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BDBM142617 US8933228, 33

SMILES: CSc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)cnc23)c2ccccc12)C(C)(C)C

InChI Key: InChIKey=BBDYTNGLQLQTOV-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 142617   
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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM142617
PNG
(US8933228, 33)
Show SMILES CSc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)cnc23)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H29N7O3S/c1-32(2,3)26-17-27(39(38-26)19-9-11-20(43-4)12-10-19)36-31(41)35-23-13-14-24(22-8-6-5-7-21(22)23)42-25-15-16-33-30-29(25)34-18-28(40)37-30/h5-18H,1-4H3,(H,33,37,40)(H2,35,36,41)
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US Patent
n/an/a 5n/an/an/an/an/an/a



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Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM142617
PNG
(US8933228, 33)
Show SMILES CSc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)cnc23)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H29N7O3S/c1-32(2,3)26-17-27(39(38-26)19-9-11-20(43-4)12-10-19)36-31(41)35-23-13-14-24(22-8-6-5-7-21(22)23)42-25-15-16-33-30-29(25)34-18-28(40)37-30/h5-18H,1-4H3,(H,33,37,40)(H2,35,36,41)
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US Patent
n/an/a 7n/an/an/an/an/an/a



Respivert, Ltd.

US Patent


Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM142617
PNG
(US8933228, 33)
Show SMILES CSc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)cnc23)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H29N7O3S/c1-32(2,3)26-17-27(39(38-26)19-9-11-20(43-4)12-10-19)36-31(41)35-23-13-14-24(22-8-6-5-7-21(22)23)42-25-15-16-33-30-29(25)34-18-28(40)37-30/h5-18H,1-4H3,(H,33,37,40)(H2,35,36,41)
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US Patent
n/an/a 4n/an/an/an/an/an/a



Respivert, Ltd.

US Patent


Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM142617
PNG
(US8933228, 33)
Show SMILES CSc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)cnc23)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H29N7O3S/c1-32(2,3)26-17-27(39(38-26)19-9-11-20(43-4)12-10-19)36-31(41)35-23-13-14-24(22-8-6-5-7-21(22)23)42-25-15-16-33-30-29(25)34-18-28(40)37-30/h5-18H,1-4H3,(H,33,37,40)(H2,35,36,41)
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US Patent
n/an/a 74n/an/an/an/an/an/a



Respivert, Ltd.

US Patent


Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair