Found 157 hits with Last Name = 'ryan' and Initial = 'rm' 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 |
|---|
Sodium- and chloride-dependent glycine transporter 2
(Homo sapiens (Human)) | BDBM50102692
(4-Benzyloxy-N-(1-dimethylamino-cyclopentylmethyl)-...)Show SMILES COc1cc(cc(OC)c1OCc1ccccc1)C(=O)NCC1(CCCC1)N(C)C Show InChI InChI=1S/C24H32N2O4/c1-26(2)24(12-8-9-13-24)17-25-23(27)19-14-20(28-3)22(21(15-19)29-4)30-16-18-10-6-5-7-11-18/h5-7,10-11,14-15H,8-9,12-13,16-17H2,1-4H3,(H,25,27) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GlyT2a expressed in Xenopus laevis oocytes assessed as reduction in channel current by two-electrode voltage clamp el... |
J Med Chem 62: 2466-2484 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01775
BindingDB Entry DOI: 10.7270/Q21R6V1K |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50236543
(CHEMBL4078550)Show SMILES CC(=O)Nc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc(O)cc3)c2c1 Show InChI InChI=1S/C21H17N3O2/c1-13(25)24-17-6-2-14(3-7-17)16-10-19-20(12-23-21(19)22-11-16)15-4-8-18(26)9-5-15/h2-12,26H,1H3,(H,22,23)(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
QIMR Berghofer Medical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1A (unknown origin) using woodtide as substrate after 10 mins in presence of [gamma-33P]ATP by microbeta scintillation counting |
J Med Chem 60: 2052-2070 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50445231
(CHEMBL3102950)Show InChI InChI=1S/C19H14N2O2/c22-15-5-1-12(2-6-15)14-9-17-18(11-21-19(17)20-10-14)13-3-7-16(23)8-4-13/h1-11,22-23H,(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
QIMR Berghofer Medical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1A (unknown origin) using woodtide as substrate after 10 mins in presence of [gamma-33P]ATP by microbeta scintillation counting |
J Med Chem 60: 2052-2070 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50445231
(CHEMBL3102950)Show InChI InChI=1S/C19H14N2O2/c22-15-5-1-12(2-6-15)14-9-17-18(11-21-19(17)20-10-14)13-3-7-16(23)8-4-13/h1-11,22-23H,(H,20,21) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
QIMR Berghofer Medical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against Cyclin-dependent kinase 1-cyclin B |
J Med Chem 60: 2052-2070 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 2
(Homo sapiens (Human)) | BDBM50102692
(4-Benzyloxy-N-(1-dimethylamino-cyclopentylmethyl)-...)Show SMILES COc1cc(cc(OC)c1OCc1ccccc1)C(=O)NCC1(CCCC1)N(C)C Show InChI InChI=1S/C24H32N2O4/c1-26(2)24(12-8-9-13-24)17-25-23(27)19-14-20(28-3)22(21(15-19)29-4)30-16-18-10-6-5-7-11-18/h5-7,10-11,14-15H,8-9,12-13,16-17H2,1-4H3,(H,25,27) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
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 |
University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GlyT2 |
J Med Chem 62: 2466-2484 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01775
BindingDB Entry DOI: 10.7270/Q21R6V1K |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50236541
(CHEMBL4067661)Show SMILES NC(=O)Nc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc(O)cc3)c2c1 Show InChI InChI=1S/C20H16N4O2/c21-20(26)24-15-5-1-12(2-6-15)14-9-17-18(11-23-19(17)22-10-14)13-3-7-16(25)8-4-13/h1-11,25H,(H,22,23)(H3,21,24,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
QIMR Berghofer Medical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1B (unknown origin) using woodtide as substrate after 40 mins in presence of [gamma-33P]ATP by microbeta scintillation counting |
J Med Chem 60: 2052-2070 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 2
(Homo sapiens (Human)) | BDBM50537022
(CHEMBL4587165)Show SMILES Cl.CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C24H46N2O3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(27)26-22(24(28)29)19-17-18-21-25;/h9-10,22H,2-8,11-21,25H2,1H3,(H,26,27)(H,28,29);1H/b10-9-;/t22-;/m0./s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GlyT2a expressed in Xenopus laevis oocytes assessed as reduction in channel current by two-electrode voltage clamp el... |
J Med Chem 62: 2466-2484 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01775
BindingDB Entry DOI: 10.7270/Q21R6V1K |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 2
(Homo sapiens (Human)) | BDBM50537040
(CHEMBL4515597)Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](CCSC)C(O)=O |r| Show InChI InChI=1S/C23H43NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)24-21(23(26)27)19-20-28-2/h10-11,21H,3-9,12-20H2,1-2H3,(H,24,25)(H,26,27)/b11-10-/t21-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GlyT2a expressed in Xenopus laevis oocytes assessed as reduction in channel current by two-electrode voltage clamp el... |
