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SMILES: COCCCN(c1cccc2[nH]ncc12)c1nc(Nc2ccc3CNS(=O)(=O)c3c2)ncc1F

InChI Key: InChIKey=ITEPKSLPXLETPN-UHFFFAOYSA-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 15 hits for monomerid = 225520   
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 SYK [355-635]


(Homo sapiens (Human))
BDBM225520
PNG
(GTC000228A | GTC000228B | GTC000228C)
Show SMILES COCCCN(c1cccc2[nH]ncc12)c1nc(Nc2ccc3CNS(=O)(=O)c3c2)ncc1F
Show InChI InChI=1S/C22H22FN7O3S/c1-33-9-3-8-30(19-5-2-4-18-16(19)12-25-29-18)21-17(23)13-24-22(28-21)27-15-7-6-14-11-26-34(31,32)20(14)10-15/h2,4-7,10,12-13,26H,3,8-9,11H2,1H3,(H,25,29)(H,24,27,28)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
D3R
n/an/a 2.45n/an/an/an/an/an/a



D3R



Assay Description
SYK assay_HTRF


D3R 225: (2015)


BindingDB Entry DOI: 10.7270/Q2CV4GM1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK [355-635]


(Homo sapiens (Human))
BDBM225520
PNG
(GTC000228A | GTC000228B | GTC000228C)
Show SMILES COCCCN(c1cccc2[nH]ncc12)c1nc(Nc2ccc3CNS(=O)(=O)c3c2)ncc1F
Show InChI InChI=1S/C22H22FN7O3S/c1-33-9-3-8-30(19-5-2-4-18-16(19)12-25-29-18)21-17(23)13-24-22(28-21)27-15-7-6-14-11-26-34(31,32)20(14)10-15/h2,4-7,10,12-13,26H,3,8-9,11H2,1H3,(H,25,29)(H,24,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
D3R
n/an/a 2.86n/an/an/an/an/an/a



D3R



Assay Description
SYK assay_HTRF


D3R 225: (2015)


BindingDB Entry DOI: 10.7270/Q2CV4GM1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK [355-635]


(Homo sapiens (Human))
BDBM225520
PNG
(GTC000228A | GTC000228B | GTC000228C)
Show SMILES COCCCN(c1cccc2[nH]ncc12)c1nc(Nc2ccc3CNS(=O)(=O)c3c2)ncc1F
Show InChI InChI=1S/C22H22FN7O3S/c1-33-9-3-8-30(19-5-2-4-18-16(19)12-25-29-18)21-17(23)13-24-22(28-21)27-15-7-6-14-11-26-34(31,32)20(14)10-15/h2,4-7,10,12-13,26H,3,8-9,11H2,1H3,(H,25,29)(H,24,27,28)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
D3R
n/an/a 2.07n/an/an/an/an/an/a



D3R



Assay Description
SYK assay_HTRF


D3R 225: (2015)


BindingDB Entry DOI: 10.7270/Q2CV4GM1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK [355-635]


(Homo sapiens (Human))
BDBM225520
PNG
(GTC000228A | GTC000228B | GTC000228C)
Show SMILES COCCCN(c1cccc2[nH]ncc12)c1nc(Nc2ccc3CNS(=O)(=O)c3c2)ncc1F
Show InChI InChI=1S/C22H22FN7O3S/c1-33-9-3-8-30(19-5-2-4-18-16(19)12-25-29-18)21-17(23)13-24-22(28-21)27-15-7-6-14-11-26-34(31,32)20(14)10-15/h2,4-7,10,12-13,26H,3,8-9,11H2,1H3,(H,25,29)(H,24,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
D3R
n/an/a 1.38n/an/an/an/an/an/a



D3R



Assay Description
SYK assay_HTRF


D3R 225: (2015)


BindingDB Entry DOI: 10.7270/Q2CV4GM1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK [355-635]


(Homo sapiens (Human))
BDBM225520
PNG
(GTC000228A | GTC000228B | GTC000228C)
Show SMILES COCCCN(c1cccc2[nH]ncc12)c1nc(Nc2ccc3CNS(=O)(=O)c3c2)ncc1F
Show InChI InChI=1S/C22H22FN7O3S/c1-33-9-3-8-30(19-5-2-4-18-16(19)12-25-29-18)21-17(23)13-24-22(28-21)27-15-7-6-14-11-26-34(31,32)20(14)10-15/h2,4-7,10,12-13,26H,3,8-9,11H2,1H3,(H,25,29)(H,24,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
D3R
n/an/a 3.35n/an/an/an/an/an/a



