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BDBM50449314 CHEMBL3125862

SMILES: O=c1[nH]c(CSc2nnc(NCC3CCCO3)s2)nc2sc(cc12)-c1ccccc1

InChI Key: InChIKey=KBNGOEJXKREKIB-UHFFFAOYSA-N

Data: 5 IC50

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 5 hits for monomerid = 50449314   
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 JAK2


(Homo sapiens (Human))
BDBM50449314
PNG
(CHEMBL3125862)
Show SMILES O=c1[nH]c(CSc2nnc(NCC3CCCO3)s2)nc2sc(cc12)-c1ccccc1
Show InChI InChI=1S/C20H19N5O2S3/c26-17-14-9-15(12-5-2-1-3-6-12)29-18(14)23-16(22-17)11-28-20-25-24-19(30-20)21-10-13-7-4-8-27-13/h1-3,5-6,9,13H,4,7-8,10-11H2,(H,21,24)(H,22,23,26)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.90E+3n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 24: 1523-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.083
BindingDB Entry DOI: 10.7270/Q2X068JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50449314
PNG
(CHEMBL3125862)
Show SMILES O=c1[nH]c(CSc2nnc(NCC3CCCO3)s2)nc2sc(cc12)-c1ccccc1
Show InChI InChI=1S/C20H19N5O2S3/c26-17-14-9-15(12-5-2-1-3-6-12)29-18(14)23-16(22-17)11-28-20-25-24-19(30-20)21-10-13-7-4-8-27-13/h1-3,5-6,9,13H,4,7-8,10-11H2,(H,21,24)(H,22,23,26)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.60E+3n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 24: 1523-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.083
BindingDB Entry DOI: 10.7270/Q2X068JR
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50449314
PNG
(CHEMBL3125862)
Show SMILES O=c1[nH]c(CSc2nnc(NCC3CCCO3)s2)nc2sc(cc12)-c1ccccc1
Show InChI InChI=1S/C20H19N5O2S3/c26-17-14-9-15(12-5-2-1-3-6-12)29-18(14)23-16(22-17)11-28-20-25-24-19(30-20)21-10-13-7-4-8-27-13/h1-3,5-6,9,13H,4,7-8,10-11H2,(H,21,24)(H,22,23,26)
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PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) by radiometric assay


Bioorg Med Chem Lett 24: 1523-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.083
BindingDB Entry DOI: 10.7270/Q2X068JR
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50449314
PNG
(CHEMBL3125862)
Show SMILES O=c1[nH]c(CSc2nnc(NCC3CCCO3)s2)nc2sc(cc12)-c1ccccc1
Show InChI InChI=1S/C20H19N5O2S3/c26-17-14-9-15(12-5-2-1-3-6-12)29-18(14)23-16(22-17)11-28-20-25-24-19(30-20)21-10-13-7-4-8-27-13/h1-3,5-6,9,13H,4,7-8,10-11H2,(H,21,24)(H,22,23,26)
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UniChem
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) by radiometric assay


Bioorg Med Chem Lett 24: 1523-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.083
BindingDB Entry DOI: 10.7270/Q2X068JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50449314
PNG
(CHEMBL3125862)
Show SMILES O=c1[nH]c(CSc2nnc(NCC3CCCO3)s2)nc2sc(cc12)-c1ccccc1
Show InChI InChI=1S/C20H19N5O2S3/c26-17-14-9-15(12-5-2-1-3-6-12)29-18(14)23-16(22-17)11-28-20-25-24-19(30-20)21-10-13-7-4-8-27-13/h1-3,5-6,9,13H,4,7-8,10-11H2,(H,21,24)(H,22,23,26)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.26E+4n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of Syk (unknown origin) by radiometric assay


Bioorg Med Chem Lett 24: 1523-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.083
BindingDB Entry DOI: 10.7270/Q2X068JR
More data for this
Ligand-Target Pair