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BDBM50393741 CHEMBL2159215

SMILES: Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](O)C1

InChI Key: InChIKey=YGCGXSAHRCHNJB-VHSXEESVSA-N

Data: 2 KI  2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50393741   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50393741
PNG
(CHEMBL2159215)
Show SMILES Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](O)C1 |r|
Show InChI InChI=1S/C14H16N4O/c1-8-17-12-7-16-14-11(4-5-15-14)13(12)18(8)9-2-3-10(19)6-9/h4-5,7,9-10,19H,2-3,6H2,1H3,(H,15,16)/t9-,10+/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
5.40n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...


J Med Chem 55: 6176-93 (2012)


Article DOI: 10.1021/jm300628c
BindingDB Entry DOI: 10.7270/Q25Q4X6S
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50393741
PNG
(CHEMBL2159215)
Show SMILES Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](O)C1 |r|
Show InChI InChI=1S/C14H16N4O/c1-8-17-12-7-16-14-11(4-5-15-14)13(12)18(8)9-2-3-10(19)6-9/h4-5,7,9-10,19H,2-3,6H2,1H3,(H,15,16)/t9-,10+/m0/s1
PDB

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antibodypedia
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PC sid
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Article
PubMed
28n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...


J Med Chem 55: 6176-93 (2012)


Article DOI: 10.1021/jm300628c
BindingDB Entry DOI: 10.7270/Q25Q4X6S
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50393741
PNG
(CHEMBL2159215)
Show SMILES Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](O)C1 |r|
Show InChI InChI=1S/C14H16N4O/c1-8-17-12-7-16-14-11(4-5-15-14)13(12)18(8)9-2-3-10(19)6-9/h4-5,7,9-10,19H,2-3,6H2,1H3,(H,15,16)/t9-,10+/m0/s1
PDB

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PC cid
PC sid
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Article
PubMed
n/an/an/an/a 800n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human TF1 cells assessed as inhibition of EPO-induced STAT5 phosphorylation incubated for 20 mins prior to EPO-induction measur...


J Med Chem 55: 6176-93 (2012)


Article DOI: 10.1021/jm300628c
BindingDB Entry DOI: 10.7270/Q25Q4X6S
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50393741
PNG
(CHEMBL2159215)
Show SMILES Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](O)C1 |r|
Show InChI InChI=1S/C14H16N4O/c1-8-17-12-7-16-14-11(4-5-15-14)13(12)18(8)9-2-3-10(19)6-9/h4-5,7,9-10,19H,2-3,6H2,1H3,(H,15,16)/t9-,10+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 190n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins prior to IL6-induction measur...


J Med Chem 55: 6176-93 (2012)


Article DOI: 10.1021/jm300628c
BindingDB Entry DOI: 10.7270/Q25Q4X6S
More data for this
Ligand-Target Pair