J Med Chem 62: 2466-2484 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01775
BindingDB Entry DOI: 10.7270/Q21R6V1K |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50236541
(CHEMBL4067661)Show SMILES NC(=O)Nc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc(O)cc3)c2c1 Show InChI InChI=1S/C20H16N4O2/c21-20(26)24-15-5-1-12(2-6-15)14-9-17-18(11-23-19(17)22-10-14)13-3-7-16(25)8-4-13/h1-11,25H,(H,22,23)(H3,21,24,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
QIMR Berghofer Medical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against Cyclin-dependent kinase 1-cyclin B |
J Med Chem 60: 2052-2070 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50236544
(CHEMBL4096575)Show InChI InChI=1S/C19H15N3O/c20-15-5-1-12(2-6-15)14-9-17-18(11-22-19(17)21-10-14)13-3-7-16(23)8-4-13/h1-11,23H,20H2,(H,21,22) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
QIMR Berghofer Medical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1B (unknown origin) using woodtide as substrate after 40 mins in presence of [gamma-33P]ATP by microbeta scintillation counting |
J Med Chem 60: 2052-2070 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 2
(Homo sapiens (Human)) | BDBM50537034
(CHEMBL4572247)Show SMILES Cl.CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](CCCN)C(O)=O |r| Show InChI InChI=1S/C23H44N2O3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(26)25-21(23(27)28)18-17-20-24;/h9-10,21H,2-8,11-20,24H2,1H3,(H,25,26)(H,27,28);1H/b10-9-;/t21-;/m0./s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GlyT2a expressed in Xenopus laevis oocytes assessed as reduction in channel current by two-electrode voltage clamp el... |
J Med Chem 62: 2466-2484 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01775
BindingDB Entry DOI: 10.7270/Q21R6V1K |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM100152
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
QIMR Berghofer Medical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1A (unknown origin) using woodtide as substrate after 10 mins in presence of [gamma-33P]ATP by microbeta scintillation counting |
J Med Chem 60: 2052-2070 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50236543
(CHEMBL4078550)Show SMILES CC(=O)Nc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc(O)cc3)c2c1 Show InChI InChI=1S/C21H17N3O2/c1-13(25)24-17-6-2-14(3-7-17)16-10-19-20(12-23-21(19)22-11-16)15-4-8-18(26)9-5-15/h2-12,26H,1H3,(H,22,23)(H,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
QIMR Berghofer Medical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1B (unknown origin) using woodtide as substrate after 40 mins in presence of [gamma-33P]ATP by microbeta scintillation counting |
J Med Chem 60: 2052-2070 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50236545
(CHEMBL4087125)Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(cc1)-c1nnn[nH]1 Show InChI InChI=1S/C20H14N6O/c27-16-7-5-13(6-8-16)18-11-22-20-17(18)9-15(10-21-20)12-1-3-14(4-2-12)19-23-25-26-24-19/h1-11,27H,(H,21,22)(H,23,24,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
QIMR Berghofer Medical Research Institute
Curated by ChEMBL
| Assay Description
Antagonistic activity against human androgen receptor (hAR) in CV-1 cells using cotransfection assay |
J Med Chem 60: 2052-2070 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50236544
(CHEMBL4096575)Show InChI InChI=1S/C19H15N3O/c20-15-5-1-12(2-6-15)14-9-17-18(11-22-19(17)21-10-14)13-3-7-16(23)8-4-13/h1-11,23H,20H2,(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
QIMR Berghofer Medical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1A (unknown origin) using woodtide as substrate after 10 mins in presence of [gamma-33P]ATP by microbeta scintillation counting |
J Med Chem 60: 2052-2070 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 2
(Homo sapiens (Human)) | BDBM50537044
(CHEMBL4562565)Show SMILES Cl.Cl.CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C24H46N4O3.2ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(29)28-21(23(30)31)18-17-20-27-24(25)26;;/h9-10,21H,2-8,11-20H2,1H3,(H,28,29)(H,30,31)(H4,25,26,27);2*1H/b10-9-;;/t21-;;/m0../s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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 |
University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GlyT2a expressed in Xenopus laevis oocytes assessed as reduction in channel current by two-electrode voltage clamp el... |
