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BDBM50519158 CHEMBL4445812

SMILES: Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1

InChI Key: InChIKey=MRITYVDXXFOOAU-UHFFFAOYSA-N

Data: 44 Kd

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 44 hits for monomerid = 50519158   
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50519158
PNG
(CHEMBL4445812)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H13Cl2N3O2S/c22-17-6-4-15(11-18(17)23)19(27)25-16-5-3-12-9-14(2-1-13(12)10-16)20(28)26-21-24-7-8-29-21/h1-11H,(H,25,27)(H,24,26,28)
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n/an/an/a 7.11E+3n/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Binding affinity to human partial length PIK3CA Q546K mutant (R108 to N1068 residues) expressed in mammalian expression system measured after 1 hr by...


J Med Chem 62: 7697-7707 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00353
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50519158
PNG
(CHEMBL4445812)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H13Cl2N3O2S/c22-17-6-4-15(11-18(17)23)19(27)25-16-5-3-12-9-14(2-1-13(12)10-16)20(28)26-21-24-7-8-29-21/h1-11H,(H,25,27)(H,24,26,28)
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n/an/an/a 7.11E+3n/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Binding affinity to human partial length PIK3CA H1047L mutant (R108 to N1068 residues) expressed in mammalian expression system measured after 1 hr b...


J Med Chem 62: 7697-7707 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00353
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM50519158
PNG
(CHEMBL4445812)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H13Cl2N3O2S/c22-17-6-4-15(11-18(17)23)19(27)25-16-5-3-12-9-14(2-1-13(12)10-16)20(28)26-21-24-7-8-29-21/h1-11H,(H,25,27)(H,24,26,28)
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n/an/an/a 456n/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human partial length PLK3 (A42 to L334 residues) expressed in mammalian expression system measured after 1 hr by kinome...


J Med Chem 62: 7697-7707 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00353
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50519158
PNG
(CHEMBL4445812)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H13Cl2N3O2S/c22-17-6-4-15(11-18(17)23)19(27)25-16-5-3-12-9-14(2-1-13(12)10-16)20(28)26-21-24-7-8-29-21/h1-11H,(H,25,27)(H,24,26,28)
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n/an/an/a 8.02E+3n/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human full length CDK9 (M1 to F372 residues) expressed in bacterial expression system measured after 1 hr by kinomescan...


J Med Chem 62: 7697-7707 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00353
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50519158
PNG
(CHEMBL4445812)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H13Cl2N3O2S/c22-17-6-4-15(11-18(17)23)19(27)25-16-5-3-12-9-14(2-1-13(12)10-16)20(28)26-21-24-7-8-29-21/h1-11H,(H,25,27)(H,24,26,28)
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n/an/an/a 8.02E+3n/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human full length CDK4/cyclinD1 (M1 to E303 residues) expressed in mammalian expression system measured after 1 hr by k...


J Med Chem 62: 7697-7707 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00353
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50519158
PNG
(CHEMBL4445812)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H13Cl2N3O2S/c22-17-6-4-15(11-18(17)23)19(27)25-16-5-3-12-9-14(2-1-13(12)10-16)20(28)26-21-24-7-8-29-21/h1-11H,(H,25,27)(H,24,26,28)
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n/an/an/a 7.11E+3n/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human partial length PIK3CD (R108 to Q1044 residues) expressed in mammalian expression system measured after 1 hr by ki...


J Med Chem 62: 7697-7707 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00353
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50519158
PNG
(CHEMBL4445812)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H13Cl2N3O2S/c22-17-6-4-15(11-18(17)23)19(27)25-16-5-3-12-9-14(2-1-13(12)10-16)20(28)26-21-24-7-8-29-21/h1-11H,(H,25,27)(H,24,26,28)
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n/an/an/a 7.11E+3n/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human partial length PIK3CG (S144 to A1102 residues) expressed in mammalian expression system measured after 1 hr by ki...


