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SMILES: COc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCC(O)CO)c2c1

InChI Key: InChIKey=GIEDBGFYGHINFT-LCLDVOFVSA-N

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 7 hits for monomerid = 50239780   
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
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM50239780
PNG
(CHEMBL4065365)
Show SMILES COc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCC(O)CO)c2c1
Show InChI InChI=1S/C20H19N3O5/c1-27-12-6-7-16-14(8-12)17(20(26)22-16)19-18(23-28-10-11(25)9-24)13-4-2-3-5-15(13)21-19/h2-8,11,21,24-25H,9-10H2,1H3,(H,22,26)/b19-17-,23-18+
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Article
PubMed
n/an/a 43n/an/an/an/an/an/a



University of Kaiserslautern

Curated by ChEMBL


Assay Description
Inhibition of full length human C-terminal His6-tagged CDK2/N-terminal GST-tagged CyclinE expressed in baculovirus infected sf21 cells after 10 mins ...


J Med Chem 60: 4949-4962 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00324
BindingDB Entry DOI: 10.7270/Q2HM5BMK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50239780
PNG
(CHEMBL4065365)
Show SMILES COc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCC(O)CO)c2c1
Show InChI InChI=1S/C20H19N3O5/c1-27-12-6-7-16-14(8-12)17(20(26)22-16)19-18(23-28-10-11(25)9-24)13-4-2-3-5-15(13)21-19/h2-8,11,21,24-25H,9-10H2,1H3,(H,22,26)/b19-17-,23-18+
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n/an/a 11n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50239780
PNG
(CHEMBL4065365)
Show SMILES COc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCC(O)CO)c2c1
Show InChI InChI=1S/C20H19N3O5/c1-27-12-6-7-16-14(8-12)17(20(26)22-16)19-18(23-28-10-11(25)9-24)13-4-2-3-5-15(13)21-19/h2-8,11,21,24-25H,9-10H2,1H3,(H,22,26)/b19-17-,23-18+
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n/an/a 11n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM50239780
PNG
(CHEMBL4065365)
Show SMILES COc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCC(O)CO)c2c1
Show InChI InChI=1S/C20H19N3O5/c1-27-12-6-7-16-14(8-12)17(20(26)22-16)19-18(23-28-10-11(25)9-24)13-4-2-3-5-15(13)21-19/h2-8,11,21,24-25H,9-10H2,1H3,(H,22,26)/b19-17-,23-18+
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n/an/a 11n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50239780
PNG
(CHEMBL4065365)
Show SMILES COc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCC(O)CO)c2c1
Show InChI InChI=1S/C20H19N3O5/c1-27-12-6-7-16-14(8-12)17(20(26)22-16)19-18(23-28-10-11(25)9-24)13-4-2-3-5-15(13)21-19/h2-8,11,21,24-25H,9-10H2,1H3,(H,22,26)/b19-17-,23-18+
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 11n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50239780
PNG
(CHEMBL4065365)
Show SMILES COc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCC(O)CO)c2c1
Show InChI InChI=1S/C20H19N3O5/c1-27-12-6-7-16-14(8-12)17(20(26)22-16)19-18(23-28-10-11(25)9-24)13-4-2-3-5-15(13)21-19/h2-8,11,21,24-25H,9-10H2,1H3,(H,22,26)/b19-17-,23-18+
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Article
PubMed
n/an/a 11n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50239780
PNG
(CHEMBL4065365)
Show SMILES COc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCC(O)CO)c2c1
Show InChI InChI=1S/C20H19N3O5/c1-27-12-6-7-16-14(8-12)17(20(26)22-16)19-18(23-28-10-11(25)9-24)13-4-2-3-5-15(13)21-19/h2-8,11,21,24-25H,9-10H2,1H3,(H,22,26)/b19-17-,23-18+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4
More data for this
Ligand-Target Pair