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10 molecules are shown

Wt: 362.4
BDBM50389803
Purchase
Wt: 369.4
BDBM50389804
Wt: 369.4
BDBM50389806
Wt: 413.3
BDBM50389808
Wt: 380.4
BDBM50389810
Wt: 380.4
BDBM50389812
Wt: 380.4
BDBM50389813
Wt: 378.8
BDBM50389815
Wt: 362.4
BDBM50389817
Wt: 344.4
BDBM50389822

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 34 hits for monomerid = 50389803,50389804,50389806,50389808,50389810,50389812,50389813,50389815,50389817,50389822   
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
IRE1α


(Homo sapiens (Human))
BDBM50389803
PNG
(AZD7762 | CHEMBL2041933)
Show SMILES NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1cccc(F)c1
Show InChI InChI=1S/C17H19FN4O2S/c18-11-4-1-3-10(7-11)14-8-13(22-17(19)24)15(25-14)16(23)21-12-5-2-6-20-9-12/h1,3-4,7-8,12,20H,2,5-6,9H2,(H,21,23)(H3,19,22,24)/t12-/m0/s1
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n/an/a 650n/an/an/an/a7.5n/a



University of Washington



Assay Description
Inhibitors (initial concentration 10 or 60 μM, three-fold serial dilutions) were incubated with IRE1α* in cleavage buffer (20 mM HEPES at p...


ACS Chem Biol 11: 2195-205 (2016)


Article DOI: 10.1021/acschembio.5b00940
BindingDB Entry DOI: 10.7270/Q2ZK5FGQ
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50389803
PNG
(AZD7762 | CHEMBL2041933)
Show SMILES NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1cccc(F)c1
Show InChI InChI=1S/C17H19FN4O2S/c18-11-4-1-3-10(7-11)14-8-13(22-17(19)24)15(25-14)16(23)21-12-5-2-6-20-9-12/h1,3-4,7-8,12,20H,2,5-6,9H2,(H,21,23)(H3,19,22,24)/t12-/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 55: 5130-42 (2012)


Article DOI: 10.1021/jm300025r
BindingDB Entry DOI: 10.7270/Q2RV0PR6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50389808
PNG
(CHEMBL2070712)
Show SMILES NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H18Cl2N4O2S/c18-11-4-3-9(6-12(11)19)14-7-13(23-17(20)25)15(26-14)16(24)22-10-2-1-5-21-8-10/h3-4,6-7,10,21H,1-2,5,8H2,(H,22,24)(H3,20,23,25)/t10-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CHK1 expressed in insect cells using biotinylaminohexanoyl-KKVSRSGLYRSPMPENLNRPR as substrate after 2 hrs by scintill...


J Med Chem 55: 5130-42 (2012)


Article DOI: 10.1021/jm300025r
BindingDB Entry DOI: 10.7270/Q2RV0PR6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50389803
PNG
(AZD7762 | CHEMBL2041933)
Show SMILES NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1cccc(F)c1
Show InChI InChI=1S/C17H19FN4O2S/c18-11-4-1-3-10(7-11)14-8-13(22-17(19)24)15(25-14)16(23)21-12-5-2-6-20-9-12/h1,3-4,7-8,12,20H,2,5-6,9H2,(H,21,23)(H3,19,22,24)/t12-/m0/s1
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n/an/an/an/a 280n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CHK1 in human HT29 cells assessed as check point abrogation


J Med Chem 55: 5130-42 (2012)


Article DOI: 10.1021/jm300025r
BindingDB Entry DOI: 10.7270/Q2RV0PR6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50389812
PNG
(CHEMBL2070708)
Show SMILES NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1cccc(F)c1F
Show InChI InChI=1S/C17H18F2N4O2S/c18-11-5-1-4-10(14(11)19)13-7-12(23-17(20)25)15(26-13)16(24)22-9-3-2-6-21-8-9/h1,4-5,7,9,21H,2-3,6,8H2,(H,22,24)(H3,20,23,25)/t9-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CHK1 expressed in insect cells using biotinylaminohexanoyl-KKVSRSGLYRSPMPENLNRPR as substrate after 2 hrs by scintill...