D3R



Assay Description
SYK assay_HTRF


D3R 225: (2015)


BindingDB Entry DOI: 10.7270/Q2CV4GM1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK [355-635]


(Homo sapiens (Human))
BDBM225520
PNG
(GTC000228A | GTC000228B | GTC000228C)
Show SMILES COCCCN(c1cccc2[nH]ncc12)c1nc(Nc2ccc3CNS(=O)(=O)c3c2)ncc1F
Show InChI InChI=1S/C22H22FN7O3S/c1-33-9-3-8-30(19-5-2-4-18-16(19)12-25-29-18)21-17(23)13-24-22(28-21)27-15-7-6-14-11-26-34(31,32)20(14)10-15/h2,4-7,10,12-13,26H,3,8-9,11H2,1H3,(H,25,29)(H,24,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
D3R
n/an/a 1.47n/an/an/an/an/an/a



D3R



Assay Description
SYK assay_HTRF


D3R 225: (2015)


BindingDB Entry DOI: 10.7270/Q2CV4GM1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK [355-635]


(Homo sapiens (Human))
BDBM225520
PNG
(GTC000228A | GTC000228B | GTC000228C)
Show SMILES COCCCN(c1cccc2[nH]ncc12)c1nc(Nc2ccc3CNS(=O)(=O)c3c2)ncc1F
Show InChI InChI=1S/C22H22FN7O3S/c1-33-9-3-8-30(19-5-2-4-18-16(19)12-25-29-18)21-17(23)13-24-22(28-21)27-15-7-6-14-11-26-34(31,32)20(14)10-15/h2,4-7,10,12-13,26H,3,8-9,11H2,1H3,(H,25,29)(H,24,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
D3R
n/an/a 2.08n/an/an/an/an/an/a



D3R



Assay Description
SYK assay_HTRF


D3R 225: (2015)


BindingDB Entry DOI: 10.7270/Q2CV4GM1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK [355-635]


(Homo sapiens (Human))
BDBM225520
PNG
(GTC000228A | GTC000228B | GTC000228C)
Show SMILES COCCCN(c1cccc2[nH]ncc12)c1nc(Nc2ccc3CNS(=O)(=O)c3c2)ncc1F
Show InChI InChI=1S/C22H22FN7O3S/c1-33-9-3-8-30(19-5-2-4-18-16(19)12-25-29-18)21-17(23)13-24-22(28-21)27-15-7-6-14-11-26-34(31,32)20(14)10-15/h2,4-7,10,12-13,26H,3,8-9,11H2,1H3,(H,25,29)(H,24,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
D3R
n/an/a 7n/an/an/an/an/an/a



D3R



Assay Description
SYK assay_HTRF


D3R 225: (2015)


BindingDB Entry DOI: 10.7270/Q2CV4GM1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK [355-635]


(Homo sapiens (Human))
BDBM225520
PNG
(GTC000228A | GTC000228B | GTC000228C)
Show SMILES COCCCN(c1cccc2[nH]ncc12)c1nc(Nc2ccc3CNS(=O)(=O)c3c2)ncc1F
Show InChI InChI=1S/C22H22FN7O3S/c1-33-9-3-8-30(19-5-2-4-18-16(19)12-25-29-18)21-17(23)13-24-22(28-21)27-15-7-6-14-11-26-34(31,32)20(14)10-15/h2,4-7,10,12-13,26H,3,8-9,11H2,1H3,(H,25,29)(H,24,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
D3R
n/an/a 4.35n/an/an/an/an/an/a



D3R



Assay Description
SYK assay_HTRF


D3R 225: (2015)


BindingDB Entry DOI: 10.7270/Q2CV4GM1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK [355-635]


(Homo sapiens (Human))
BDBM225520
PNG
(GTC000228A | GTC000228B | GTC000228C)
Show SMILES COCCCN(c1cccc2[nH]ncc12)c1nc(Nc2ccc3CNS(=O)(=O)c3c2)ncc1F
Show InChI InChI=1S/C22H22FN7O3S/c1-33-9-3-8-30(19-5-2-4-18-16(19)12-25-29-18)21-17(23)13-24-22(28-21)27-15-7-6-14-11-26-34(31,32)20(14)10-15/h2,4-7,10,12-13,26H,3,8-9,11H2,1H3,(H,25,29)(H,24,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
D3R
n/an/a 2.02n/an/an/an/an/an/a



D3R



Assay Description
SYK assay_HTRF


D3R 225: (2015)


