Found 578 hits with Last Name = 'im' and Initial = 'cy' 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 |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50146027
(CHEMBL3763213)Show SMILES CC(C)[C@H](C)n1cc(-c2cc(N3CCOCC3)n(C)n2)c2[nH]nc(N)c2c1=O |r| Show InChI InChI=1S/C19H27N7O2/c1-11(2)12(3)26-10-13(17-16(19(26)27)18(20)22-21-17)14-9-15(24(4)23-14)25-5-7-28-8-6-25/h9-12H,5-8H2,1-4H3,(H3,20,21,22)/t12-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.550 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description Inhibition of recombinant human TYK2 kinase domain (885-1176 residues) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent sub... |
J Med Chem 59: 733-49 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01857 BindingDB Entry DOI: 10.7270/Q2057HSH |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50021656
(BARICITINIB | INCB-028050 | LY-3009104 | US1011290...)Show SMILES CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20) | PDB
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 | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description Inhibition of JAK2 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min... |
J Med Chem 59: 733-49 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01857 BindingDB Entry DOI: 10.7270/Q2057HSH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50146030
(CHEMBL3763991)Show SMILES CC(C)[C@H](C)n1cc(-c2ccc(cn2)N2CCOCC2)c2[nH]nc(N)c2c1=O |r| Show InChI InChI=1S/C20H26N6O2/c1-12(2)13(3)26-11-15(18-17(20(26)27)19(21)24-23-18)16-5-4-14(10-22-16)25-6-8-28-9-7-25/h4-5,10-13H,6-9H2,1-3H3,(H3,21,23,24)/t13-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.920 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description Inhibition of recombinant human TYK2 kinase domain (885-1176 residues) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent sub... |
J Med Chem 59: 733-49 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01857 BindingDB Entry DOI: 10.7270/Q2057HSH |
More data for this Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50146026
(CHEMBL3764277)Show SMILES CC(C)[C@H](C)n1cc(-c2cc(C3CCOCC3)n(C)n2)c2[nH]nc(N)c2c1=O |r| Show InChI InChI=1S/C20H28N6O2/c1-11(2)12(3)26-10-14(18-17(20(26)27)19(21)23-22-18)15-9-16(25(4)24-15)13-5-7-28-8-6-13/h9-13H,5-8H2,1-4H3,(H3,21,22,23)/t12-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.980 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description Inhibition of recombinant human TYK2 kinase domain (885-1176 residues) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent sub... |
J Med Chem 59: 733-49 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01857 BindingDB Entry DOI: 10.7270/Q2057HSH |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50021656
(BARICITINIB | INCB-028050 | LY-3009104 | US1011290...)Show SMILES CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 0.990 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description Inhibition of JAK1 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min... |
J Med Chem 59: 733-49 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01857 BindingDB Entry DOI: 10.7270/Q2057HSH |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM11390
