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BDBM50075735 CHEMBL3415583

SMILES: Cc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)c1

InChI Key: InChIKey=GZXRFDYECYFNCR-LSDHHAIUSA-N

Data: 6 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 6 hits for monomerid = 50075735   
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


(Homo sapiens (Human))
BDBM50075735
PNG
(CHEMBL3415583)
Show SMILES Cc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)c1 |r|
Show InChI InChI=1S/C19H26N6O/c1-11-7-12(2)23-17(8-11)25-16-9-13(10-22-18(16)19(21)26)24-15-6-4-3-5-14(15)20/h7-10,14-15,24H,3-6,20H2,1-2H3,(H2,21,26)(H,23,25)/t14-,15+/m0/s1
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Article
PubMed
n/an/a 0.0600n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed by peptide substrate/ATP addition measured after 45 mins by TR-FRET ...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50075735
PNG
(CHEMBL3415583)
Show SMILES Cc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)c1 |r|
Show InChI InChI=1S/C19H26N6O/c1-11-7-12(2)23-17(8-11)25-16-9-13(10-22-18(16)19(21)26)24-15-6-4-3-5-14(15)20/h7-10,14-15,24H,3-6,20H2,1-2H3,(H2,21,26)(H,23,25)/t14-,15+/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of ERG channel expressed in human embryonic kidney cells assessed as tail current amplitude measured for 3 to 30 mins by PatchXpress elect...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50075735
PNG
(CHEMBL3415583)
Show SMILES Cc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)c1 |r|
Show InChI InChI=1S/C19H26N6O/c1-11-7-12(2)23-17(8-11)25-16-9-13(10-22-18(16)19(21)26)24-15-6-4-3-5-14(15)20/h7-10,14-15,24H,3-6,20H2,1-2H3,(H2,21,26)(H,23,25)/t14-,15+/m0/s1
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Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human SYK (1 to 635 end residues) expressed in baculovirus expression system preincubated for 10 mins followed b...


ACS Med Chem Lett 7: 1151-1155 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00353
BindingDB Entry DOI: 10.7270/Q2FB54XR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50075735
PNG
(CHEMBL3415583)
Show SMILES Cc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)c1 |r|
Show InChI InChI=1S/C19H26N6O/c1-11-7-12(2)23-17(8-11)25-16-9-13(10-22-18(16)19(21)26)24-15-6-4-3-5-14(15)20/h7-10,14-15,24H,3-6,20H2,1-2H3,(H2,21,26)(H,23,25)/t14-,15+/m0/s1
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n/an/a 5.30n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused Zap70 (unknown origin) expressed in insect SF9 cells using biotin-EQEDEPEGDYFEWLE-CONH2 as substrate preincubated for 10 mins...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50075735
PNG
(CHEMBL3415583)
Show SMILES Cc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)c1 |r|
Show InChI InChI=1S/C19H26N6O/c1-11-7-12(2)23-17(8-11)25-16-9-13(10-22-18(16)19(21)26)24-15-6-4-3-5-14(15)20/h7-10,14-15,24H,3-6,20H2,1-2H3,(H2,21,26)(H,23,25)/t14-,15+/m0/s1
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Article
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n/an/a 5.30n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of LCK activated GST-fused ZAP70 (unknown origin) expressed in fall armyworm sf9 cells preincubated for 10 mins followed by biotin-EQEDEPE...


ACS Med Chem Lett 7: 1151-1155 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00353
BindingDB Entry DOI: 10.7270/Q2FB54XR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50075735
PNG
(CHEMBL3415583)
Show SMILES Cc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)c1 |r|
Show InChI InChI=1S/C19H26N6O/c1-11-7-12(2)23-17(8-11)25-16-9-13(10-22-18(16)19(21)26)24-15-6-4-3-5-14(15)20/h7-10,14-15,24H,3-6,20H2,1-2H3,(H2,21,26)(H,23,25)/t14-,15+/m0/s1
PDB
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KEGG

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 58n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of Syk in anti-IgE-activated human basophils assessed as CysLT release in whole blood preincubated with IL-3 primed blood for 30 mins


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair