Found 182 hits with Last Name = 'bouthillette' and Initial = 'm' 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 |
|---|
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50449372
(CHEMBL3126350)Show SMILES NS(=O)(=O)c1cc(Cl)c(Nc2nc3ccncc3c3c2cc[nH]c3=O)c(Cl)c1 Show InChI InChI=1S/C17H11Cl2N5O3S/c18-11-5-8(28(20,26)27)6-12(19)15(11)24-16-9-1-4-22-17(25)14(9)10-7-21-3-2-13(10)23-16/h1-7H,(H,22,25)(H,23,24)(H2,20,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Jak2 (unknown origin) using biotinylated synthetic peptide substrate by homogeneous time resolved fluorescence assay |
Bioorg Med Chem Lett 24: 1466-71 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.011
BindingDB Entry DOI: 10.7270/Q2D22034 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50449373
(CHEMBL3126349)Show SMILES OC(C(F)F)c1cc(Cl)c(Nc2nc3ccncc3c3c2cc[nH]c3=O)c(Cl)c1 Show InChI InChI=1S/C19H12Cl2F2N4O2/c20-11-5-8(16(28)17(22)23)6-12(21)15(11)27-18-9-1-4-25-19(29)14(9)10-7-24-3-2-13(10)26-18/h1-7,16-17,28H,(H,25,29)(H,26,27) | 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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Jak2 (unknown origin) using biotinylated synthetic peptide substrate by homogeneous time resolved fluorescence assay |
Bioorg Med Chem Lett 24: 1466-71 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.011
BindingDB Entry DOI: 10.7270/Q2D22034 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50449375
(CHEMBL3126347)Show SMILES CC(C)(O)c1cc(Cl)c(Nc2nc3ccncc3c3c2cc[nH]c3=O)c(Cl)c1 Show InChI InChI=1S/C20H16Cl2N4O2/c1-20(2,28)10-7-13(21)17(14(22)8-10)26-18-11-3-6-24-19(27)16(11)12-9-23-5-4-15(12)25-18/h3-9,28H,1-2H3,(H,24,27)(H,25,26) | 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 | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Jak2 (unknown origin) using biotinylated synthetic peptide substrate by homogeneous time resolved fluorescence assay |
Bioorg Med Chem Lett 24: 1466-71 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.011
BindingDB Entry DOI: 10.7270/Q2D22034 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50449376
(CHEMBL3126346)Show SMILES CC(O)c1cc(Cl)c(Nc2nc3ccncc3c3c2cc[nH]c3=O)c(Cl)c1 Show InChI InChI=1S/C19H14Cl2N4O2/c1-9(26)10-6-13(20)17(14(21)7-10)25-18-11-2-5-23-19(27)16(11)12-8-22-4-3-15(12)24-18/h2-9,26H,1H3,(H,23,27)(H,24,25) | 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 | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Jak2 (unknown origin) using biotinylated synthetic peptide substrate by homogeneous time resolved fluorescence assay |
Bioorg Med Chem Lett 24: 1466-71 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.011
BindingDB Entry DOI: 10.7270/Q2D22034 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50449381
(CHEMBL3126341)Show SMILES Fc1cc(Cl)c(Nc2nc3ccncc3c3c2cc[nH]c3=O)c(Cl)c1 Show InChI InChI=1S/C17H9Cl2FN4O/c18-11-5-8(20)6-12(19)15(11)24-16-9-1-4-22-17(25)14(9)10-7-21-3-2-13(10)23-16/h1-7H,(H,22,25)(H,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 | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Jak2 (unknown origin) using biotinylated synthetic peptide substrate by homogeneous time resolved fluorescence assay |
Bioorg Med Chem Lett 24: 1466-71 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.011
BindingDB Entry DOI: 10.7270/Q2D22034 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50449383
(CHEMBL3126352)Show SMILES Fc1cc(F)c(Nc2nc3ccncc3c3c2cc[nH]c3=O)c(Cl)c1 Show InChI InChI=1S/C17H9ClF2N4O/c18-11-5-8(19)6-12(20)15(11)24-16-9-1-4-22-17(25)14(9)10-7-21-3-2-13(10)23-16/h1-7H,(H,22,25)(H,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 | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Jak2 (unknown origin) using biotinylated synthetic peptide substrate by homogeneous time resolved fluorescence assay |
Bioorg Med Chem Lett 24: 1466-71 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.011
BindingDB Entry DOI: 10.7270/Q2D22034 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50449378
(CHEMBL3126344)Show SMILES FC(F)(F)c1cc(Cl)c(Nc2nc3ccncc3c3c2cc[nH]c3=O)c(Cl)c1 Show InChI InChI=1S/C18H9Cl2F3N4O/c19-11-5-8(18(21,22)23)6-12(20)15(11)27-16-9-1-4-25-17(28)14(9)10-7-24-3-2-13(10)26-16/h1-7H,(H,25,28)(H,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Jak2 (unknown origin) using biotinylated synthetic peptide substrate by homogeneous time resolved fluorescence assay |
Bioorg Med Chem Lett 24: 1466-71 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.011
BindingDB Entry DOI: 10.7270/Q2D22034 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50449374
(CHEMBL3126348)Show SMILES Clc1cc(cc(Cl)c1Nc1nc2ccncc2c2c1cc[nH]c2=O)-c1cc[nH]n1 Show InChI InChI=1S/C20H12Cl2N6O/c21-13-7-10(15-3-6-25-28-15)8-14(22)18(13)27-19-11-1-5-24-20(29)17(11)12-9-23-4-2-16(12)26-19/h1-9H,(H,24,29)(H,25,28)(H,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Jak2 (unknown origin) using biotinylated synthetic peptide substrate by homogeneous time resolved fluorescence assay |
Bioorg Med Chem Lett 24: 1466-71 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.011
BindingDB Entry DOI: 10.7270/Q2D22034 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50331809
((R)-6-(1,1,1-trifluoro-3-methylbutan-2-ylamino)pyr...)Show SMILES CC(C)[C@@H](Nc1nc2cc[nH]c(=O)c2c2cnccc12)C(F)(F)F |r| Show InChI InChI=1S/C16H15F3N4O/c1-8(2)13(16(17,18)19)23-14-9-3-5-20-7-10(9)12-11(22-14)4-6-21-15(12)24/h3-8,13H,1-2H3,(H,21,24)(H,22,23)/t13-/m1/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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 in cell-free system |
Bioorg Med Chem Lett 20: 7421-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.031
BindingDB Entry DOI: 10.7270/Q2SQ90MG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50331809
((R)-6-(1,1,1-trifluoro-3-methylbutan-2-ylamino)pyr...)Show SMILES CC(C)[C@@H](Nc1nc2cc[nH]c(=O)c2c2cnccc12)C(F)(F)F |r| Show InChI InChI=1S/C16H15F3N4O/c1-8(2)13(16(17,18)19)23-14-9-3-5-20-7-10(9)12-11(22-14)4-6-21-15(12)24/h3-8,13H,1-2H3,(H,21,24)(H,22,23)/t13-/m1/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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Jak2 (unknown origin) using biotinylated synthetic peptide substrate by homogeneous time resolved fluorescence assay |
Bioorg Med Chem Lett 24: 1466-71 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.011
BindingDB Entry DOI: 10.7270/Q2D22034 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50331808
((R)-9-fluoro-6-(1,1,1-trifluoro-3-methylbutan-2-yl...)Show SMILES CC(C)[C@@H](Nc1nc2cc[nH]c(=O)c2c2cc(F)ccc12)C(F)(F)F |r| Show InChI InChI=1S/C17H15F4N3O/c1-8(2)14(17(19,20)21)24-15-10-4-3-9(18)7-11(10)13-12(23-15)5-6-22-16(13)25/h3-8,14H,1-2H3,(H,22,25)(H,23,24)/t14-/m1/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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 in cell-free system |
Bioorg Med Chem Lett 20: 7421-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.031
BindingDB Entry DOI: 10.7270/Q2SQ90MG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50449380
(CHEMBL3126342)Show InChI InChI=1S/C16H9Cl2N5O/c17-10-6-20-7-11(18)14(10)23-15-8-1-4-21-16(24)13(8)9-5-19-3-2-12(9)22-15/h1-7H,(H,21,24)(H,20,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Jak2 (unknown origin) using biotinylated synthetic peptide substrate by homogeneous time resolved fluorescence assay |
Bioorg Med Chem Lett 24: 1466-71 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.011
BindingDB Entry DOI: 10.7270/Q2D22034 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50449379
(CHEMBL3126343)Show SMILES FC(F)(F)Oc1cc(Cl)c(Nc2nc3ccncc3c3c2cc[nH]c3=O)c(Cl)c1 Show InChI InChI=1S/C18H9Cl2F3N4O2/c19-11-5-8(29-18(21,22)23)6-12(20)15(11)27-16-9-1-4-25-17(28)14(9)10-7-24-3-2-13(10)26-16/h1-7H,(H,25,28)(H,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Jak2 (unknown origin) using biotinylated synthetic peptide substrate by homogeneous time resolved fluorescence assay |
Bioorg Med Chem Lett 24: 1466-71 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.011
BindingDB Entry DOI: 10.7270/Q2D22034 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50331824
(6-(2-chloro-4,6-difluorophenylamino)-9-fluorobenzo...)Show SMILES Fc1ccc2c(Nc3c(F)cc(F)cc3Cl)nc3cc[nH]c(=O)c3c2c1 Show InChI InChI=1S/C18H9ClF3N3O/c19-12-6-9(21)7-13(22)16(12)25-17-10-2-1-8(20)5-11(10)15-14(24-17)3-4-23-18(15)26/h1-7H,(H,23,26)(H,24,25) | 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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 in cell-free system |
Bioorg Med Chem Lett 20: 7421-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.031
BindingDB Entry DOI: 10.7270/Q2SQ90MG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50449382
(CHEMBL3126340)Show SMILES Fc1cc(F)c(Nc2nc3ccncc3c3c2cc[nH]c3=O)c(F)c1 Show InChI InChI=1S/C17H9F3N4O/c18-8-5-11(19)15(12(20)6-8)24-16-9-1-4-22-17(25)14(9)10-7-21-3-2-13(10)23-16/h1-7H,(H,22,25)(H,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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Jak2 (unknown origin) using biotinylated synthetic peptide substrate by homogeneous time resolved fluorescence assay |
Bioorg Med Chem Lett 24: 1466-71 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.011
BindingDB Entry DOI: 10.7270/Q2D22034 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50003620
(CHEMBL3234895)Show SMILES CC(C)(O)COCc1cccc(Nc2sc(cc2C(N)=O)-c2c(F)cc(cc2F)C(C)(C)O)n1 Show InChI InChI=1S/C24H27F2N3O4S/c1-23(2,31)12-33-11-14-6-5-7-19(28-14)29-22-15(21(27)30)10-18(34-22)20-16(25)8-13(9-17(20)26)24(3,4)32/h5-10,31-32H,11-12H2,1-4H3,(H2,27,30)(H,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 (unknown origin) |
Bioorg Med Chem Lett 24: 1968-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.064
BindingDB Entry DOI: 10.7270/Q2CF9RM3 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50449377
(CHEMBL3126345)Show SMILES Fc1cccc(c1Nc1nc2ccncc2c2c1cc[nH]c2=O)C(F)(F)F Show InChI InChI=1S/C18H10F4N4O/c19-12-3-1-2-11(18(20,21)22)15(12)26-16-9-4-7-24-17(27)14(9)10-8-23-6-5-13(10)25-16/h1-8H,(H,24,27)(H,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Jak2 (unknown origin) using biotinylated synthetic peptide substrate by homogeneous time resolved fluorescence assay |
Bioorg Med Chem Lett 24: 1466-71 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.011
BindingDB Entry DOI: 10.7270/Q2D22034 |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50498583
(CHEMBL3609639)Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2c(F)c(Br)ccc2N(CC(F)(F)F)C1=O Show InChI InChI=1S/C25H21BrF4N6O2/c1-14-10-34(13-31-14)20-6-3-15(9-22(20)38-2)18-11-36(33-32-18)21-7-4-16-19(8-5-17(26)23(16)27)35(24(21)37)12-25(28,29)30/h3,5-6,8-11,13,21H,4,7,12H2,1-2H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Boston
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase in human SH-SY5Y cells expressing beta-APP C-terminal fragment SPA4CT assessed as decrease of amyloid beta-42 level by ... |
Bioorg Med Chem Lett 25: 3488-94 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.003
BindingDB Entry DOI: 10.7270/Q2MG7SHX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50449384
(CHEMBL3126351)Show SMILES CC(C)[C@H](Nc1nc2ccncc2c2c1cc[nH]c2=O)C(F)(F)F |r| Show InChI InChI=1S/C16H15F3N4O/c1-8(2)13(16(17,18)19)23-14-9-3-6-21-15(24)12(9)10-7-20-5-4-11(10)22-14/h3-8,13H,1-2H3,(H,21,24)(H,22,23)/t13-/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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Jak2 (unknown origin) using biotinylated synthetic peptide substrate by homogeneous time resolved fluorescence assay |
Bioorg Med Chem Lett 24: 1466-71 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.011
BindingDB Entry DOI: 10.7270/Q2D22034 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50449376
(CHEMBL3126346)Show SMILES CC(O)c1cc(Cl)c(Nc2nc3ccncc3c3c2cc[nH]c3=O)c(Cl)c1 Show InChI InChI=1S/C19H14Cl2N4O2/c1-9(26)10-6-13(20)17(14(21)7-10)25-18-11-2-5-23-19(27)16(11)12-8-22-4-3-15(12)24-18/h2-9,26H,1H3,(H,23,27)(H,24,25) | PDB
Reactome pathway
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of Jak2 (unknown origin) assessed as inhibition of STAT5 phosphorylation by cell-based assay |
Bioorg Med Chem Lett 24: 1466-71 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.011
BindingDB Entry DOI: 10.7270/Q2D22034 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50331825
(6-(2,6-dichlorophenylamino)-9-fluorobenzo[c][1,6]n...)Show SMILES Fc1ccc2c(Nc3c(Cl)cccc3Cl)nc3cc[nH]c(=O)c3c2c1 Show InChI InChI=1S/C18H10Cl2FN3O/c19-12-2-1-3-13(20)16(12)24-17-10-5-4-9(21)8-11(10)15-14(23-17)6-7-22-18(15)25/h1-8H,(H,22,25)(H,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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PC sid
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| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 in cell-free system |
Bioorg Med Chem Lett 20: 7421-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.031
BindingDB Entry DOI: 10.7270/Q2SQ90MG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50449381
(CHEMBL3126341)Show SMILES Fc1cc(Cl)c(Nc2nc3ccncc3c3c2cc[nH]c3=O)c(Cl)c1 Show InChI InChI=1S/C17H9Cl2FN4O/c18-11-5-8(20)6-12(19)15(11)24-16-9-1-4-22-17(25)14(9)10-7-21-3-2-13(10)23-16/h1-7H,(H,22,25)(H,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PC sid
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PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of Jak2 (unknown origin) assessed as inhibition of STAT5 phosphorylation by cell-based assay |
Bioorg Med Chem Lett 24: 1466-71 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.011
BindingDB Entry DOI: 10.7270/Q2D22034 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50449383
(CHEMBL3126352)Show SMILES Fc1cc(F)c(Nc2nc3ccncc3c3c2cc[nH]c3=O)c(Cl)c1 Show InChI InChI=1S/C17H9ClF2N4O/c18-11-5-8(19)6-12(20)15(11)24-16-9-1-4-22-17(25)14(9)10-7-21-3-2-13(10)23-16/h1-7H,(H,22,25)(H,23,24) | PDB
Reactome pathway
KEGG
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PC sid
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PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of Jak2 (unknown origin) assessed as inhibition of STAT5 phosphorylation by cell-based assay |
Bioorg Med Chem Lett 24: 1466-71 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.011
BindingDB Entry DOI: 10.7270/Q2D22034 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50003586
(CHEMBL3234884)Show SMILES CS(=O)(=O)c1ccc(Nc2sc(cc2C(N)=O)-c2ccccc2)nc1 Show InChI InChI=1S/C17H15N3O3S2/c1-25(22,23)12-7-8-15(19-10-12)20-17-13(16(18)21)9-14(24-17)11-5-3-2-4-6-11/h2-10H,1H3,(H2,18,21)(H,19,20) | PDB
Reactome pathway
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PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 (unknown origin) |
Bioorg Med Chem Lett 24: 1968-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.064
BindingDB Entry DOI: 10.7270/Q2CF9RM3 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50449375
(CHEMBL3126347)Show SMILES CC(C)(O)c1cc(Cl)c(Nc2nc3ccncc3c3c2cc[nH]c3=O)c(Cl)c1 Show InChI InChI=1S/C20H16Cl2N4O2/c1-20(2,28)10-7-13(21)17(14(22)8-10)26-18-11-3-6-24-19(27)16(11)12-9-23-5-4-15(12)25-18/h3-9,28H,1-2H3,(H,24,27)(H,25,26) | PDB
Reactome pathway
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PC sid
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PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of Jak2 (unknown origin) assessed as inhibition of STAT5 phosphorylation by cell-based assay |
Bioorg Med Chem Lett 24: 1466-71 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.011
BindingDB Entry DOI: 10.7270/Q2D22034 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50003619
(CHEMBL3234873)Show SMILES CC(C)(O)c1ccc(cc1)-c1cc(C(N)=O)c(Nc2cccc(CN3CCOCC3)n2)s1 Show InChI InChI=1S/C24H28N4O3S/c1-24(2,30)17-8-6-16(7-9-17)20-14-19(22(25)29)23(32-20)27-21-5-3-4-18(26-21)15-28-10-12-31-13-11-28/h3-9,14,30H,10-13,15H2,1-2H3,(H2,25,29)(H,26,27) | PDB
Reactome pathway
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PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 (unknown origin) |