J Med Chem 62: 2466-2484 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01775
BindingDB Entry DOI: 10.7270/Q21R6V1K |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 2
(Homo sapiens (Human)) | BDBM50537033
(CHEMBL4535356)Show SMILES Cl.CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C24H46N2O3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(27)26-22(24(28)29)19-17-18-21-25;/h9-10,22H,2-8,11-21,25H2,1H3,(H,26,27)(H,28,29);1H/b10-9-;/t22-;/m1./s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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 |
University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GlyT2a expressed in Xenopus laevis oocytes assessed as reduction in channel current by two-electrode voltage clamp el... |
J Med Chem 62: 2466-2484 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01775
BindingDB Entry DOI: 10.7270/Q21R6V1K |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50236546
(CHEMBL4065701)Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C21H15N3O/c25-17-4-1-13(2-5-17)19-12-24-21-18(19)10-16(11-23-21)14-3-6-20-15(9-14)7-8-22-20/h1-12,22,25H,(H,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
QIMR Berghofer Medical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1B (unknown origin) using woodtide as substrate after 40 mins in presence of [gamma-33P]ATP by microbeta scintillation counting |
J Med Chem 60: 2052-2070 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 2
(Homo sapiens (Human)) | BDBM50537043
(CHEMBL4227139)Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C29H44N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28(32)31-27(29(33)34)22-24-23-30-26-20-18-17-19-25(24)26/h9-10,17-20,23,27,30H,2-8,11-16,21-22H2,1H3,(H,31,32)(H,33,34)/b10-9-/t27-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GlyT2a expressed in Xenopus laevis oocytes assessed as reduction in channel current by two-electrode voltage clamp el... |
J Med Chem 62: 2466-2484 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01775
BindingDB Entry DOI: 10.7270/Q21R6V1K |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50347750
(CHEMBL1802358)Show SMILES O=C1NC(Nc2ccccc2)=NC1=Cc1ccc2OCOc2c1 |w:13.15,c:11| Show InChI InChI=1S/C17H13N3O3/c21-16-13(8-11-6-7-14-15(9-11)23-10-22-14)19-17(20-16)18-12-4-2-1-3-5-12/h1-9H,10H2,(H2,18,19,20,21) | PDB
MMDB
Reactome pathway
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UniChem
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PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
QIMR Berghofer Medical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1A (unknown origin) |
J Med Chem 60: 2052-2070 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50236542
(CHEMBL4088888)Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc(O)cc3)c2c1 Show InChI InChI=1S/C20H17N3O3S/c1-27(25,26)23-16-6-2-13(3-7-16)15-10-18-19(12-22-20(18)21-11-15)14-4-8-17(24)9-5-14/h2-12,23-24H,1H3,(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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| CHEMBL
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PC sid
UniChem
| Article
PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
QIMR Berghofer Medical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1A (unknown origin) using woodtide as substrate after 10 mins in presence of [gamma-33P]ATP by microbeta scintillation counting |
J Med Chem 60: 2052-2070 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 2
(Homo sapiens (Human)) | BDBM50537049
(CHEMBL4527071)Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](CO)C(O)=O |r| Show InChI InChI=1S/C21H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(24)22-19(18-23)21(25)26/h9-10,19,23H,2-8,11-18H2,1H3,(H,22,24)(H,25,26)/b10-9-/t19-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GlyT2a expressed in Xenopus laevis oocytes assessed as reduction in channel current by two-electrode voltage clamp el... |
J Med Chem 62: 2466-2484 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01775
BindingDB Entry DOI: 10.7270/Q21R6V1K |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 2
(Homo sapiens (Human)) | BDBM50537023
(CHEMBL4542099)Show SMILES Cl.Cl.CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C24H46N4O3.2ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(29)28-21(23(30)31)18-17-20-27-24(25)26;;/h9-10,21H,2-8,11-20H2,1H3,(H,28,29)(H,30,31)(H4,25,26,27);2*1H/b10-9-;;/t21-;;/m1../s1 | Reactome pathway
KEGG