BindingDB Entry DOI: 10.7270/Q2CV4GM1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK [355-635]


(Homo sapiens (Human))
BDBM225520
PNG
(GTC000228A | GTC000228B | GTC000228C)
Show SMILES COCCCN(c1cccc2[nH]ncc12)c1nc(Nc2ccc3CNS(=O)(=O)c3c2)ncc1F
Show InChI InChI=1S/C22H22FN7O3S/c1-33-9-3-8-30(19-5-2-4-18-16(19)12-25-29-18)21-17(23)13-24-22(28-21)27-15-7-6-14-11-26-34(31,32)20(14)10-15/h2,4-7,10,12-13,26H,3,8-9,11H2,1H3,(H,25,29)(H,24,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
D3R
n/an/a 5.36n/an/an/an/an/an/a



D3R



Assay Description
SYK assay_HTRF


D3R 225: (2015)


BindingDB Entry DOI: 10.7270/Q2CV4GM1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK [355-635]


(Homo sapiens (Human))
BDBM225520
PNG
(GTC000228A | GTC000228B | GTC000228C)
Show SMILES COCCCN(c1cccc2[nH]ncc12)c1nc(Nc2ccc3CNS(=O)(=O)c3c2)ncc1F
Show InChI InChI=1S/C22H22FN7O3S/c1-33-9-3-8-30(19-5-2-4-18-16(19)12-25-29-18)21-17(23)13-24-22(28-21)27-15-7-6-14-11-26-34(31,32)20(14)10-15/h2,4-7,10,12-13,26H,3,8-9,11H2,1H3,(H,25,29)(H,24,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
D3R
n/an/a 2n/an/an/an/an/an/a



D3R



Assay Description
SYK assay_HTRF


D3R 225: (2015)


BindingDB Entry DOI: 10.7270/Q2CV4GM1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK [355-635]


(Homo sapiens (Human))
BDBM225520
PNG
(GTC000228A | GTC000228B | GTC000228C)
Show SMILES COCCCN(c1cccc2[nH]ncc12)c1nc(Nc2ccc3CNS(=O)(=O)c3c2)ncc1F
Show InChI InChI=1S/C22H22FN7O3S/c1-33-9-3-8-30(19-5-2-4-18-16(19)12-25-29-18)21-17(23)13-24-22(28-21)27-15-7-6-14-11-26-34(31,32)20(14)10-15/h2,4-7,10,12-13,26H,3,8-9,11H2,1H3,(H,25,29)(H,24,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
D3R
n/an/a 3.66n/an/an/an/an/an/a



D3R



Assay Description
SYK assay_HTRF


D3R 225: (2015)


BindingDB Entry DOI: 10.7270/Q2CV4GM1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK [355-635]


(Homo sapiens (Human))
BDBM225520
PNG
(GTC000228A | GTC000228B | GTC000228C)
Show SMILES COCCCN(c1cccc2[nH]ncc12)c1nc(Nc2ccc3CNS(=O)(=O)c3c2)ncc1F
Show InChI InChI=1S/C22H22FN7O3S/c1-33-9-3-8-30(19-5-2-4-18-16(19)12-25-29-18)21-17(23)13-24-22(28-21)27-15-7-6-14-11-26-34(31,32)20(14)10-15/h2,4-7,10,12-13,26H,3,8-9,11H2,1H3,(H,25,29)(H,24,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
D3R
n/an/a 2.13n/an/an/an/an/an/a



D3R



Assay Description
SYK assay_HTRF


D3R 225: (2015)


BindingDB Entry DOI: 10.7270/Q2CV4GM1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK [355-635]


(Homo sapiens (Human))
BDBM225520
PNG
(GTC000228A | GTC000228B | GTC000228C)
Show SMILES COCCCN(c1cccc2[nH]ncc12)c1nc(Nc2ccc3CNS(=O)(=O)c3c2)ncc1F
Show InChI InChI=1S/C22H22FN7O3S/c1-33-9-3-8-30(19-5-2-4-18-16(19)12-25-29-18)21-17(23)13-24-22(28-21)27-15-7-6-14-11-26-34(31,32)20(14)10-15/h2,4-7,10,12-13,26H,3,8-9,11H2,1H3,(H,25,29)(H,24,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
D3R
n/an/a 1.10n/an/an/an/an/an/a



D3R



Assay Description
SYK assay_HTRF


D3R 225: (2015)


BindingDB Entry DOI: 10.7270/Q2CV4GM1
More data for this
Ligand-Target Pair