Found 5 hits for monomerid = 50243905 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50243905
(CHEMBL4087044)Show SMILES COCCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:11.13,9.8,(20.38,-8.92,;19.05,-9.69,;17.72,-8.92,;16.38,-9.69,;15.05,-8.91,;13.71,-9.68,;14.47,-11.01,;12.94,-11.01,;12.38,-8.92,;11.05,-9.7,;9.56,-9.3,;9.17,-10.8,;10.66,-11.18,;7.84,-11.57,;6.5,-10.81,;7.84,-13.11,;6.51,-13.88,;6.51,-15.43,;7.85,-16.2,;9.19,-15.42,;10.66,-15.89,;11.56,-14.63,;10.64,-13.39,;9.18,-13.88,)| Show InChI InChI=1S/C15H23N5O3S/c1-20(15-13-4-5-16-14(13)17-10-18-15)12-8-11(9-12)19-24(21,22)7-3-6-23-2/h4-5,10-12,19H,3,6-9H2,1-2H3,(H,16,17,18)/t11-,12+ | 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 | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human JAK1 using 5'FAM-KKSRGDYMTMQID as substrate in presence of 1 mM ATP by mobility shift assay |
J Med Chem 61: 1130-1152 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01598
BindingDB Entry DOI: 10.7270/Q2D79DTW |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50243905
(CHEMBL4087044)Show SMILES COCCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:11.13,9.8,(20.38,-8.92,;19.05,-9.69,;17.72,-8.92,;16.38,-9.69,;15.05,-8.91,;13.71,-9.68,;14.47,-11.01,;12.94,-11.01,;12.38,-8.92,;11.05,-9.7,;9.56,-9.3,;9.17,-10.8,;10.66,-11.18,;7.84,-11.57,;6.5,-10.81,;7.84,-13.11,;6.51,-13.88,;6.51,-15.43,;7.85,-16.2,;9.19,-15.42,;10.66,-15.89,;11.56,-14.63,;10.64,-13.39,;9.18,-13.88,)| Show InChI InChI=1S/C15H23N5O3S/c1-20(15-13-4-5-16-14(13)17-10-18-15)12-8-11(9-12)19-24(21,22)7-3-6-23-2/h4-5,10-12,19H,3,6-9H2,1-2H3,(H,16,17,18)/t11-,12+ | 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 | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
The ability to inhibit [3H]GR-65630 binding to 5-hydroxytryptamine 3 receptor in rat brain cortices |
J Med Chem 61: 1130-1152 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01598
BindingDB Entry DOI: 10.7270/Q2D79DTW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50243905
(CHEMBL4087044)Show SMILES COCCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:11.13,9.8,(20.38,-8.92,;19.05,-9.69,;17.72,-8.92,;16.38,-9.69,;15.05,-8.91,;13.71,-9.68,;14.47,-11.01,;12.94,-11.01,;12.38,-8.92,;11.05,-9.7,;9.56,-9.3,;9.17,-10.8,;10.66,-11.18,;7.84,-11.57,;6.5,-10.81,;7.84,-13.11,;6.51,-13.88,;6.51,-15.43,;7.85,-16.2,;9.19,-15.42,;10.66,-15.89,;11.56,-14.63,;10.64,-13.39,;9.18,-13.88,)| Show InChI InChI=1S/C15H23N5O3S/c1-20(15-13-4-5-16-14(13)17-10-18-15)12-8-11(9-12)19-24(21,22)7-3-6-23-2/h4-5,10-12,19H,3,6-9H2,1-2H3,(H,16,17,18)/t11-,12+ | 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 | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of cytochrome P450 19A1 |
J Med Chem 61: 1130-1152 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01598
BindingDB Entry DOI: 10.7270/Q2D79DTW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50243905
(CHEMBL4087044)Show SMILES COCCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:11.13,9.8,(20.38,-8.92,;19.05,-9.69,;17.72,-8.92,;16.38,-9.69,;15.05,-8.91,;13.71,-9.68,;14.47,-11.01,;12.94,-11.01,;12.38,-8.92,;11.05,-9.7,;9.56,-9.3,;9.17,-10.8,;10.66,-11.18,;7.84,-11.57,;6.5,-10.81,;7.84,-13.11,;6.51,-13.88,;6.51,-15.43,;7.85,-16.2,;9.19,-15.42,;10.66,-15.89,;11.56,-14.63,;10.64,-13.39,;9.18,-13.88,)| Show InChI InChI=1S/C15H23N5O3S/c1-20(15-13-4-5-16-14(13)17-10-18-15)12-8-11(9-12)19-24(21,22)7-3-6-23-2/h4-5,10-12,19H,3,6-9H2,1-2H3,(H,16,17,18)/t11-,12+ | 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 | >1.53E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Compound was evaluated for the binding affinity to Endothelin B receptor in the rat cerebellum |
J Med Chem 61: 1130-1152 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01598
BindingDB Entry DOI: 10.7270/Q2D79DTW |
More data for this
Ligand-Target Pair | |
JAK1/TYK2
(Homo sapiens (Human)) | BDBM50243905
(CHEMBL4087044)Show SMILES COCCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:11.13,9.8,(20.38,-8.92,;19.05,-9.69,;17.72,-8.92,;16.38,-9.69,;15.05,-8.91,;13.71,-9.68,;14.47,-11.01,;12.94,-11.01,;12.38,-8.92,;11.05,-9.7,;9.56,-9.3,;9.17,-10.8,;10.66,-11.18,;7.84,-11.57,;6.5,-10.81,;7.84,-13.11,;6.51,-13.88,;6.51,-15.43,;7.85,-16.2,;9.19,-15.42,;10.66,-15.89,;11.56,-14.63,;10.64,-13.39,;9.18,-13.88,)| Show InChI InChI=1S/C15H23N5O3S/c1-20(15-13-4-5-16-14(13)17-10-18-15)12-8-11(9-12)19-24(21,22)7-3-6-23-2/h4-5,10-12,19H,3,6-9H2,1-2H3,(H,16,17,18)/t11-,12+ | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 601 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/TYK2 in human whole blood assessed as reduction in IFNalpha induced STAT3 phosphorylation preincubated for 45 mins followed by IFN... |
J Med Chem 61: 1130-1152 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01598
BindingDB Entry DOI: 10.7270/Q2D79DTW |
More data for this
Ligand-Target Pair | |
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