(2-(3-Hydroxyphenyl)-3-(4-morpholinylmethyl)-2H-thi...)Show SMILES NS(=O)(=O)c1cc2C=C(CN3CCOCC3)N(c3cccc(O)c3)S(=O)(=O)c2s1 |t:7| Show InChI InChI=1S/C17H19N3O6S3/c18-28(22,23)16-9-12-8-14(11-19-4-6-26-7-5-19)20(29(24,25)17(12)27-16)13-2-1-3-15(21)10-13/h1-3,8-10,21H,4-7,11H2,(H2,18,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Concentration which produces 50% inhibition of human Carbonic anhydrase II |
J Med Chem 45: 888-93 (2002)
Article DOI: 10.1021/jm010163d BindingDB Entry DOI: 10.7270/Q2P84FN0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50146025
(CHEMBL3765517)Show SMILES CC(C)[C@H](C)n1cc(-c2cc(N3CCS(=O)(=O)CC3)n(C)n2)c2[nH]nc(N)c2c1=O |r| Show InChI InChI=1S/C19H27N7O3S/c1-11(2)12(3)26-10-13(17-16(19(26)27)18(20)22-21-17)14-9-15(24(4)23-14)25-5-7-30(28,29)8-6-25/h9-12H,5-8H2,1-4H3,(H3,20,21,22)/t12-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description Inhibition of recombinant human TYK2 kinase domain (885-1176 residues) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent sub... |
J Med Chem 59: 733-49 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01857 BindingDB Entry DOI: 10.7270/Q2057HSH |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM11392
((4R)-4-amino-2-(3-methoxypropyl)-1,1-dioxo-2H,3H,4...)Show SMILES COCCCN1C[C@H](N)c2cc(sc2S1(=O)=O)S(N)(=O)=O |r| Show InChI InChI=1S/C10H17N3O5S3/c1-18-4-2-3-13-6-8(11)7-5-9(20(12,14)15)19-10(7)21(13,16)17/h5,8H,2-4,6,11H2,1H3,(H2,12,14,15)/t8-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Concentration which produces 50% inhibition of human Carbonic anhydrase II |
J Med Chem 45: 888-93 (2002)
Article DOI: 10.1021/jm010163d BindingDB Entry DOI: 10.7270/Q2P84FN0 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM11391
(2-(3-Methoxyphenyl)-3-[(4-morpholinyl)methyl]-2H-t...)Show SMILES COc1cccc(c1)N1C(CN2CCOCC2)=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O |c:18| Show InChI InChI=1S/C18H21N3O6S3/c1-26-16-4-2-3-14(11-16)21-15(12-20-5-7-27-8-6-20)9-13-10-17(29(19,22)23)28-18(13)30(21,24)25/h2-4,9-11H,5-8,12H2,1H3,(H2,19,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Concentration which produces 50% inhibition of human Carbonic anhydrase II |
J Med Chem 45: 888-93 (2002)
Article DOI: 10.1021/jm010163d BindingDB Entry DOI: 10.7270/Q2P84FN0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50307460
((1S,2R)-1-(7-Fluoro-3,3-dimethyl-2,3-dihydro-1H-in...)Show SMILES CNC[C@@H](O)[C@@H](N1CC(C)(C)c2cccc(F)c12)c1cccc(F)c1 |r| Show InChI InChI=1S/C20H24F2N2O/c1-20(2)12-24(19-15(20)8-5-9-16(19)22)18(17(25)11-23-3)13-6-4-7-14(21)10-13/h4-10,17-18,23,25H,11-12H2,1-3H3/t17-,18+/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells |
J Med Chem 53: 2051-62 (2010)
Article DOI: 10.1021/jm901559e BindingDB Entry DOI: 10.7270/Q21J99VS |
More data for this Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50146031
(CHEMBL3763252)Show SMILES CC(C)C(C)n1cc(-c2ccc(cn2)N2CCOCC2)c2[nH]nc(N)c2c1=O Show InChI InChI=1S/C20H26N6O2/c1-12(2)13(3)26-11-15(18-17(20(26)27)19(21)24-23-18)16-5-4-14(10-22-16)25-6-8-28-9-7-25/h4-5,10-13H,6-9H2,1-3H3,(H3,21,23,24) | PDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description Inhibition of recombinant human TYK2 kinase domain (885-1176 residues) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent sub... |
