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Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 1514   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM328995
PNG
(1137478-47-7 | US9663503, Compound Y-154)
Show SMILES COCC#Cc1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r|
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n/an/a 1n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent




US Patent US9663503 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W7G
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM328993
PNG
(5-[[4-[[(2R)-morpholin-2-yl]methylamino]-5-(triflu...)
Show SMILES FC(F)(F)c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r|
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Cancer Research Technology Limited

US Patent




US Patent US9663503 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W7G
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM328996
PNG
(1137477-07-6 | US9663503, Compound Y-081)
Show SMILES COC(=O)c1cnc(Nc2cnc(cn2)C#N)cc1NCC1CNCCO1
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Cancer Research Technology Limited

US Patent




US Patent US9663503 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W7G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM328997
PNG
(1137478-45-5 | US9663503, Compound Y-152)
Show SMILES Cn1cc(cn1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r|
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US Patent US9663503 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W7G
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM328998
PNG
(1137478-52-4 | US9663503, Compound Y-158)
Show SMILES CC(C)(O)C#Cc1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r|
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US Patent US9663503 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W7G
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM328994
PNG
(5-[[4-[[(2S)-morpholin-2-yl]methylamino]-5-(triflu...)
Show SMILES FC(F)(F)c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r|
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US Patent US9663503 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W7G
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM328999
PNG
(1137478-38-6 | US9663503, Compound Y-147)
Show SMILES COc1ccc(cc1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r|
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US Patent US9663503 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W7G
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM329000
PNG
(1137478-46-6 | US9663503, Compound Y-153)
Show SMILES CC(C)(O)C#Cc1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r|
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US Patent US9663503 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W7G
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM329001
PNG
(1137478-48-8 | US9663503, Compound Y-155)
Show SMILES COC(C)(C)C#Cc1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r|
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US Patent US9663503 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W7G
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM329002
PNG
(1137478-40-0 | US9663503, Compound Y-149)
Show SMILES COCCOc1ccc(cc1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r|
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US Patent US9663503 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W7G
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM329003
PNG
(1137478-50-2 | US9663503, Compound Y-156)
Show SMILES COCc1ccc(cc1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r|
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US Patent US9663503 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W7G
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM329004
PNG
(1168103-91-0 | US9663503, Compound Y-146)
Show SMILES COc1ccc(cc1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r|
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US Patent US9663503 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W7G
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM329005
PNG
(1137478-39-7 | US9663503, Compound Y-148)
Show SMILES COCc1ccc(cc1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r|
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US Patent US9663503 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W7G
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM329006
PNG
(1137478-51-3 | US9663503, Compound Y-157)
Show SMILES COCCOc1ccc(cc1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r|
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US Patent US9663503 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W7G
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM329007
PNG
(1137478-41-1 | US9663503, Compound Y-150)
Show SMILES Fc1cccc(c1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r|
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US Patent US9663503 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W7G
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM329008
PNG
(1137477-35-0 | US9663503, Compound Y-102)
Show SMILES O=C(Nc1ccccc1)c1cnc(Nc2cnc(cn2)C#N)cc1NCC1CNCCO1
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US Patent US9663503 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W7G
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM329009
PNG
(1137478-54-6 | US9663503, Compound Y-159)
Show SMILES COCCCc1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r|
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US Patent US9663503 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W7G
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM329010
PNG
(1137478-44-4 | US9663503, Compound Y-151)
Show SMILES Fc1ccc(cc1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r|
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US Patent US9663503 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W7G
More data for this
Ligand-Target Pair