Bioorg Med Chem Lett 24: 1968-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.064
BindingDB Entry DOI: 10.7270/Q2CF9RM3 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50449380
(CHEMBL3126342)Show InChI InChI=1S/C16H9Cl2N5O/c17-10-6-20-7-11(18)14(10)23-15-8-1-4-21-16(24)13(8)9-5-19-3-2-12(9)22-15/h1-7H,(H,21,24)(H,20,22,23) | PDB
Reactome pathway
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| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of Jak2 (unknown origin) assessed as inhibition of STAT5 phosphorylation by cell-based assay |
Bioorg Med Chem Lett 24: 1466-71 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.011
BindingDB Entry DOI: 10.7270/Q2D22034 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50449373
(CHEMBL3126349)Show SMILES OC(C(F)F)c1cc(Cl)c(Nc2nc3ccncc3c3c2cc[nH]c3=O)c(Cl)c1 Show InChI InChI=1S/C19H12Cl2F2N4O2/c20-11-5-8(16(28)17(22)23)6-12(21)15(11)27-18-9-1-4-25-19(29)14(9)10-7-24-3-2-13(10)26-18/h1-7,16-17,28H,(H,25,29)(H,26,27) | PDB
Reactome pathway
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PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of Jak2 (unknown origin) assessed as inhibition of STAT5 phosphorylation by cell-based assay |
Bioorg Med Chem Lett 24: 1466-71 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.011
BindingDB Entry DOI: 10.7270/Q2D22034 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50331817
(6-(3,3-dimethylbutan-2-ylamino)-9-fluorobenzo[c][1...)Show SMILES CC(Nc1nc2cc[nH]c(=O)c2c2cc(F)ccc12)C(C)(C)C Show InChI InChI=1S/C18H20FN3O/c1-10(18(2,3)4)21-16-12-6-5-11(19)9-13(12)15-14(22-16)7-8-20-17(15)23/h5-10H,1-4H3,(H,20,23)(H,21,22) | PDB
Reactome pathway
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| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 in cell-free system |
Bioorg Med Chem Lett 20: 7421-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.031
BindingDB Entry DOI: 10.7270/Q2SQ90MG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50331829
((S)-9-fluoro-6-(3-methylbutan-2-ylamino)benzo[c][1...)Show SMILES CC(C)[C@H](C)Nc1nc2cc[nH]c(=O)c2c2cc(F)ccc12 |r| Show InChI InChI=1S/C17H18FN3O/c1-9(2)10(3)20-16-12-5-4-11(18)8-13(12)15-14(21-16)6-7-19-17(15)22/h4-10H,1-3H3,(H,19,22)(H,20,21)/t10-/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 in cell-free system |
Bioorg Med Chem Lett 20: 7421-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.031
BindingDB Entry DOI: 10.7270/Q2SQ90MG |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50498590
(CHEMBL3609637)Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2c(F)cccc2N(CC(F)(F)F)C1=O Show InChI InChI=1S/C25H22F4N6O2/c1-15-11-33(14-30-15)21-8-6-16(10-23(21)37-2)19-12-35(32-31-19)22-9-7-17-18(26)4-3-5-20(17)34(24(22)36)13-25(27,28)29/h3-6,8,10-12,14,22H,7,9,13H2,1-2H3 | PDB
MMDB
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antibodypedia
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MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Boston
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase in human SH-SY5Y cells expressing beta-APP C-terminal fragment SPA4CT assessed as decrease of amyloid beta-42 level by ... |
Bioorg Med Chem Lett 25: 3488-94 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.003
BindingDB Entry DOI: 10.7270/Q2MG7SHX |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50498578
(CHEMBL3609635)Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2c(ccc3ccccc23)N(CC(F)(F)F)C1=O Show InChI InChI=1S/C29H25F3N6O2/c1-18-14-36(17-33-18)25-11-8-20(13-27(25)40-2)23-15-38(35-34-23)26-12-9-22-21-6-4-3-5-19(21)7-10-24(22)37(28(26)39)16-29(30,31)32/h3-8,10-11,13-15,17,26H,9,12,16H2,1-2H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Boston
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase in human SH-SY5Y cells expressing beta-APP C-terminal fragment SPA4CT assessed as decrease of amyloid beta-42 level by ... |
Bioorg Med Chem Lett 25: 3488-94 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.003
BindingDB Entry DOI: 10.7270/Q2MG7SHX |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50498590
(CHEMBL3609637)Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2c(F)cccc2N(CC(F)(F)F)C1=O Show InChI InChI=1S/C25H22F4N6O2/c1-15-11-33(14-30-15)21-8-6-16(10-23(21)37-2)19-12-35(32-31-19)22-9-7-17-18(26)4-3-5-20(17)34(24(22)36)13-25(27,28)29/h3-6,8,10-12,14,22H,7,9,13H2,1-2H3 | PDB
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UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Boston
Curated by ChEMBL
| Assay Description
Inhibition of SERT (unknown origin) |
Bioorg Med Chem Lett 25: 3488-94 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.003
BindingDB Entry DOI: 10.7270/Q2MG7SHX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50003615
(CHEMBL3234874)Show SMILES NC(=O)c1cc(sc1Nc1cccc(CN2CCOCC2)n1)-c1ccccc1F Show InChI InChI=1S/C21H21FN4O2S/c22-17-6-2-1-5-15(17)18-12-16(20(23)27)21(29-18)25-19-7-3-4-14(24-19)13-26-8-10-28-11-9-26/h1-7,12H,8-11,13H2,(H2,23,27)(H,24,25) | PDB
Reactome pathway
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PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 (unknown origin) |
Bioorg Med Chem Lett 24: 1968-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.064
BindingDB Entry DOI: 10.7270/Q2CF9RM3 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50003589
(CHEMBL3233031)Show InChI InChI=1S/C17H14FN3OS/c1-10-5-4-8-15(20-10)21-17-12(16(19)22)9-14(23-17)11-6-2-3-7-13(11)18/h2-9H,1H3,(H2,19,22)(H,20,21) | PDB
Reactome pathway
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 (unknown origin) |
Bioorg Med Chem Lett 24: 1968-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.064
BindingDB Entry DOI: 10.7270/Q2CF9RM3 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50449374
(CHEMBL3126348)Show SMILES Clc1cc(cc(Cl)c1Nc1nc2ccncc2c2c1cc[nH]c2=O)-c1cc[nH]n1 Show InChI InChI=1S/C20H12Cl2N6O/c21-13-7-10(15-3-6-25-28-15)8-14(22)18(13)27-19-11-1-5-24-20(29)17(11)12-9-23-4-2-16(12)26-19/h1-9H,(H,24,29)(H,25,28)(H,26,27) | PDB
Reactome pathway
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of Jak2 (unknown origin) assessed as inhibition of STAT5 phosphorylation by cell-based assay |
Bioorg Med Chem Lett 24: 1466-71 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.011
BindingDB Entry DOI: 10.7270/Q2D22034 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50331809
((R)-6-(1,1,1-trifluoro-3-methylbutan-2-ylamino)pyr...)Show SMILES CC(C)[C@@H](Nc1nc2cc[nH]c(=O)c2c2cnccc12)C(F)(F)F |r| Show InChI InChI=1S/C16H15F3N4O/c1-8(2)13(16(17,18)19)23-14-9-3-5-20-7-10(9)12-11(22-14)4-6-21-15(12)24/h3-8,13H,1-2H3,(H,21,24)(H,22,23)/t13-/m1/s1 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of Jak2 (unknown origin) assessed as inhibition of STAT5 phosphorylation by cell-based assay |
Bioorg Med Chem Lett 24: 1466-71 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.011
BindingDB Entry DOI: 10.7270/Q2D22034 |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50498580
(CHEMBL3609638)Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2c(F)cc(F)cc2N(CC(F)(F)F)C1=O Show InChI InChI=1S/C25H21F5N6O2/c1-14-10-34(13-31-14)20-5-3-15(7-23(20)38-2)19-11-36(33-32-19)21-6-4-17-18(27)8-16(26)9-22(17)35(24(21)37)12-25(28,29)30/h3,5,7-11,13,21H,4,6,12H2,1-2H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
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 |
Merck Research Laboratories Boston
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase in human SH-SY5Y cells expressing beta-APP C-terminal fragment SPA4CT assessed as decrease of amyloid beta-42 level by ... |
Bioorg Med Chem Lett 25: 3488-94 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.003
BindingDB Entry DOI: 10.7270/Q2MG7SHX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50331809
((R)-6-(1,1,1-trifluoro-3-methylbutan-2-ylamino)pyr...)Show SMILES CC(C)[C@@H](Nc1nc2cc[nH]c(=O)c2c2cnccc12)C(F)(F)F |r| Show InChI InChI=1S/C16H15F3N4O/c1-8(2)13(16(17,18)19)23-14-9-3-5-20-7-10(9)12-11(22-14)4-6-21-15(12)24/h3-8,13H,1-2H3,(H,21,24)(H,22,23)/t13-/m1/s1 | PDB