J Med Chem 59: 733-49 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01857 BindingDB Entry DOI: 10.7270/Q2057HSH |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50307459
((1S,2R)-1-(7-Fluoro-3,3-dimethyl-2,3-dihydro-1H-in...)Show SMILES CNC[C@@H](O)[C@@H](N1CC(C)(C)c2cccc(F)c12)c1ccccc1 |r| Show InChI InChI=1S/C20H25FN2O/c1-20(2)13-23(19-15(20)10-7-11-16(19)21)18(17(24)12-22-3)14-8-5-4-6-9-14/h4-11,17-18,22,24H,12-13H2,1-3H3/t17-,18+/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells |
J Med Chem 53: 2051-62 (2010)
Article DOI: 10.1021/jm901559e BindingDB Entry DOI: 10.7270/Q21J99VS |
More data for this Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50146024
(CHEMBL3765822)Show SMILES CC(C)[C@@H](C)n1cc(-c2cc(n(C)n2)C(C)(C)O)c2[nH]nc(N)c2c1=O |r| Show InChI InChI=1S/C18H26N6O2/c1-9(2)10(3)24-8-11(15-14(17(24)25)16(19)21-20-15)12-7-13(18(4,5)26)23(6)22-12/h7-10,26H,1-6H3,(H3,19,20,21)/t10-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description Inhibition of recombinant human TYK2 kinase domain (885-1176 residues) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent sub... |
J Med Chem 59: 733-49 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01857 BindingDB Entry DOI: 10.7270/Q2057HSH |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50307469
((1S,2R)-1-(3-Fluorophenyl)-3-(methylamino)-1-(5-me...)Show SMILES CNC[C@@H](O)[C@@H](N1CCc2cc(C)ccc12)c1cccc(F)c1 |r| Show InChI InChI=1S/C19H23FN2O/c1-13-6-7-17-14(10-13)8-9-22(17)19(18(23)12-21-2)15-4-3-5-16(20)11-15/h3-7,10-11,18-19,21,23H,8-9,12H2,1-2H3/t18-,19+/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells |
J Med Chem 53: 2051-62 (2010)
Article DOI: 10.1021/jm901559e BindingDB Entry DOI: 10.7270/Q21J99VS |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50307457
((1S,2R)-1-(3,3-Dimethyl-2,3-dihydro-1H-indol-1-yl)...)Show SMILES CNC[C@@H](O)[C@@H](N1CC(C)(C)c2ccccc12)c1cccc(F)c1 |r| Show InChI InChI=1S/C20H25FN2O/c1-20(2)13-23(17-10-5-4-9-16(17)20)19(18(24)12-22-3)14-7-6-8-15(21)11-14/h4-11,18-19,22,24H,12-13H2,1-3H3/t18-,19+/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells |
J Med Chem 53: 2051-62 (2010)
Article DOI: 10.1021/jm901559e BindingDB Entry DOI: 10.7270/Q21J99VS |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50307459
((1S,2R)-1-(7-Fluoro-3,3-dimethyl-2,3-dihydro-1H-in...)Show SMILES CNC[C@@H](O)[C@@H](N1CC(C)(C)c2cccc(F)c12)c1ccccc1 |r| Show InChI InChI=1S/C20H25FN2O/c1-20(2)13-23(19-15(20)10-7-11-16(19)21)18(17(24)12-22-3)14-8-5-4-6-9-14/h4-11,17-18,22,24H,12-13H2,1-3H3/t17-,18+/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells |
J Med Chem 53: 2051-62 (2010)
Article DOI: 10.1021/jm901559e BindingDB Entry DOI: 10.7270/Q21J99VS |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50307470
((1S,2R)-1-(5-Chloro-2,3-dihydro-1H-indol-1-yl)-1-(...)Show SMILES CNC[C@@H](O)[C@@H](N1CCc2cc(Cl)ccc12)c1cccc(F)c1 |r| Show InChI InChI=1S/C18H20ClFN2O/c1-21-11-17(23)18(13-3-2-4-15(20)10-13)22-8-7-12-9-14(19)5-6-16(12)22/h2-6,9-10,17-18,21,23H,7-8,11H2,1H3/t17-,18+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of serotonin uptake at human SERT expressed in human JAR cells |
J Med Chem 53: 2051-62 (2010)
Article DOI: 10.1021/jm901559e BindingDB Entry DOI: 10.7270/Q21J99VS |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50146027
