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| | 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 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| | 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| | 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 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| | 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
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| | 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| | 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 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 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 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 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
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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| | 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| | 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| | 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 | |