J Med Chem 62: 7697-7707 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00353
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50519158
PNG
(CHEMBL4445812)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H13Cl2N3O2S/c22-17-6-4-15(11-18(17)23)19(27)25-16-5-3-12-9-14(2-1-13(12)10-16)20(28)26-21-24-7-8-29-21/h1-11H,(H,25,27)(H,24,26,28)
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n/an/an/a 8.02E+3n/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human full length CDK2 (M1 to L298 residues) expressed in bacterial expression system measured after 1 hr by kinomescan...


J Med Chem 62: 7697-7707 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00353
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50519158
PNG
(CHEMBL4445812)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H13Cl2N3O2S/c22-17-6-4-15(11-18(17)23)19(27)25-16-5-3-12-9-14(2-1-13(12)10-16)20(28)26-21-24-7-8-29-21/h1-11H,(H,25,27)(H,24,26,28)
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n/an/an/a 8.02E+3n/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human full length CDK7 (M1 to L344 residues) expressed in mammalian expression system measured after 1 hr by kinomescan...


J Med Chem 62: 7697-7707 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00353
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM50519158
PNG
(CHEMBL4445812)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H13Cl2N3O2S/c22-17-6-4-15(11-18(17)23)19(27)25-16-5-3-12-9-14(2-1-13(12)10-16)20(28)26-21-24-7-8-29-21/h1-11H,(H,25,27)(H,24,26,28)
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n/an/an/a 8.02E+3n/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human partial length CDK8 (M1 to T360 residues) expressed in bacterial expression system measured after 1 hr by kinomes...


J Med Chem 62: 7697-7707 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00353
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 19


(Homo sapiens (Human))
BDBM50519158
PNG
(CHEMBL4445812)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H13Cl2N3O2S/c22-17-6-4-15(11-18(17)23)19(27)25-16-5-3-12-9-14(2-1-13(12)10-16)20(28)26-21-24-7-8-29-21/h1-11H,(H,25,27)(H,24,26,28)
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n/an/an/a 8.02E+3n/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human partial length CDK11 (M1 to N360 residues) expressed in mammalian expression system measured after 1 hr by kinome...


J Med Chem 62: 7697-7707 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00353
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 20


(Homo sapiens)
BDBM50519158
PNG
(CHEMBL4445812)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H13Cl2N3O2S/c22-17-6-4-15(11-18(17)23)19(27)25-16-5-3-12-9-14(2-1-13(12)10-16)20(28)26-21-24-7-8-29-21/h1-11H,(H,25,27)(H,24,26,28)
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n/an/an/a 8.02E+3n/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human full-length CDK20 (M1 to G346 residues) expressed in mammalian expression system measured after 1 hr by kinomesca...


J Med Chem 62: 7697-7707 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00353
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6


(Homo sapiens (Human))
BDBM50519158
PNG
(CHEMBL4445812)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H13Cl2N3O2S/c22-17-6-4-15(11-18(17)23)19(27)25-16-5-3-12-9-14(2-1-13(12)10-16)20(28)26-21-24-7-8-29-21/h1-11H,(H,25,27)(H,24,26,28)
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n/an/an/a 8.02E+3n/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human full-length CDK6 (M1 to A326 residues) expressed in mammalian expression system measured after 1 hr by kinomescan...


J Med Chem 62: 7697-7707 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00353
More data for this
Ligand-Target Pair
CDK3/Cyclin E


(Homo sapiens (Human))
BDBM50519158
PNG
(CHEMBL4445812)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H13Cl2N3O2S/c22-17-6-4-15(11-18(17)23)19(27)25-16-5-3-12-9-14(2-1-13(12)10-16)20(28)26-21-24-7-8-29-21/h1-11H,(H,25,27)(H,24,26,28)
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n/an/an/a 8.02E+3n/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human full length CDK3 (M1 to H305 residues) expressed in bacterial expression system measured after 1 hr by kinomescan...


