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BDBM142621 US8933228, 12

SMILES: COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)n(C(C)C)c23)c2ccccc12)C(C)(C)C

InChI Key: InChIKey=URQAXVPGUSETSW-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 = 142621   
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))
BDBM142621
PNG
(US8933228, 12)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)n(C(C)C)c23)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C34H35N7O4/c1-20(2)40-30-27(17-18-35-31(30)38-33(40)43)45-26-16-15-25(23-9-7-8-10-24(23)26)36-32(42)37-29-19-28(34(3,4)5)39-41(29)21-11-13-22(44-6)14-12-21/h7-20H,1-6H3,(H,35,38,43)(H2,36,37,42)
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US Patent
n/an/a 11n/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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM142621
PNG
(US8933228, 12)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)n(C(C)C)c23)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C34H35N7O4/c1-20(2)40-30-27(17-18-35-31(30)38-33(40)43)45-26-16-15-25(23-9-7-8-10-24(23)26)36-32(42)37-29-19-28(34(3,4)5)39-41(29)21-11-13-22(44-6)14-12-21/h7-20H,1-6H3,(H,35,38,43)(H2,36,37,42)
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US Patent
n/an/a 12n/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))
BDBM142621
PNG
(US8933228, 12)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)n(C(C)C)c23)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C34H35N7O4/c1-20(2)40-30-27(17-18-35-31(30)38-33(40)43)45-26-16-15-25(23-9-7-8-10-24(23)26)36-32(42)37-29-19-28(34(3,4)5)39-41(29)21-11-13-22(44-6)14-12-21/h7-20H,1-6H3,(H,35,38,43)(H2,36,37,42)
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US Patent
n/an/a 8n/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))
BDBM142621
PNG
(US8933228, 12)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)n(C(C)C)c23)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C34H35N7O4/c1-20(2)40-30-27(17-18-35-31(30)38-33(40)43)45-26-16-15-25(23-9-7-8-10-24(23)26)36-32(42)37-29-19-28(34(3,4)5)39-41(29)21-11-13-22(44-6)14-12-21/h7-20H,1-6H3,(H,35,38,43)(H2,36,37,42)
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PC sid
UniChem

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US Patent
n/an/a 495n/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