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BDBM50230315 CHEMBL4096164

SMILES: CSc1nc(NCc2ccccc2)c2ccn(CC(Cl)c3ccccc3)c2n1

InChI Key: InChIKey=PWYVDKFGQPXXFX-UHFFFAOYSA-N

Data: 1 KI  2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50230315   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50230315
PNG
(CHEMBL4096164)
Show SMILES CSc1nc(NCc2ccccc2)c2ccn(CC(Cl)c3ccccc3)c2n1
Show InChI InChI=1S/C22H21ClN4S/c1-28-22-25-20(24-14-16-8-4-2-5-9-16)18-12-13-27(21(18)26-22)15-19(23)17-10-6-3-7-11-17/h2-13,19H,14-15H2,1H3,(H,24,25,26)
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PC cid
PC sid
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Similars

Article
PubMed
6.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His6-tagged Src expressed in Sf21 cells using KVEKIGEGTYGVVYK as substrate after 10 mins in pr...


Eur J Med Chem 127: 369-378 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.036
BindingDB Entry DOI: 10.7270/Q2959KTB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50230315
PNG
(CHEMBL4096164)
Show SMILES CSc1nc(NCc2ccccc2)c2ccn(CC(Cl)c3ccccc3)c2n1
Show InChI InChI=1S/C22H21ClN4S/c1-28-22-25-20(24-14-16-8-4-2-5-9-16)18-12-13-27(21(18)26-22)15-19(23)17-10-6-3-7-11-17/h2-13,19H,14-15H2,1H3,(H,24,25,26)
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PC sid
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Article
PubMed
n/an/a 6.80E+4n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of Flt3 (unknown origin) using KVEKIGEGTYGVVYK as substrate after 10 mins in presence of [gamma-33P]ATP by scintillation counting method


Eur J Med Chem 127: 369-378 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.036
BindingDB Entry DOI: 10.7270/Q2959KTB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50230315
PNG
(CHEMBL4096164)
Show SMILES CSc1nc(NCc2ccccc2)c2ccn(CC(Cl)c3ccccc3)c2n1
Show InChI InChI=1S/C22H21ClN4S/c1-28-22-25-20(24-14-16-8-4-2-5-9-16)18-12-13-27(21(18)26-22)15-19(23)17-10-6-3-7-11-17/h2-13,19H,14-15H2,1H3,(H,24,25,26)
PDB

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antibodypedia
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 8.86E+4n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His6-tagged Fyn expressed in baculovirus infected Sf21 cells using KVEKIGEGTYGVVYK as substrat...


Eur J Med Chem 127: 369-378 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.036
BindingDB Entry DOI: 10.7270/Q2959KTB
More data for this
Ligand-Target Pair