(CHEMBL3763213)Show SMILES CC(C)[C@H](C)n1cc(-c2cc(N3CCOCC3)n(C)n2)c2[nH]nc(N)c2c1=O |r| Show InChI InChI=1S/C19H27N7O2/c1-11(2)12(3)26-10-13(17-16(19(26)27)18(20)22-21-17)14-9-15(24(4)23-14)25-5-7-28-8-6-25/h9-12H,5-8H2,1-4H3,(H3,20,21,22)/t12-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description Inhibition of JAK3 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min... |
J Med Chem 59: 733-49 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01857 BindingDB Entry DOI: 10.7270/Q2057HSH |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM10885
((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)Show SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Concentration which produces 50% inhibition of human Carbonic anhydrase II |
J Med Chem 45: 888-93 (2002)
Article DOI: 10.1021/jm010163d BindingDB Entry DOI: 10.7270/Q2P84FN0 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50124566
((R)-2-((R)-(2-ethoxyphenoxy)(phenyl)methyl)morphol...)Show InChI InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells |
J Med Chem 53: 2051-62 (2010)
Article DOI: 10.1021/jm901559e BindingDB Entry DOI: 10.7270/Q21J99VS |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM35229
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells |
J Med Chem 53: 2051-62 (2010)
Article DOI: 10.1021/jm901559e BindingDB Entry DOI: 10.7270/Q21J99VS |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50146024
(CHEMBL3765822)Show SMILES CC(C)[C@@H](C)n1cc(-c2cc(n(C)n2)C(C)(C)O)c2[nH]nc(N)c2c1=O |r| Show InChI InChI=1S/C18H26N6O2/c1-9(2)10(3)24-8-11(15-14(17(24)25)16(19)21-20-15)12-7-13(18(4,5)26)23(6)22-12/h7-10,26H,1-6H3,(H3,19,20,21)/t10-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description Inhibition of JAK3 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min... |
J Med Chem 59: 733-49 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01857 BindingDB Entry DOI: 10.7270/Q2057HSH |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM35229
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human NET expressed in MDCK-Net6 cells |
Bioorg Med Chem Lett 19: 5807-10 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.050 BindingDB Entry DOI: 10.7270/Q2H70FV8 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM35229
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of norepinephrine reuptake at human NET expressed in MDCK-Net6 cells |
Bioorg Med Chem Lett 19: 5029-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.053 BindingDB Entry DOI: 10.7270/Q2CC10SH |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM35229
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells |
J Med Chem 53: 2051-62 (2010)
Article DOI: 10.1021/jm901559e BindingDB Entry DOI: 10.7270/Q21J99VS |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50307466
((1S,2R)-1-(3-Fluorophenyl)-3-(methylamino)-1-[(3R)...)Show SMILES CNC[C@@H](O)[C@@H](N1C[C@H](C)c2ccccc12)c1cccc(F)c1 |r| Show InChI InChI=1S/C19H23FN2O/c1-13-12-22(17-9-4-3-8-16(13)17)19(18(23)11-21-2)14-6-5-7-15(20)10-14/h3-10,13,18-19,21,23H,11-12H2,1-2H3/t13-,18+,19-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells |
J Med Chem 53: 2051-62 (2010)
Article DOI: 10.1021/jm901559e BindingDB Entry DOI: 10.7270/Q21J99VS |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50146025
(CHEMBL3765517)Show SMILES CC(C)[C@H](C)n1cc(-c2cc(N3CCS(=O)(=O)CC3)n(C)n2)c2[nH]nc(N)c2c1=O |r| Show InChI InChI=1S/C19H27N7O3S/c1-11(2)12(3)26-10-13(17-16(19(26)27)18(20)22-21-17)14-9-15(24(4)23-14)25-5-7-30(28,29)8-6-25/h9-12H,5-8H2,1-4H3,(H3,20,21,22)/t12-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description Inhibition of JAK3 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min... |
J Med Chem 59: 733-49 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01857 BindingDB Entry DOI: 10.7270/Q2057HSH |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50300525
((1S,2R)-1-(3-fluorophenyl)-1-(3-methyl-1H-indol-1-...)Show SMILES CNC[C@@H](O)[C@H](c1cccc(F)c1)n1cc(C)c2ccccc12 |r| Show InChI InChI=1S/C19H21FN2O/c1-13-12-22(17-9-4-3-8-16(13)17)19(18(23)11-21-2)14-6-5-7-15(20)10-14/h3-10,12,18-19,21,23H,11H2,1-2H3/t18-,19+/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human NET expressed in MDCK-Net6 cells |
Bioorg Med Chem Lett 19: 5807-10 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.050 BindingDB Entry DOI: 10.7270/Q2H70FV8 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50307458
((1S,2R)-1-(3,5-Difluorophenyl)-1-(3,3-dimethyl-2,3...)Show SMILES CNC[C@@H](O)[C@@H](N1CC(C)(C)c2ccccc12)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C20H24F2N2O/c1-20(2)12-24(17-7-5-4-6-16(17)20)19(18(25)11-23-3)13-8-14(21)10-15(22)9-13/h4-10,18-19,23,25H,11-12H2,1-3H3/t18-,19+/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells |
J Med Chem 53: 2051-62 (2010)
Article DOI: 10.1021/jm901559e BindingDB Entry DOI: 10.7270/Q21J99VS |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM11390
(2-(3-Hydroxyphenyl)-3-(4-morpholinylmethyl)-2H-thi...)Show SMILES NS(=O)(=O)c1cc2C=C(CN3CCOCC3)N(c3cccc(O)c3)S(=O)(=O)c2s1 |t:7| Show InChI InChI=1S/C17H19N3O6S3/c18-28(22,23)16-9-12-8-14(11-19-4-6-26-7-5-19)20(29(24,25)17(12)27-16)13-2-1-3-15(21)10-13/h1-3,8-10,21H,4-7,11H2,(H2,18,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Concentration which produces 50% Inhibition of human Carbonic anhydrase IV |
J Med Chem 45: 888-93 (2002)
Article DOI: 10.1021/jm010163d BindingDB Entry DOI: 10.7270/Q2P84FN0 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50307462
((1S,2R)-1-(2,3-Dihydro-1H-indol-1-yl)-1-(3-fluorop...)Show SMILES CNC[C@@H](O)[C@@H](N1CCc2ccccc12)c1cccc(F)c1 |r| Show InChI InChI=1S/C18H21FN2O/c1-20-12-17(22)18(14-6-4-7-15(19)11-14)21-10-9-13-5-2-3-8-16(13)21/h2-8,11,17-18,20,22H,9-10,12H2,1H3/t17-,18+/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells |
J Med Chem 53: 2051-62 (2010)
Article DOI: 10.1021/jm901559e BindingDB Entry DOI: 10.7270/Q21J99VS |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50146026
(CHEMBL3764277)Show SMILES CC(C)[C@H](C)n1cc(-c2cc(C3CCOCC3)n(C)n2)c2[nH]nc(N)c2c1=O |r| Show InChI InChI=1S/C20H28N6O2/c1-11(2)12(3)26-10-14(18-17(20(26)27)19(21)23-22-18)15-9-16(25(4)24-15)13-5-7-28-8-6-13/h9-13H,5-8H2,1-4H3,(H3,21,22,23)/t12-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description Inhibition of JAK3 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min... |
J Med Chem 59: 733-49 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01857 BindingDB Entry DOI: 10.7270/Q2057HSH |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50146031