J Med Chem 62: 7697-7707 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00353
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50519158
PNG
(CHEMBL4445812)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H13Cl2N3O2S/c22-17-6-4-15(11-18(17)23)19(27)25-16-5-3-12-9-14(2-1-13(12)10-16)20(28)26-21-24-7-8-29-21/h1-11H,(H,25,27)(H,24,26,28)
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n/an/an/a 8.02E+3n/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human full length CDK4 (M1 to E303 residues) expressed in mammalian expression system measured after 1 hr by kinomescan...


J Med Chem 62: 7697-7707 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00353
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50519158
PNG
(CHEMBL4445812)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H13Cl2N3O2S/c22-17-6-4-15(11-18(17)23)19(27)25-16-5-3-12-9-14(2-1-13(12)10-16)20(28)26-21-24-7-8-29-21/h1-11H,(H,25,27)(H,24,26,28)
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n/an/an/a 7.11E+3n/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human partial length PIK3CB (P118 to S1070 residues) expressed in mammalian expression system measured after 1 hr by ki...


J Med Chem 62: 7697-7707 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00353
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50519158
PNG
(CHEMBL4445812)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H13Cl2N3O2S/c22-17-6-4-15(11-18(17)23)19(27)25-16-5-3-12-9-14(2-1-13(12)10-16)20(28)26-21-24-7-8-29-21/h1-11H,(H,25,27)(H,24,26,28)
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n/an/an/a 7.11E+3n/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Binding affinity to human partial length PIK3CA M1043I mutant (R108 to N1068 residues) expressed in mammalian expression system measured after 1 hr b...


J Med Chem 62: 7697-7707 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00353
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50519158
PNG
(CHEMBL4445812)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H13Cl2N3O2S/c22-17-6-4-15(11-18(17)23)19(27)25-16-5-3-12-9-14(2-1-13(12)10-16)20(28)26-21-24-7-8-29-21/h1-11H,(H,25,27)(H,24,26,28)
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n/an/an/a 7.11E+3n/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Binding affinity to human partial length PIK3CA H1047Y mutant (R108 to N1068 residues) expressed in mammalian expression system measured after 1 hr b...


J Med Chem 62: 7697-7707 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00353
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50519158
PNG
(CHEMBL4445812)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H13Cl2N3O2S/c22-17-6-4-15(11-18(17)23)19(27)25-16-5-3-12-9-14(2-1-13(12)10-16)20(28)26-21-24-7-8-29-21/h1-11H,(H,25,27)(H,24,26,28)
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n/an/an/a 7.11E+3n/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Binding affinity to human partial length PIK3CA E545K mutant (R108 to N1068 residues) expressed in mammalian expression system measured after 1 hr by...


J Med Chem 62: 7697-7707 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00353
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50519158
PNG
(CHEMBL4445812)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H13Cl2N3O2S/c22-17-6-4-15(11-18(17)23)19(27)25-16-5-3-12-9-14(2-1-13(12)10-16)20(28)26-21-24-7-8-29-21/h1-11H,(H,25,27)(H,24,26,28)
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n/an/an/a 7.11E+3n/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Binding affinity to human partial length PIK3CA E542K mutant (R108 to N1068 residues) expressed in mammalian expression system measured after 1 hr by...


J Med Chem 62: 7697-7707 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00353
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50519158
PNG
(CHEMBL4445812)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H13Cl2N3O2S/c22-17-6-4-15(11-18(17)23)19(27)25-16-5-3-12-9-14(2-1-13(12)10-16)20(28)26-21-24-7-8-29-21/h1-11H,(H,25,27)(H,24,26,28)
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n/an/an/a 7.11E+3n/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Binding affinity to human partial length PIK3CA C420R mutant (R108 to N1068 residues) expressed in mammalian expression system measured after 1 hr by...