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 expressed in human Du-145 cells |
Bioorg Med Chem Lett 20: 7421-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.031
BindingDB Entry DOI: 10.7270/Q2SQ90MG |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50498582
(CHEMBL3609636)Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2cc(F)ccc2N(CC(F)(F)F)C1=O Show InChI InChI=1S/C25H22F4N6O2/c1-15-11-33(14-30-15)21-6-3-16(10-23(21)37-2)19-12-35(32-31-19)22-7-4-17-9-18(26)5-8-20(17)34(24(22)36)13-25(27,28)29/h3,5-6,8-12,14,22H,4,7,13H2,1-2H3 | PDB
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| Article
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Boston
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase in human SH-SY5Y cells expressing beta-APP C-terminal fragment SPA4CT assessed as decrease of amyloid beta-42 level by ... |
Bioorg Med Chem Lett 25: 3488-94 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.003
BindingDB Entry DOI: 10.7270/Q2MG7SHX |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50498588
(CHEMBL3609633)Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)[C@H]1C[C@H](C)c2ccccc2N(CC(F)(F)F)C1=O |r| Show InChI InChI=1S/C26H25F3N6O2/c1-16-10-23(25(36)34(14-26(27,28)29)21-7-5-4-6-19(16)21)35-13-20(31-32-35)18-8-9-22(24(11-18)37-3)33-12-17(2)30-15-33/h4-9,11-13,15-16,23H,10,14H2,1-3H3/t16-,23-/m0/s1 | PDB
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| PC cid
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UniChem
| Article
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Boston
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase in human SH-SY5Y cells expressing beta-APP C-terminal fragment SPA4CT assessed as decrease of amyloid beta-42 level by ... |
Bioorg Med Chem Lett 25: 3488-94 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.003
BindingDB Entry DOI: 10.7270/Q2MG7SHX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50449378
(CHEMBL3126344)Show SMILES FC(F)(F)c1cc(Cl)c(Nc2nc3ccncc3c3c2cc[nH]c3=O)c(Cl)c1 Show InChI InChI=1S/C18H9Cl2F3N4O/c19-11-5-8(18(21,22)23)6-12(20)15(11)27-16-9-1-4-25-17(28)14(9)10-7-24-3-2-13(10)26-16/h1-7H,(H,25,28)(H,26,27) | PDB
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| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of Jak2 (unknown origin) assessed as inhibition of STAT5 phosphorylation by cell-based assay |
Bioorg Med Chem Lett 24: 1466-71 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.011
BindingDB Entry DOI: 10.7270/Q2D22034 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50331808
((R)-9-fluoro-6-(1,1,1-trifluoro-3-methylbutan-2-yl...)Show SMILES CC(C)[C@@H](Nc1nc2cc[nH]c(=O)c2c2cc(F)ccc12)C(F)(F)F |r| Show InChI InChI=1S/C17H15F4N3O/c1-8(2)14(17(19,20)21)24-15-10-4-3-9(18)7-11(10)13-12(23-15)5-6-22-16(13)25/h3-8,14H,1-2H3,(H,22,25)(H,23,24)/t14-/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 expressed in human Du-145 cells |
Bioorg Med Chem Lett 20: 7421-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.031
BindingDB Entry DOI: 10.7270/Q2SQ90MG |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50498583
(CHEMBL3609639)Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2c(F)c(Br)ccc2N(CC(F)(F)F)C1=O Show InChI InChI=1S/C25H21BrF4N6O2/c1-14-10-34(13-31-14)20-6-3-15(9-22(20)38-2)18-11-36(33-32-18)21-7-4-16-19(8-5-17(26)23(16)27)35(24(21)37)12-25(28,29)30/h3,5-6,8-11,13,21H,4,7,12H2,1-2H3 | PDB
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| PC cid
PC sid
UniChem
| Article
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| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Boston
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase in human SH-SY5Y cells expressing beta-APP C-terminal fragment SPA4CT assessed as decrease of amyloid beta-40 level by ... |
Bioorg Med Chem Lett 25: 3488-94 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.003