J Med Chem 55: 5130-42 (2012)


Article DOI: 10.1021/jm300025r
BindingDB Entry DOI: 10.7270/Q2RV0PR6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50389813
PNG
(CHEMBL2070706)
Show SMILES NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1cc(F)cc(F)c1
Show InChI InChI=1S/C17H18F2N4O2S/c18-10-4-9(5-11(19)6-10)14-7-13(23-17(20)25)15(26-14)16(24)22-12-2-1-3-21-8-12/h4-7,12,21H,1-3,8H2,(H,22,24)(H3,20,23,25)/t12-/m0/s1
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n/an/an/an/a 2.50E+3n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CHK1 in human HT29 cells assessed as check point abrogation


J Med Chem 55: 5130-42 (2012)


Article DOI: 10.1021/jm300025r
BindingDB Entry DOI: 10.7270/Q2RV0PR6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50389806
PNG
(CHEMBL2070714)
Show SMILES NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C18H19N5O2S/c19-9-11-3-5-12(6-4-11)15-8-14(23-18(20)25)16(26-15)17(24)22-13-2-1-7-21-10-13/h3-6,8,13,21H,1-2,7,10H2,(H,22,24)(H3,20,23,25)/t13-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CHK1 expressed in insect cells using biotinylaminohexanoyl-KKVSRSGLYRSPMPENLNRPR as substrate after 2 hrs by scintill...


J Med Chem 55: 5130-42 (2012)


Article DOI: 10.1021/jm300025r
BindingDB Entry DOI: 10.7270/Q2RV0PR6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50389815
PNG
(CHEMBL2070704)
Show SMILES NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1cccc(Cl)c1
Show InChI InChI=1S/C17H19ClN4O2S/c18-11-4-1-3-10(7-11)14-8-13(22-17(19)24)15(25-14)16(23)21-12-5-2-6-20-9-12/h1,3-4,7-8,12,20H,2,5-6,9H2,(H,21,23)(H3,19,22,24)/t12-/m0/s1
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n/an/an/an/a 700n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CHK1 in human HT29 cells assessed as check point abrogation


J Med Chem 55: 5130-42 (2012)


Article DOI: 10.1021/jm300025r
BindingDB Entry DOI: 10.7270/Q2RV0PR6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50389804
PNG
(CHEMBL2070716)
Show SMILES NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1cccc(c1)C#N
Show InChI InChI=1S/C18H19N5O2S/c19-9-11-3-1-4-12(7-11)15-8-14(23-18(20)25)16(26-15)17(24)22-13-5-2-6-21-10-13/h1,3-4,7-8,13,21H,2,5-6,10H2,(H,22,24)(H3,20,23,25)/t13-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CHK1 expressed in insect cells using biotinylaminohexanoyl-KKVSRSGLYRSPMPENLNRPR as substrate after 2 hrs by scintill...


J Med Chem 55: 5130-42 (2012)


Article DOI: 10.1021/jm300025r
BindingDB Entry DOI: 10.7270/Q2RV0PR6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50389817
PNG
(CHEMBL2070702)
Show SMILES NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H19FN4O2S/c18-11-5-3-10(4-6-11)14-8-13(22-17(19)24)15(25-14)16(23)21-12-2-1-7-20-9-12/h3-6,8,12,20H,1-2,7,9H2,(H,21,23)(H3,19,22,24)/t12-/m0/s1
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n/an/an/an/a 1.30E+4n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CHK1 in human HT29 cells assessed as check point abrogation


J Med Chem 55: 5130-42 (2012)


Article DOI: 10.1021/jm300025r
BindingDB Entry DOI: 10.7270/Q2RV0PR6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50389812
PNG
(CHEMBL2070708)
Show SMILES NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1cccc(F)c1F
Show InChI InChI=1S/C17H18F2N4O2S/c18-11-5-1-4-10(14(11)19)13-7-12(23-17(20)25)15(26-13)16(24)22-9-3-2-6-21-8-9/h1,4-5,7,9,21H,2-3,6,8H2,(H,22,24)(H3,20,23,25)/t9-/m0/s1
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n/an/an/an/a 60n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CHK1 in human HT29 cells assessed as abrogation of campothecin induced check point