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GlyT2a expressed in Xenopus laevis oocytes assessed as reduction in channel current by two-electrode voltage clamp el... |
J Med Chem 62: 2466-2484 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01775
BindingDB Entry DOI: 10.7270/Q21R6V1K |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase CLK1
(Homo sapiens (Human)) | BDBM50347750
(CHEMBL1802358)Show SMILES O=C1NC(Nc2ccccc2)=NC1=Cc1ccc2OCOc2c1 |w:13.15,c:11| Show InChI InChI=1S/C17H13N3O3/c21-16-13(8-11-6-7-14-15(9-11)23-10-22-14)19-17(20-16)18-12-4-2-1-3-5-12/h1-9H,10H2,(H2,18,19,20,21) | PDB
MMDB
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
QIMR Berghofer Medical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CLK1 (unknown origin) |
J Med Chem 60: 2052-2070 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50236537
(CHEMBL4084605)Show SMILES Oc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1 Show InChI InChI=1S/C21H15N3O/c25-17-4-1-13(2-5-17)16-10-18-19(12-24-21(18)23-11-16)14-3-6-20-15(9-14)7-8-22-20/h1-12,22,25H,(H,23,24) | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
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UniChem
Similars
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PubMed
| n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
QIMR Berghofer Medical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1B (unknown origin) using woodtide as substrate after 40 mins in presence of [gamma-33P]ATP by microbeta scintillation counting |
J Med Chem 60: 2052-2070 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50236545
(CHEMBL4087125)Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(cc1)-c1nnn[nH]1 Show InChI InChI=1S/C20H14N6O/c27-16-7-5-13(6-8-16)18-11-22-20-17(18)9-15(10-21-20)12-1-3-14(4-2-12)19-23-25-26-24-19/h1-11,27H,(H,21,22)(H,23,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
QIMR Berghofer Medical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1A (unknown origin) using woodtide as substrate after 10 mins in presence of [gamma-33P]ATP by microbeta scintillation counting |
J Med Chem 60: 2052-2070 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 2
(Homo sapiens (Human)) | BDBM50537054
(CHEMBL4549008)Show SMILES Cl.CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](CCCCN)C(=O)OC |r| Show InChI InChI=1S/C25H48N2O3.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24(28)27-23(25(29)30-2)20-18-19-22-26;/h10-11,23H,3-9,12-22,26H2,1-2H3,(H,27,28);1H/b11-10-;/t23-;/m0./s1 | Reactome pathway
KEGG
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| PC cid
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| Article
PubMed
| n/a | n/a | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GlyT2a expressed in Xenopus laevis oocytes assessed as reduction in channel current by two-electrode voltage clamp el... |
J Med Chem 62: 2466-2484 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01775
BindingDB Entry DOI: 10.7270/Q21R6V1K |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 2
(Homo sapiens (Human)) | BDBM50256745
((2S)-2-amino-3-((2-(benzyloxy)phenyl)(3-fluorophen...)Show SMILES N[C@@H](COC(c1cccc(F)c1)c1ccccc1OCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C23H22FNO4/c24-18-10-6-9-17(13-18)22(29-15-20(25)23(26)27)19-11-4-5-12-21(19)28-14-16-7-2-1-3-8-16/h1-13,20,22H,14-15,25H2,(H,26,27)/t20-,22?/m0/s1 | Reactome pathway
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CHEMBL
MCE
PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of full length human GlyT2 expressed in FreeStyle 293-F suspension cells incubated for 30 mins before [3H]glycine addition and measured af... |
J Med Chem 62: 2466-2484 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01775
BindingDB Entry DOI: 10.7270/Q21R6V1K |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 2
(Homo sapiens (Human)) | BDBM50023924
(CHEMBL3325507)Show SMILES CN1CCC(CC1)NC(=O)c1ccc(COc2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C21H23F3N2O2/c1-26-12-10-18(11-13-26)25-20(27)16-4-2-15(3-5-16)14-28-19-8-6-17(7-9-19)21(22,23)24/h2-9,18H,10-14H2,1H3,(H,25,27) | Reactome pathway
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| n/a | n/a | 105 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description
Reversible inhibition of recombinant human GlyT2 expressed in HEK293 cells assessed as reduction in [3H]-glycine uptake after 2 hrs by top count assa... |
J Med Chem 62: 2466-2484 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01775
BindingDB Entry DOI: 10.7270/Q21R6V1K |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50236550