BindingDB Entry DOI: 10.7270/Q2MG7SHX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50331821
(6-(2,6-dichlorobenzylamino)-9-fluorobenzo[c][1,6]n...)Show SMILES Fc1ccc2c(NCc3c(Cl)cccc3Cl)nc3cc[nH]c(=O)c3c2c1 Show InChI InChI=1S/C19H12Cl2FN3O/c20-14-2-1-3-15(21)13(14)9-24-18-11-5-4-10(22)8-12(11)17-16(25-18)6-7-23-19(17)26/h1-8H,9H2,(H,23,26)(H,24,25) | PDB
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| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 in cell-free system |
Bioorg Med Chem Lett 20: 7421-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.031
BindingDB Entry DOI: 10.7270/Q2SQ90MG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50331831
((S)-9-fluoro-6-(1,1,1-trifluoro-3-methylbutan-2-yl...)Show SMILES CC(C)[C@H](Nc1nc2cc[nH]c(=O)c2c2cc(F)ccc12)C(F)(F)F |r| Show InChI InChI=1S/C17H15F4N3O/c1-8(2)14(17(19,20)21)24-15-10-4-3-9(18)7-11(10)13-12(23-15)5-6-22-16(13)25/h3-8,14H,1-2H3,(H,22,25)(H,23,24)/t14-/m0/s1 | PDB
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PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 in cell-free system |
Bioorg Med Chem Lett 20: 7421-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.031
BindingDB Entry DOI: 10.7270/Q2SQ90MG |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50498589
(CHEMBL3609634)Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CSc2ccccc2N(CC(F)(F)F)C1=O Show InChI InChI=1S/C24H21F3N6O2S/c1-15-10-31(14-28-15)18-8-7-16(9-21(18)35-2)17-11-33(30-29-17)20-12-36-22-6-4-3-5-19(22)32(23(20)34)13-24(25,26)27/h3-11,14,20H,12-13H2,1-2H3 | PDB
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| PC cid
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| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Boston
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase in human SH-SY5Y cells expressing beta-APP C-terminal fragment SPA4CT assessed as decrease of amyloid beta-42 level by ... |
Bioorg Med Chem Lett 25: 3488-94 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.003
BindingDB Entry DOI: 10.7270/Q2MG7SHX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50375661
(CHEMBL404609)Show InChI InChI=1S/C12H11N3O2S/c13-10(16)8-6-9(7-4-2-1-3-5-7)18-11(8)15-12(14)17/h1-6H,(H2,13,16)(H3,14,15,17) | PDB
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Article
PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 (unknown origin) |
Bioorg Med Chem Lett 24: 1968-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.064
BindingDB Entry DOI: 10.7270/Q2CF9RM3 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50003574
(CHEMBL3234894)Show InChI InChI=1S/C16H13N3OS/c17-15(20)12-10-13(11-6-2-1-3-7-11)21-16(12)19-14-8-4-5-9-18-14/h1-10H,(H2,17,20)(H,18,19) | PDB
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| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 (unknown origin) |
Bioorg Med Chem Lett 24: 1968-73 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.064
BindingDB Entry DOI: 10.7270/Q2CF9RM3 |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50498592
(CHEMBL3609642)Show SMILES [H][C@@]12CCCC[C@@]1([H])N(Cc1ccccc1)C(=O)C(CC2)n1cc(nn1)-c1ccc(c(OC)c1)-n1cnc(C)c1 |r| Show InChI InChI=1S/C30H34N6O2/c1-21-17-34(20-31-21)27-14-13-24(16-29(27)38-2)25-19-36(33-32-25)28-15-12-23-10-6-7-11-26(23)35(30(28)37)18-22-8-4-3-5-9-22/h3-5,8-9,13-14,16-17,19-20,23,26,28H,6-7,10-12,15,18H2,1-2H3/t23-,26+,28?/m0/s1 | PDB
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| PC cid
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UniChem
| Article
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| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Boston
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase in human SH-SY5Y cells expressing beta-APP C-terminal fragment SPA4CT assessed as decrease of amyloid beta-42 level by ... |
Bioorg Med Chem Lett 25: 3488-94 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.003
BindingDB Entry DOI: 10.7270/Q2MG7SHX |
More data for this
Ligand-Target Pair | |
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