J Med Chem 55: 5130-42 (2012)


Article DOI: 10.1021/jm300025r
BindingDB Entry DOI: 10.7270/Q2RV0PR6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50389810
PNG
(CHEMBL2070710)
Show SMILES NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1ccc(F)cc1F
Show InChI InChI=1S/C17H18F2N4O2S/c18-9-3-4-11(12(19)6-9)14-7-13(23-17(20)25)15(26-14)16(24)22-10-2-1-5-21-8-10/h3-4,6-7,10,21H,1-2,5,8H2,(H,22,24)(H3,20,23,25)/t10-/m0/s1
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n/an/an/an/a 20n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CHK1 in human HT29 cells assessed as abrogation of campothecin induced check point


J Med Chem 55: 5130-42 (2012)


Article DOI: 10.1021/jm300025r
BindingDB Entry DOI: 10.7270/Q2RV0PR6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50389808
PNG
(CHEMBL2070712)
Show SMILES NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H18Cl2N4O2S/c18-11-4-3-9(6-12(11)19)14-7-13(23-17(20)25)15(26-14)16(24)22-10-2-1-5-21-8-10/h3-4,6-7,10,21H,1-2,5,8H2,(H,22,24)(H3,20,23,25)/t10-/m0/s1
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n/an/an/an/a 200n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CHK1 in human HT29 cells assessed as abrogation of campothecin induced check point


J Med Chem 55: 5130-42 (2012)


Article DOI: 10.1021/jm300025r
BindingDB Entry DOI: 10.7270/Q2RV0PR6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50389803
PNG
(AZD7762 | CHEMBL2041933)
Show SMILES NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1cccc(F)c1
Show InChI InChI=1S/C17H19FN4O2S/c18-11-4-1-3-10(7-11)14-8-13(22-17(19)24)15(25-14)16(23)21-12-5-2-6-20-9-12/h1,3-4,7-8,12,20H,2,5-6,9H2,(H,21,23)(H3,19,22,24)/t12-/m0/s1
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n/an/an/an/a 10n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CHK1 in human HT29 cells assessed as abrogation of campothecin induced check point


J Med Chem 55: 5130-42 (2012)


Article DOI: 10.1021/jm300025r
BindingDB Entry DOI: 10.7270/Q2RV0PR6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50389806
PNG
(CHEMBL2070714)
Show SMILES NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C18H19N5O2S/c19-9-11-3-5-12(6-4-11)15-8-14(23-18(20)25)16(26-15)17(24)22-13-2-1-7-21-10-13/h3-6,8,13,21H,1-2,7,10H2,(H,22,24)(H3,20,23,25)/t13-/m0/s1
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n/an/an/an/a 30n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CHK1 in human HT29 cells assessed as abrogation of campothecin induced check point


J Med Chem 55: 5130-42 (2012)


Article DOI: 10.1021/jm300025r
BindingDB Entry DOI: 10.7270/Q2RV0PR6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50389822
PNG
(CHEMBL2070697)
Show SMILES NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1ccccc1
Show InChI InChI=1S/C17H20N4O2S/c18-17(23)21-13-9-14(11-5-2-1-3-6-11)24-15(13)16(22)20-12-7-4-8-19-10-12/h1-3,5-6,9,12,19H,4,7-8,10H2,(H,20,22)(H3,18,21,23)/t12-/m0/s1
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n/an/an/an/a 590n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CHK1 in human HT29 cells assessed as check point abrogation


J Med Chem 55: 5130-42 (2012)


Article DOI: 10.1021/jm300025r
BindingDB Entry DOI: 10.7270/Q2RV0PR6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50389804
PNG
(CHEMBL2070716)
Show SMILES NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1cccc(c1)C#N
Show InChI InChI=1S/C18H19N5O2S/c19-9-11-3-1-4-12(7-11)15-8-14(23-18(20)25)16(26-15)17(24)22-13-5-2-6-21-10-13/h1,3-4,7-8,13,21H,2,5-6,10H2,(H,22,24)(H3,20,23,25)/t13-/m0/s1
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n/an/an/an/a 40n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CHK1 in human HT29 cells assessed as abrogation of campothecin induced check point


J Med Chem 55: 5130-42 (2012)


Article DOI: 10.1021/jm300025r
BindingDB Entry DOI: 10.7270/Q2RV0PR6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50389803
PNG
(AZD7762 | CHEMBL2041933)
Show SMILES NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1cccc(F)c1
Show InChI InChI=1S/C17H19FN4O2S/c18-11-4-1-3-10(7-11)14-8-13(22-17(19)24)15(25-14)16(23)21-12-5-2-6-20-9-12/h1,3-4,7-8,12,20H,2,5-6,9H2,(H,21,23)(H3,19,22,24)/t12-/m0/s1
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n/an/a<10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CHK2


J Med Chem 55: 5130-42 (2012)


Article DOI: 10.1021/jm300025r
BindingDB Entry DOI: 10.7270/Q2RV0PR6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50389813
PNG
(CHEMBL2070706)
Show SMILES NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1cc(F)cc(F)c1
Show InChI InChI=1S/C17H18F2N4O2S/c18-10-4-9(5-11(19)6-10)14-7-13(23-17(20)25)15(26-14)16(24)22-12-2-1-3-21-8-12/h4-7,12,21H,1-3,8H2,(H,22,24)(H3,20,23,25)/t12-/m0/s1
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n/an/an/an/a 60n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CHK1 in human HT29 cells assessed as abrogation of campothecin induced check point


J Med Chem 55: 5130-42 (2012)


Article DOI: 10.1021/jm300025r
BindingDB Entry DOI: 10.7270/Q2RV0PR6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50389822
PNG
(CHEMBL2070697)
Show SMILES NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1ccccc1
Show InChI InChI=1S/C17H20N4O2S/c18-17(23)21-13-9-14(11-5-2-1-3-6-11)24-15(13)16(22)20-12-7-4-8-19-10-12/h1-3,5-6,9,12,19H,4,7-8,10H2,(H,20,22)(H3,18,21,23)/t12-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CHK1 expressed in insect cells using biotinylaminohexanoyl-KKVSRSGLYRSPMPENLNRPR as substrate after 2 hrs by scintill...


J Med Chem 55: 5130-42 (2012)


Article DOI: 10.1021/jm300025r
BindingDB Entry DOI: 10.7270/Q2RV0PR6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50389815
PNG
(CHEMBL2070704)
Show SMILES NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1cccc(Cl)c1
Show InChI InChI=1S/C17H19ClN4O2S/c18-11-4-1-3-10(7-11)14-8-13(22-17(19)24)15(25-14)16(23)21-12-5-2-6-20-9-12/h1,3-4,7-8,12,20H,2,5-6,9H2,(H,21,23)(H3,19,22,24)/t12-/m0/s1
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n/an/an/an/a 10n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CHK1 in human HT29 cells assessed as abrogation of campothecin induced check point


J Med Chem 55: 5130-42 (2012)


Article DOI: 10.1021/jm300025r
BindingDB Entry DOI: 10.7270/Q2RV0PR6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50389817
PNG
(CHEMBL2070702)
Show SMILES NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H19FN4O2S/c18-11-5-3-10(4-6-11)14-8-13(22-17(19)24)15(25-14)16(23)21-12-2-1-7-20-9-12/h3-6,8,12,20H,1-2,7,9H2,(H,21,23)(H3,19,22,24)/t12-/m0/s1
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n/an/an/an/a 20n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CHK1 in human HT29 cells assessed as abrogation of campothecin induced check point


J Med Chem 55: 5130-42 (2012)


Article DOI: 10.1021/jm300025r
BindingDB Entry DOI: 10.7270/Q2RV0PR6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50389803
PNG
(AZD7762 | CHEMBL2041933)
Show SMILES NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1cccc(F)c1
Show InChI InChI=1S/C17H19FN4O2S/c18-11-4-1-3-10(7-11)14-8-13(22-17(19)24)15(25-14)16(23)21-12-5-2-6-20-9-12/h1,3-4,7-8,12,20H,2,5-6,9H2,(H,21,23)(H3,19,22,24)/t12-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CHK1 expressed in insect cells using biotinylaminohexanoyl-KKVSRSGLYRSPMPENLNRPR as substrate after 2 hrs by scintill...