(CHEMBL3763252)Show SMILES CC(C)C(C)n1cc(-c2ccc(cn2)N2CCOCC2)c2[nH]nc(N)c2c1=O Show InChI InChI=1S/C20H26N6O2/c1-12(2)13(3)26-11-15(18-17(20(26)27)19(21)24-23-18)16-5-4-14(10-22-16)25-6-8-28-9-7-25/h4-5,10-13H,6-9H2,1-3H3,(H3,21,23,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description Inhibition of JAK3 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min... |
J Med Chem 59: 733-49 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01857 BindingDB Entry DOI: 10.7270/Q2057HSH |
More data for this Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50146028
(CHEMBL3764030)Show SMILES CC(C)[C@H](C)n1cc(-c2ccn(C)n2)c2[nH]nc(N)c2c1=O |r| Show InChI InChI=1S/C15H20N6O/c1-8(2)9(3)21-7-10(11-5-6-20(4)19-11)13-12(15(21)22)14(16)18-17-13/h5-9H,1-4H3,(H3,16,17,18)/t9-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description Inhibition of recombinant human TYK2 kinase domain (885-1176 residues) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent sub... |
J Med Chem 59: 733-49 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01857 BindingDB Entry DOI: 10.7270/Q2057HSH |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50307469
((1S,2R)-1-(3-Fluorophenyl)-3-(methylamino)-1-(5-me...)Show SMILES CNC[C@@H](O)[C@@H](N1CCc2cc(C)ccc12)c1cccc(F)c1 |r| Show InChI InChI=1S/C19H23FN2O/c1-13-6-7-17-14(10-13)8-9-22(17)19(18(23)12-21-2)15-4-3-5-16(20)11-15/h3-7,10-11,18-19,21,23H,8-9,12H2,1-2H3/t18-,19+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of serotonin uptake at human SERT expressed in human JAR cells |
J Med Chem 53: 2051-62 (2010)
Article DOI: 10.1021/jm901559e BindingDB Entry DOI: 10.7270/Q21J99VS |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50307460
((1S,2R)-1-(7-Fluoro-3,3-dimethyl-2,3-dihydro-1H-in...)Show SMILES CNC[C@@H](O)[C@@H](N1CC(C)(C)c2cccc(F)c12)c1cccc(F)c1 |r| Show InChI InChI=1S/C20H24F2N2O/c1-20(2)12-24(19-15(20)8-5-9-16(19)22)18(17(25)11-23-3)13-6-4-7-14(21)10-13/h4-10,17-18,23,25H,11-12H2,1-3H3/t17-,18+/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells |
J Med Chem 53: 2051-62 (2010)
Article DOI: 10.1021/jm901559e BindingDB Entry DOI: 10.7270/Q21J99VS |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50307476
((1S,2R)-1-(3,3-Dimethyl-2,3-dihydro-1H-indol-1-yl)...)Show SMILES CNC[C@@H](O)[C@@H](N1CC(C)(C)c2ccccc12)c1ccccc1 |r| Show InChI InChI=1S/C20H26N2O/c1-20(2)14-22(17-12-8-7-11-16(17)20)19(18(23)13-21-3)15-9-5-4-6-10-15/h4-12,18-19,21,23H,13-14H2,1-3H3/t18-,19+/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells |
J Med Chem 53: 2051-62 (2010)
Article DOI: 10.1021/jm901559e BindingDB Entry DOI: 10.7270/Q21J99VS |
More data for this Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM185181
(N-[2-[4-[[5-(dimethylamino)-1-naphthyl]sulfonyl]pi...)Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N1CCN(CC1)C(=O)CNC(=O)C=C Show InChI InChI=1S/C21H26N4O4S/c1-4-20(26)22-15-21(27)24-11-13-25(14-12-24)30(28,29)19-10-6-7-16-17(19)8-5-9-18(16)23(2)3/h4-10H,1,11-15H2,2-3H3,(H,22,26) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF)
Curated by ChEMBL
| Assay Description Inhibition of recombinant human TG2 by fluorescence assay |
J Med Chem 60: 554-567 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01036 BindingDB Entry DOI: 10.7270/Q2F47RKD |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50307464