(CHEMBL4105239)Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)C(=O)Nc1cccc(O)c1 Show InChI InChI=1S/C20H15N3O3/c24-15-6-4-12(5-7-15)18-11-22-19-17(18)8-13(10-21-19)20(26)23-14-2-1-3-16(25)9-14/h1-11,24-25H,(H,21,22)(H,23,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 127 | n/a | n/a | n/a | n/a | n/a | n/a |
QIMR Berghofer Medical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1A (unknown origin) using woodtide as substrate after 10 mins in presence of [gamma-33P]ATP by microbeta scintillation counting |
J Med Chem 60: 2052-2070 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50236540
(CHEMBL4080994)Show SMILES Oc1ccc(NC(=O)c2cnc3[nH]cc(-c4ccc(O)cc4)c3c2)cc1 Show InChI InChI=1S/C20H15N3O3/c24-15-5-1-12(2-6-15)18-11-22-19-17(18)9-13(10-21-19)20(26)23-14-3-7-16(25)8-4-14/h1-11,24-25H,(H,21,22)(H,23,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 128 | n/a | n/a | n/a | n/a | n/a | n/a |
QIMR Berghofer Medical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1B (unknown origin) using woodtide as substrate after 40 mins in presence of [gamma-33P]ATP by microbeta scintillation counting |
J Med Chem 60: 2052-2070 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 2
(Homo sapiens (Human)) | BDBM50537031
(CHEMBL4540633)Show SMILES Cl.CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |r| Show InChI InChI=1S/C24H41N3O3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(28)27-22(24(29)30)18-21-19-25-20-26-21;/h9-10,19-20,22H,2-8,11-18H2,1H3,(H,25,26)(H,27,28)(H,29,30);1H/b10-9-;/t22-;/m0./s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GlyT2a expressed in Xenopus laevis oocytes assessed as reduction in channel current by two-electrode voltage clamp el... |
J Med Chem 62: 2466-2484 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01775
BindingDB Entry DOI: 10.7270/Q21R6V1K |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50236542
(CHEMBL4088888)Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc(O)cc3)c2c1 Show InChI InChI=1S/C20H17N3O3S/c1-27(25,26)23-16-6-2-13(3-7-16)15-10-18-19(12-22-20(18)21-11-15)14-4-8-17(24)9-5-14/h2-12,23-24H,1H3,(H,21,22) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
QIMR Berghofer Medical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1B (unknown origin) using woodtide as substrate after 40 mins in presence of [gamma-33P]ATP by microbeta scintillation counting |
J Med Chem 60: 2052-2070 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50236550
(CHEMBL4105239)Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)C(=O)Nc1cccc(O)c1 Show InChI InChI=1S/C20H15N3O3/c24-15-6-4-12(5-7-15)18-11-22-19-17(18)8-13(10-21-19)20(26)23-14-2-1-3-16(25)9-14/h1-11,24-25H,(H,21,22)(H,23,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 138 | n/a | n/a | n/a | n/a | n/a | n/a |
QIMR Berghofer Medical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1B (unknown origin) using woodtide as substrate after 40 mins in presence of [gamma-33P]ATP by microbeta scintillation counting |
J Med Chem 60: 2052-2070 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 2
(Homo sapiens (Human)) | BDBM50537017
(CHEMBL4228560)Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](CC(C)C)C(O)=O |r| Show InChI InChI=1S/C24H45NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)25-22(24(27)28)20-21(2)3/h11-12,21-22H,4-10,13-20H2,1-3H3,(H,25,26)(H,27,28)/b12-11-/t22-/m0/s1 | Reactome pathway
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MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 143 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GlyT2a expressed in Xenopus laevis oocytes assessed as reduction in channel current by two-electrode voltage clamp el... |
J Med Chem 62: 2466-2484 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01775
BindingDB Entry DOI: 10.7270/Q21R6V1K |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 2
(Homo sapiens (Human)) | BDBM50537029
(CHEMBL4592570)Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](CCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C28H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-27(30)29-26(28(31)32)24-23-25-20-17-16-18-21-25/h9-10,16-18,20-21,26H,2-8,11-15,19,22-24H2,1H3,(H,29,30)(H,31,32)/b10-9-/t26-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 151 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GlyT2a expressed in Xenopus laevis oocytes assessed as reduction in channel current by two-electrode voltage clamp el... |
J Med Chem 62: 2466-2484 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01775