J Med Chem 55: 5130-42 (2012)


Article DOI: 10.1021/jm300025r
BindingDB Entry DOI: 10.7270/Q2RV0PR6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50389813
PNG
(CHEMBL2070706)
Show SMILES NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1cc(F)cc(F)c1
Show InChI InChI=1S/C17H18F2N4O2S/c18-10-4-9(5-11(19)6-10)14-7-13(23-17(20)25)15(26-14)16(24)22-12-2-1-3-21-8-12/h4-7,12,21H,1-3,8H2,(H,22,24)(H3,20,23,25)/t12-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CHK1 expressed in insect cells using biotinylaminohexanoyl-KKVSRSGLYRSPMPENLNRPR as substrate after 2 hrs by scintill...


J Med Chem 55: 5130-42 (2012)


Article DOI: 10.1021/jm300025r
BindingDB Entry DOI: 10.7270/Q2RV0PR6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50389808
PNG
(CHEMBL2070712)
Show SMILES NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H18Cl2N4O2S/c18-11-4-3-9(6-12(11)19)14-7-13(23-17(20)25)15(26-14)16(24)22-10-2-1-5-21-8-10/h3-4,6-7,10,21H,1-2,5,8H2,(H,22,24)(H3,20,23,25)/t10-/m0/s1
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n/an/an/an/a 5.80E+3n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CHK1 in human HT29 cells assessed as check point abrogation


J Med Chem 55: 5130-42 (2012)


Article DOI: 10.1021/jm300025r
BindingDB Entry DOI: 10.7270/Q2RV0PR6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50389815
PNG
(CHEMBL2070704)
Show SMILES NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1cccc(Cl)c1
Show InChI InChI=1S/C17H19ClN4O2S/c18-11-4-1-3-10(7-11)14-8-13(22-17(19)24)15(25-14)16(23)21-12-5-2-6-20-9-12/h1,3-4,7-8,12,20H,2,5-6,9H2,(H,21,23)(H3,19,22,24)/t12-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CHK1 expressed in insect cells using biotinylaminohexanoyl-KKVSRSGLYRSPMPENLNRPR as substrate after 2 hrs by scintill...


J Med Chem 55: 5130-42 (2012)


Article DOI: 10.1021/jm300025r
BindingDB Entry DOI: 10.7270/Q2RV0PR6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50389822
PNG
(CHEMBL2070697)
Show SMILES NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1ccccc1
Show InChI InChI=1S/C17H20N4O2S/c18-17(23)21-13-9-14(11-5-2-1-3-6-11)24-15(13)16(22)20-12-7-4-8-19-10-12/h1-3,5-6,9,12,19H,4,7-8,10H2,(H,20,22)(H3,18,21,23)/t12-/m0/s1
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n/an/an/an/a 20n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CHK1 in human HT29 cells assessed as abrogation of campothecin induced check point


J Med Chem 55: 5130-42 (2012)


Article DOI: 10.1021/jm300025r
BindingDB Entry DOI: 10.7270/Q2RV0PR6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50389806
PNG
(CHEMBL2070714)
Show SMILES NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C18H19N5O2S/c19-9-11-3-5-12(6-4-11)15-8-14(23-18(20)25)16(26-15)17(24)22-13-2-1-7-21-10-13/h3-6,8,13,21H,1-2,7,10H2,(H,22,24)(H3,20,23,25)/t13-/m0/s1
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n/an/an/an/a 600n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CHK1 in human HT29 cells assessed as check point abrogation


J Med Chem 55: 5130-42 (2012)