((1S,2R)-1-(3-Fluorophenyl)-3-(methylamino)-1-(3-me...)Show SMILES CNC[C@@H](O)[C@@H](N1CC(C)c2ccccc12)c1cccc(F)c1 |r| Show InChI InChI=1S/C19H23FN2O/c1-13-12-22(17-9-4-3-8-16(13)17)19(18(23)11-21-2)14-6-5-7-15(20)10-14/h3-10,13,18-19,21,23H,11-12H2,1-2H3/t13?,18-,19+/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells |
J Med Chem 53: 2051-62 (2010)
Article DOI: 10.1021/jm901559e BindingDB Entry DOI: 10.7270/Q21J99VS |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50307457
((1S,2R)-1-(3,3-Dimethyl-2,3-dihydro-1H-indol-1-yl)...)Show SMILES CNC[C@@H](O)[C@@H](N1CC(C)(C)c2ccccc12)c1cccc(F)c1 |r| Show InChI InChI=1S/C20H25FN2O/c1-20(2)13-23(17-10-5-4-9-16(17)20)19(18(24)12-22-3)14-7-6-8-15(21)11-14/h4-11,18-19,22,24H,12-13H2,1-3H3/t18-,19+/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells |
J Med Chem 53: 2051-62 (2010)
Article DOI: 10.1021/jm901559e BindingDB Entry DOI: 10.7270/Q21J99VS |
More data for this Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50146035
(CHEMBL3764637)Show SMILES CC(C)C(C)n1cc(-c2ccn(C)n2)c2[nH]nc(N)c2c1=O Show InChI InChI=1S/C15H20N6O/c1-8(2)9(3)21-7-10(11-5-6-20(4)19-11)13-12(15(21)22)14(16)18-17-13/h5-9H,1-4H3,(H3,16,17,18) | PDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description Inhibition of recombinant human TYK2 kinase domain (885-1176 residues) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent sub... |
J Med Chem 59: 733-49 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01857 BindingDB Entry DOI: 10.7270/Q2057HSH |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50146028
(CHEMBL3764030)Show SMILES CC(C)[C@H](C)n1cc(-c2ccn(C)n2)c2[nH]nc(N)c2c1=O |r| Show InChI InChI=1S/C15H20N6O/c1-8(2)9(3)21-7-10(11-5-6-20(4)19-11)13-12(15(21)22)14(16)18-17-13/h5-9H,1-4H3,(H3,16,17,18)/t9-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description Inhibition of JAK3 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min... |
J Med Chem 59: 733-49 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01857 BindingDB Entry DOI: 10.7270/Q2057HSH |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50307458
((1S,2R)-1-(3,5-Difluorophenyl)-1-(3,3-dimethyl-2,3...)Show SMILES CNC[C@@H](O)[C@@H](N1CC(C)(C)c2ccccc12)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C20H24F2N2O/c1-20(2)12-24(17-7-5-4-6-16(17)20)19(18(25)11-23-3)13-8-14(21)10-15(22)9-13/h4-10,18-19,23,25H,11-12H2,1-3H3/t18-,19+/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells |
J Med Chem 53: 2051-62 (2010)
Article DOI: 10.1021/jm901559e BindingDB Entry DOI: 10.7270/Q21J99VS |
More data for this Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50146071
(CHEMBL3764463)Show SMILES Nc1n[nH]c2c(cn(-c3ccccc3Cl)c(=O)c12)-c1ccccn1 Show InChI InChI=1S/C17H12ClN5O/c18-11-5-1-2-7-13(11)23-9-10(12-6-3-4-8-20-12)15-14(17(23)24)16(19)22-21-15/h1-9H,(H3,19,21,22) | PDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description Inhibition of recombinant human TYK2 kinase domain (885-1176 residues) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent sub... |
J Med Chem 59: 733-49 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01857 BindingDB Entry DOI: 10.7270/Q2057HSH |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50146030