BindingDB Entry DOI: 10.7270/Q21R6V1K |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 2
(Homo sapiens (Human)) | BDBM50537045
(CHEMBL4562110)Show SMILES Cl.CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](CCN)C(O)=O |r| Show InChI InChI=1S/C22H42N2O3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)24-20(18-19-23)22(26)27;/h9-10,20H,2-8,11-19,23H2,1H3,(H,24,25)(H,26,27);1H/b10-9-;/t20-;/m0./s1 | Reactome pathway
KEGG
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 152 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GlyT2a expressed in Xenopus laevis oocytes assessed as reduction in channel current by two-electrode voltage clamp el... |
J Med Chem 62: 2466-2484 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01775
BindingDB Entry DOI: 10.7270/Q21R6V1K |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM100152
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3 | PDB
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| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
QIMR Berghofer Medical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of recombinant GST-tagged DYRK1B (unknown origin) expressed in Escherichia coli using DYRKtide as substrate after 5 mins in presence of [g... |
J Med Chem 60: 2052-2070 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 2
(Homo sapiens (Human)) | BDBM50445231
(CHEMBL3102950)Show InChI InChI=1S/C19H14N2O2/c22-15-5-1-12(2-6-15)14-9-17-18(11-21-19(17)20-10-14)13-3-7-16(23)8-4-13/h1-11,22-23H,(H,20,21) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 166 | n/a | n/a | n/a | n/a | n/a | n/a |
QIMR Berghofer Medical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of DYRK2 (unknown origin) using woodtide as substrate after 40 mins in presence of [gamma-33P]ATP by microbeta scintillation counting |
J Med Chem 60: 2052-2070 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50236537
(CHEMBL4084605)Show SMILES Oc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1 Show InChI InChI=1S/C21H15N3O/c25-17-4-1-13(2-5-17)16-10-18-19(12-24-21(18)23-11-16)14-3-6-20-15(9-14)7-8-22-20/h1-12,22,25H,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 169 | n/a | n/a | n/a | n/a | n/a | n/a |
QIMR Berghofer Medical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1A (unknown origin) using woodtide as substrate after 10 mins in presence of [gamma-33P]ATP by microbeta scintillation counting |
J Med Chem 60: 2052-2070 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50236536
(CHEMBL4102553)Show SMILES Oc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc(cc3)-c3nnn[nH]3)c2c1 Show InChI InChI=1S/C20H14N6O/c27-16-7-5-12(6-8-16)15-9-17-18(11-22-20(17)21-10-15)13-1-3-14(4-2-13)19-23-25-26-24-19/h1-11,27H,(H,21,22)(H,23,24,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 172 | n/a | n/a | n/a | n/a | n/a | n/a |
QIMR Berghofer Medical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1B (unknown origin) using woodtide as substrate after 40 mins in presence of [gamma-33P]ATP by microbeta scintillation counting |
J Med Chem 60: 2052-2070 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 2
(Homo sapiens (Human)) | BDBM50537035
(CHEMBL4549529)Show SMILES Cl.CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](CN)C(O)=O |r| Show InChI InChI=1S/C21H40N2O3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(24)23-19(18-22)21(25)26;/h9-10,19H,2-8,11-18,22H2,1H3,(H,23,24)(H,25,26);1H/b10-9-;/t19-;/m0./s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 182 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GlyT2a expressed in Xenopus laevis oocytes assessed as reduction in channel current by two-electrode voltage clamp el... |
J Med Chem 62: 2466-2484 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01775
BindingDB Entry DOI: 10.7270/Q21R6V1K |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50236547
(CHEMBL4075959)Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C19H13N3O3/c23-16-7-3-13(4-8-16)18-11-21-19-17(18)9-14(10-20-19)12-1-5-15(6-2-12)22(24)25/h1-11,23H,(H,20,21) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 198 | n/a | n/a | n/a | n/a | n/a | n/a |
QIMR Berghofer Medical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1B (unknown origin) using woodtide as substrate after 40 mins in presence of [gamma-33P]ATP by microbeta scintillation counting |
J Med Chem 60: 2052-2070 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50236546