Article DOI: 10.1021/jm300025r
BindingDB Entry DOI: 10.7270/Q2RV0PR6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50389804
PNG
(CHEMBL2070716)
Show SMILES NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1cccc(c1)C#N
Show InChI InChI=1S/C18H19N5O2S/c19-9-11-3-1-4-12(7-11)15-8-14(23-18(20)25)16(26-15)17(24)22-13-5-2-6-21-10-13/h1,3-4,7-8,13,21H,2,5-6,10H2,(H,22,24)(H3,20,23,25)/t13-/m0/s1
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n/an/an/an/a 1.90E+3n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CHK1 in human HT29 cells assessed as check point abrogation


J Med Chem 55: 5130-42 (2012)


Article DOI: 10.1021/jm300025r
BindingDB Entry DOI: 10.7270/Q2RV0PR6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50389817
PNG
(CHEMBL2070702)
Show SMILES NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H19FN4O2S/c18-11-5-3-10(4-6-11)14-8-13(22-17(19)24)15(25-14)16(23)21-12-2-1-7-20-9-12/h3-6,8,12,20H,1-2,7,9H2,(H,21,23)(H3,19,22,24)/t12-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CHK1 expressed in insect cells using biotinylaminohexanoyl-KKVSRSGLYRSPMPENLNRPR as substrate after 2 hrs by scintill...


J Med Chem 55: 5130-42 (2012)


Article DOI: 10.1021/jm300025r
BindingDB Entry DOI: 10.7270/Q2RV0PR6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50389812
PNG
(CHEMBL2070708)
Show SMILES NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1cccc(F)c1F
Show InChI InChI=1S/C17H18F2N4O2S/c18-11-5-1-4-10(14(11)19)13-7-12(23-17(20)25)15(26-13)16(24)22-9-3-2-6-21-8-9/h1,4-5,7,9,21H,2-3,6,8H2,(H,22,24)(H3,20,23,25)/t9-/m0/s1
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n/an/an/an/a 1.50E+3n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CHK1 in human HT29 cells assessed as check point abrogation


J Med Chem 55: 5130-42 (2012)


Article DOI: 10.1021/jm300025r
BindingDB Entry DOI: 10.7270/Q2RV0PR6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50389810
PNG
(CHEMBL2070710)
Show SMILES NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1ccc(F)cc1F
Show InChI InChI=1S/C17H18F2N4O2S/c18-9-3-4-11(12(19)6-9)14-7-13(23-17(20)25)15(26-14)16(24)22-10-2-1-5-21-8-10/h3-4,6-7,10,21H,1-2,5,8H2,(H,22,24)(H3,20,23,25)/t10-/m0/s1
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n/an/an/an/a 1.10E+3n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CHK1 in human HT29 cells assessed as check point abrogation


J Med Chem 55: 5130-42 (2012)


Article DOI: 10.1021/jm300025r
BindingDB Entry DOI: 10.7270/Q2RV0PR6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50389803
PNG
(AZD7762 | CHEMBL2041933)
Show SMILES NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1cccc(F)c1
Show InChI InChI=1S/C17H19FN4O2S/c18-11-4-1-3-10(7-11)14-8-13(22-17(19)24)15(25-14)16(23)21-12-5-2-6-20-9-12/h1,3-4,7-8,12,20H,2,5-6,9H2,(H,21,23)(H3,19,22,24)/t12-/m0/s1
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n/an/a 7.90n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Chk1 (unknown origin) by luminescent ADP-Glo assay


Bioorg Med Chem 22: 4882-92 (2014)


Article DOI: 10.1016/j.bmc.2014.06.044
BindingDB Entry DOI: 10.7270/Q2TM7CRB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50389810
PNG
(CHEMBL2070710)
Show SMILES NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1ccc(F)cc1F
Show InChI InChI=1S/C17H18F2N4O2S/c18-9-3-4-11(12(19)6-9)14-7-13(23-17(20)25)15(26-14)16(24)22-10-2-1-5-21-8-10/h3-4,6-7,10,21H,1-2,5,8H2,(H,22,24)(H3,20,23,25)/t10-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CHK1 expressed in insect cells using biotinylaminohexanoyl-KKVSRSGLYRSPMPENLNRPR as substrate after 2 hrs by scintill...


J Med Chem 55: 5130-42 (2012)


Article DOI: 10.1021/jm300025r
BindingDB Entry DOI: 10.7270/Q2RV0PR6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)