(CHEMBL3763991)Show SMILES CC(C)[C@H](C)n1cc(-c2ccc(cn2)N2CCOCC2)c2[nH]nc(N)c2c1=O |r| Show InChI InChI=1S/C20H26N6O2/c1-12(2)13(3)26-11-15(18-17(20(26)27)19(21)24-23-18)16-5-4-14(10-22-16)25-6-8-28-9-7-25/h4-5,10-13H,6-9H2,1-3H3,(H3,21,23,24)/t13-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description Inhibition of JAK1 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min... |
J Med Chem 59: 733-49 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01857 BindingDB Entry DOI: 10.7270/Q2057HSH |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50300513
((1S,2R)-1-(7-fluoro-1H-indol-1-yl)-1-(3-fluorophen...)Show SMILES CNC[C@@H](O)[C@H](c1cccc(F)c1)n1ccc2cccc(F)c12 |r| Show InChI InChI=1S/C18H18F2N2O/c1-21-11-16(23)18(13-5-2-6-14(19)10-13)22-9-8-12-4-3-7-15(20)17(12)22/h2-10,16,18,21,23H,11H2,1H3/t16-,18+/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human NET expressed in MDCK-Net6 cells |
Bioorg Med Chem Lett 19: 5807-10 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.050 BindingDB Entry DOI: 10.7270/Q2H70FV8 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50146030
(CHEMBL3763991)Show SMILES CC(C)[C@H](C)n1cc(-c2ccc(cn2)N2CCOCC2)c2[nH]nc(N)c2c1=O |r| Show InChI InChI=1S/C20H26N6O2/c1-12(2)13(3)26-11-15(18-17(20(26)27)19(21)24-23-18)16-5-4-14(10-22-16)25-6-8-28-9-7-25/h4-5,10-13H,6-9H2,1-3H3,(H3,21,23,24)/t13-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description Inhibition of JAK2 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min... |
J Med Chem 59: 733-49 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01857 BindingDB Entry DOI: 10.7270/Q2057HSH |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM11391
(2-(3-Methoxyphenyl)-3-[(4-morpholinyl)methyl]-2H-t...)Show SMILES COc1cccc(c1)N1C(CN2CCOCC2)=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O |c:18| Show InChI InChI=1S/C18H21N3O6S3/c1-26-16-4-2-3-14(11-16)21-15(12-20-5-7-27-8-6-20)9-13-10-17(29(19,22)23)28-18(13)30(21,24)25/h2-4,9-11H,5-8,12H2,1H3,(H2,19,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 7.40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Concentration which produces 50% Inhibition of human Carbonic anhydrase IV |
J Med Chem 45: 888-93 (2002)
Article DOI: 10.1021/jm010163d BindingDB Entry DOI: 10.7270/Q2P84FN0 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50307470
((1S,2R)-1-(5-Chloro-2,3-dihydro-1H-indol-1-yl)-1-(...)Show SMILES CNC[C@@H](O)[C@@H](N1CCc2cc(Cl)ccc12)c1cccc(F)c1 |r| Show InChI InChI=1S/C18H20ClFN2O/c1-21-11-17(23)18(13-3-2-4-15(20)10-13)22-8-7-12-9-14(19)5-6-16(12)22/h2-6,9-10,17-18,21,23H,7-8,11H2,1H3/t17-,18+/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells |
J Med Chem 53: 2051-62 (2010)
Article DOI: 10.1021/jm901559e BindingDB Entry DOI: 10.7270/Q21J99VS |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50307465
((1S,2R)-1-(3-Fluorophenyl)-3-(methylamino)-1-[(3S)...)Show SMILES CNC[C@@H](O)[C@@H](N1C[C@@H](C)c2ccccc12)c1cccc(F)c1 |r| Show InChI InChI=1S/C19H23FN2O/c1-13-12-22(17-9-4-3-8-16(13)17)19(18(23)11-21-2)14-6-5-7-15(20)10-14/h3-10,13,18-19,21,23H,11-12H2,1-2H3/t13-,18-,19+/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells |
J Med Chem 53: 2051-62 (2010)
Article DOI: 10.1021/jm901559e BindingDB Entry DOI: 10.7270/Q21J99VS |
More data for this Ligand-Target Pair | |