(CHEMBL4065701)Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C21H15N3O/c25-17-4-1-13(2-5-17)19-12-24-21-18(19)10-16(11-23-21)14-3-6-20-15(9-14)7-8-22-20/h1-12,22,25H,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 204 | n/a | n/a | n/a | n/a | n/a | n/a |
QIMR Berghofer Medical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1A (unknown origin) using woodtide as substrate after 10 mins in presence of [gamma-33P]ATP by microbeta scintillation counting |
J Med Chem 60: 2052-2070 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50236547
(CHEMBL4075959)Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C19H13N3O3/c23-16-7-3-13(4-8-16)18-11-21-19-17(18)9-14(10-20-19)12-1-5-15(6-2-12)22(24)25/h1-11,23H,(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 212 | n/a | n/a | n/a | n/a | n/a | n/a |
QIMR Berghofer Medical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1A (unknown origin) using woodtide as substrate after 10 mins in presence of [gamma-33P]ATP by microbeta scintillation counting |
J Med Chem 60: 2052-2070 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 2
(Homo sapiens (Human)) | BDBM50537028
(CHEMBL4228763)Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C27H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(29)28-25(27(30)31)23-24-20-17-16-18-21-24/h9-10,16-18,20-21,25H,2-8,11-15,19,22-23H2,1H3,(H,28,29)(H,30,31)/b10-9-/t25-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 214 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GlyT2a expressed in Xenopus laevis oocytes assessed as reduction in channel current by two-electrode voltage clamp el... |
J Med Chem 62: 2466-2484 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01775
BindingDB Entry DOI: 10.7270/Q21R6V1K |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 2
(Homo sapiens (Human)) | BDBM50537048
(CHEMBL4576431)Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](CCSC)C(O)=O |r| Show InChI InChI=1S/C23H43NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)24-21(23(26)27)19-20-28-2/h10-11,21H,3-9,12-20H2,1-2H3,(H,24,25)(H,26,27)/b11-10-/t21-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 259 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GlyT2a expressed in Xenopus laevis oocytes assessed as reduction in channel current by two-electrode voltage clamp el... |
J Med Chem 62: 2466-2484 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01775
BindingDB Entry DOI: 10.7270/Q21R6V1K |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 2
(Homo sapiens (Human)) | BDBM50537019
(CHEMBL4526987)Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](CCCC)C(O)=O |r| Show InChI InChI=1S/C24H45NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23(26)25-22(24(27)28)20-6-4-2/h12-13,22H,3-11,14-21H2,1-2H3,(H,25,26)(H,27,28)/b13-12-/t22-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 259 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GlyT2a expressed in Xenopus laevis oocytes assessed as reduction in channel current by two-electrode voltage clamp el... |
J Med Chem 62: 2466-2484 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01775
BindingDB Entry DOI: 10.7270/Q21R6V1K |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50236536
(CHEMBL4102553)Show SMILES Oc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc(cc3)-c3nnn[nH]3)c2c1 Show InChI InChI=1S/C20H14N6O/c27-16-7-5-12(6-8-16)15-9-17-18(11-22-20(17)21-10-15)13-1-3-14(4-2-13)19-23-25-26-24-19/h1-11,27H,(H,21,22)(H,23,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
QIMR Berghofer Medical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1A (unknown origin) using woodtide as substrate after 10 mins in presence of [gamma-33P]ATP by microbeta scintillation counting |
J Med Chem 60: 2052-2070 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 2
(Homo sapiens (Human)) | BDBM50537032
(CHEMBL4559571)Show SMILES Cl.CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](Cc1cnc[nH]1)C(O)=O |r| Show InChI InChI=1S/C24H41N3O3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(28)27-22(24(29)30)18-21-19-25-20-26-21;/h9-10,19-20,22H,2-8,11-18H2,1H3,(H,25,26)(H,27,28)(H,29,30);1H/b10-9-;/t22-;/m1./s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 313 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GlyT2a expressed in Xenopus laevis oocytes assessed as reduction in channel current by two-electrode voltage clamp el... |
J Med Chem 62: 2466-2484 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01775
BindingDB Entry DOI: 10.7270/Q21R6V1K |
More data for this
Ligand-Target Pair | |
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