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SMILES: COCCCN(c1ccnc(Nc2ccc3CNS(=O)(=O)c3c2)n1)c1cccc2[nH]ncc12

InChI Key: InChIKey=TZFNCFXRZFIFEV-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 4 hits for monomerid = 225530   
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))
BDBM225530
PNG
(GTC000236A)
Show SMILES COCCCN(c1ccnc(Nc2ccc3CNS(=O)(=O)c3c2)n1)c1cccc2[nH]ncc12
Show InChI InChI=1S/C22H23N7O3S/c1-32-11-3-10-29(19-5-2-4-18-17(19)14-24-28-18)21-8-9-23-22(27-21)26-16-7-6-15-13-25-33(30,31)20(15)12-16/h2,4-9,12,14,25H,3,10-11,13H2,1H3,(H,24,28)(H,23,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
D3R
n/an/a 2.69n/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))
BDBM225530
PNG
(GTC000236A)
Show SMILES COCCCN(c1ccnc(Nc2ccc3CNS(=O)(=O)c3c2)n1)c1cccc2[nH]ncc12
Show InChI InChI=1S/C22H23N7O3S/c1-32-11-3-10-29(19-5-2-4-18-17(19)14-24-28-18)21-8-9-23-22(27-21)26-16-7-6-15-13-25-33(30,31)20(15)12-16/h2,4-9,12,14,25H,3,10-11,13H2,1H3,(H,24,28)(H,23,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
D3R
n/an/a 4.34n/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))
BDBM225530
PNG
(GTC000236A)
Show SMILES COCCCN(c1ccnc(Nc2ccc3CNS(=O)(=O)c3c2)n1)c1cccc2[nH]ncc12
Show InChI InChI=1S/C22H23N7O3S/c1-32-11-3-10-29(19-5-2-4-18-17(19)14-24-28-18)21-8-9-23-22(27-21)26-16-7-6-15-13-25-33(30,31)20(15)12-16/h2,4-9,12,14,25H,3,10-11,13H2,1H3,(H,24,28)(H,23,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
D3R
n/an/a 4.88n/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))
BDBM225530
PNG
(GTC000236A)
Show SMILES COCCCN(c1ccnc(Nc2ccc3CNS(=O)(=O)c3c2)n1)c1cccc2[nH]ncc12
Show InChI InChI=1S/C22H23N7O3S/c1-32-11-3-10-29(19-5-2-4-18-17(19)14-24-28-18)21-8-9-23-22(27-21)26-16-7-6-15-13-25-33(30,31)20(15)12-16/h2,4-9,12,14,25H,3,10-11,13H2,1H3,(H,24,28)(H,23,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
D3R
n/an/a 1.48n/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