J Med Chem 62: 7697-7707 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00353
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50519158
PNG
(CHEMBL4445812)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H13Cl2N3O2S/c22-17-6-4-15(11-18(17)23)19(27)25-16-5-3-12-9-14(2-1-13(12)10-16)20(28)26-21-24-7-8-29-21/h1-11H,(H,25,27)(H,24,26,28)
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n/an/an/a 7.11E+3n/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human partial length PIK3CA (R108 to N1068 residues) expressed in mammalian expression system measured after 1 hr by ki...


J Med Chem 62: 7697-7707 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00353
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 4


(Homo sapiens (Human))
BDBM50519158
PNG
(CHEMBL4445812)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H13Cl2N3O2S/c22-17-6-4-15(11-18(17)23)19(27)25-16-5-3-12-9-14(2-1-13(12)10-16)20(28)26-21-24-7-8-29-21/h1-11H,(H,25,27)(H,24,26,28)
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n/an/an/a 5.32E+3n/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human partial length ERK4 (M1 to L365 residues) expressed in bacterial expression system measured after 1 hr by kinomes...


J Med Chem 62: 7697-7707 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00353
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 6


(Homo sapiens (Human))
BDBM50519158
PNG
(CHEMBL4445812)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H13Cl2N3O2S/c22-17-6-4-15(11-18(17)23)19(27)25-16-5-3-12-9-14(2-1-13(12)10-16)20(28)26-21-24-7-8-29-21/h1-11H,(H,25,27)(H,24,26,28)
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n/an/an/a 5.32E+3n/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human partial length ERK3 (M1 to P413 residues) expressed in bacterial expression system measured after 1 hr by kinomes...


J Med Chem 62: 7697-7707 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00353
More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM50519158
PNG
(CHEMBL4445812)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H13Cl2N3O2S/c22-17-6-4-15(11-18(17)23)19(27)25-16-5-3-12-9-14(2-1-13(12)10-16)20(28)26-21-24-7-8-29-21/h1-11H,(H,25,27)(H,24,26,28)
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n/an/an/a 5.32E+3n/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human full length ERK1 Q122L mutant (M1 to P379 residues) expressed in bacterial expression system measured after 1 hr ...


J Med Chem 62: 7697-7707 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00353
More data for this
Ligand-Target Pair
MAP kinase ERK1


(Homo sapiens (Human))
BDBM50519158
PNG
(CHEMBL4445812)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H13Cl2N3O2S/c22-17-6-4-15(11-18(17)23)19(27)25-16-5-3-12-9-14(2-1-13(12)10-16)20(28)26-21-24-7-8-29-21/h1-11H,(H,25,27)(H,24,26,28)
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n/an/an/a 5.32E+3n/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human full length ERK1 (M1 to P379 residues) expressed in bacterial expression system measured after 1 hr by kinomescan...


J Med Chem 62: 7697-7707 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00353
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50519158
PNG
(CHEMBL4445812)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H13Cl2N3O2S/c22-17-6-4-15(11-18(17)23)19(27)25-16-5-3-12-9-14(2-1-13(12)10-16)20(28)26-21-24-7-8-29-21/h1-11H,(H,25,27)(H,24,26,28)
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n/an/an/a 272n/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human partial length PLK2 (H58 to F354 residues) expressed in mammalian expression system measured after 1 hr by kinome...


J Med Chem 62: 7697-7707 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00353
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50519158
PNG
(CHEMBL4445812)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H13Cl2N3O2S/c22-17-6-4-15(11-18(17)23)19(27)25-16-5-3-12-9-14(2-1-13(12)10-16)20(28)26-21-24-7-8-29-21/h1-11H,(H,25,27)(H,24,26,28)
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n/an/an/a 78n/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human partial length AURKB (D25 to A303 residues) expressed in mammalian expression system measured after 1 hr by Kinom...


J Med Chem 62: 7697-7707 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00353
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50519158
PNG
(CHEMBL4445812)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H13Cl2N3O2S/c22-17-6-4-15(11-18(17)23)19(27)25-16-5-3-12-9-14(2-1-13(12)10-16)20(28)26-21-24-7-8-29-21/h1-11H,(H,25,27)(H,24,26,28)
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n/an/an/a 5.32E+3n/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human full length ERK2 (M1 to S360 residues) expressed in bacterial expression system measured after 1 hr by kinomescan...


J Med Chem 62: 7697-7707 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00353
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM50519158
PNG
(CHEMBL4445812)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H13Cl2N3O2S/c22-17-6-4-15(11-18(17)23)19(27)25-16-5-3-12-9-14(2-1-13(12)10-16)20(28)26-21-24-7-8-29-21/h1-11H,(H,25,27)(H,24,26,28)
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n/an/an/a 289n/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human full length AURKC (M1 to S275 residues) expressed in bacterial expression system measured after 1 hr by Kinomesca...


J Med Chem 62: 7697-7707 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00353
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50519158
PNG
(CHEMBL4445812)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H13Cl2N3O2S/c22-17-6-4-15(11-18(17)23)19(27)25-16-5-3-12-9-14(2-1-13(12)10-16)20(28)26-21-24-7-8-29-21/h1-11H,(H,25,27)(H,24,26,28)
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n/an/an/a 8.02E+3n/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human full length CDK4/cyclinD1 F93L mutant (M1 to E303 residues) expressed in mammalian expression system measured aft...


J Med Chem 62: 7697-7707 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00353
More data for this
Ligand-Target Pair
Cyclin-dependent-like kinase 5


(Homo sapiens (Human))
BDBM50519158
PNG
(CHEMBL4445812)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H13Cl2N3O2S/c22-17-6-4-15(11-18(17)23)19(27)25-16-5-3-12-9-14(2-1-13(12)10-16)20(28)26-21-24-7-8-29-21/h1-11H,(H,25,27)(H,24,26,28)
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n/an/an/a 8.02E+3n/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human full length CDK5 (M1 to P292 residues) expressed in bacterial expression system measured after 1 hr by kinomescan...


J Med Chem 62: 7697-7707 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00353
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 10


(Homo sapiens)
BDBM50519158
PNG
(CHEMBL4445812)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H13Cl2N3O2S/c22-17-6-4-15(11-18(17)23)19(27)25-16-5-3-12-9-14(2-1-13(12)10-16)20(28)26-21-24-7-8-29-21/h1-11H,(H,25,27)(H,24,26,28)
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n/an/an/a 8.02E+3n/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human full-length CDK10 (M1 to P360 residues) expressed in mammalian expression system measured after 1 hr by kinomesca...


J Med Chem 62: 7697-7707 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00353
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50519158
PNG
(CHEMBL4445812)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H13Cl2N3O2S/c22-17-6-4-15(11-18(17)23)19(27)25-16-5-3-12-9-14(2-1-13(12)10-16)20(28)26-21-24-7-8-29-21/h1-11H,(H,25,27)(H,24,26,28)
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n/an/an/a 7.11E+3n/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Binding affinity to human partial length PIK3CA I800L mutant (R108 to N1068 residues) expressed in mammalian expression system measured after 1 hr by...


J Med Chem 62: 7697-7707 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00353
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50519158
PNG
(CHEMBL4445812)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H13Cl2N3O2S/c22-17-6-4-15(11-18(17)23)19(27)25-16-5-3-12-9-14(2-1-13(12)10-16)20(28)26-21-24-7-8-29-21/h1-11H,(H,25,27)(H,24,26,28)
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n/an/an/a 7.11E+3n/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Binding affinity to human partial length PIK3CA E545A mutant (R108 to N1068 residues) expressed in mammalian expression system measured after 1 hr by...


J Med Chem 62: 7697-7707 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00353
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 15


(Homo sapiens (Human))
BDBM50519158
PNG
(CHEMBL4445812)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H13Cl2N3O2S/c22-17-6-4-15(11-18(17)23)19(27)25-16-5-3-12-9-14(2-1-13(12)10-16)20(28)26-21-24-7-8-29-21/h1-11H,(H,25,27)(H,24,26,28)
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n/an/an/a 5.32E+3n/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human partial length ERK8 (M1 to P437 residues) expressed in bacterial expression system measured after 1 hr by kinomes...


J Med Chem 62: 7697-7707 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00353
More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM50519158
PNG
(CHEMBL4445812)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H13Cl2N3O2S/c22-17-6-4-15(11-18(17)23)19(27)25-16-5-3-12-9-14(2-1-13(12)10-16)20(28)26-21-24-7-8-29-21/h1-11H,(H,25,27)(H,24,26,28)
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n/an/an/a 8.02E+3n/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human full length CDK4/cyclinD3 (M1 to E303 residues) expressed in mammalian expression system measured after 1 hr by k...


J Med Chem 62: 7697-7707 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00353
More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 5 (ERK5)


(Homo sapiens (Human))
BDBM50519158
PNG
(CHEMBL4445812)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H13Cl2N3O2S/c22-17-6-4-15(11-18(17)23)19(27)25-16-5-3-12-9-14(2-1-13(12)10-16)20(28)26-21-24-7-8-29-21/h1-11H,(H,25,27)(H,24,26,28)
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n/an/an/a 5.32E+3n/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human partial length ERK5 (M1 to A409 residues) expressed in bacterial expression system measured after 1 hr by kinomes...


J Med Chem 62: 7697-7707 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00353
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50519158
PNG
(CHEMBL4445812)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H13Cl2N3O2S/c22-17-6-4-15(11-18(17)23)19(27)25-16-5-3-12-9-14(2-1-13(12)10-16)20(28)26-21-24-7-8-29-21/h1-11H,(H,25,27)(H,24,26,28)
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n/an/an/a 55n/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human partial length PLK1 (A33 to F325 residues) expressed in mammalian expression system measured after 1 hr by kinome...


J Med Chem 62: 7697-7707 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00353
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50519158
PNG
(CHEMBL4445812)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H13Cl2N3O2S/c22-17-6-4-15(11-18(17)23)19(27)25-16-5-3-12-9-14(2-1-13(12)10-16)20(28)26-21-24-7-8-29-21/h1-11H,(H,25,27)(H,24,26,28)
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n/an/an/a 8.02E+3n/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human full-length CDK1 (M1 to M297 residues) expressed in mammalian expression system measured after 1 hr by kinomescan...


J Med Chem 62: 7697-7707 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00353
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM50519158
PNG
(CHEMBL4445812)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H13Cl2N3O2S/c22-17-6-4-15(11-18(17)23)19(27)25-16-5-3-12-9-14(2-1-13(12)10-16)20(28)26-21-24-7-8-29-21/h1-11H,(H,25,27)(H,24,26,28)
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n/an/an/a 7.11E+3n/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human partial length PIK3C2B (M1 to L1634 residues) expressed in mammalian expression system measured after 1 hr by kin...


J Med Chem 62: 7697-7707 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00353
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50519158
PNG
(CHEMBL4445812)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H13Cl2N3O2S/c22-17-6-4-15(11-18(17)23)19(27)25-16-5-3-12-9-14(2-1-13(12)10-16)20(28)26-21-24-7-8-29-21/h1-11H,(H,25,27)(H,24,26,28)
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n/an/an/a 23n/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human partial length AURKA (E122 to K401 residues) expressed in mammalian expression system measured after 1 hr by Kino...


J Med Chem 62: 7697-7707 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00353
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 12


(Homo sapiens)
BDBM50519158
PNG
(CHEMBL4445812)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H13Cl2N3O2S/c22-17-6-4-15(11-18(17)23)19(27)25-16-5-3-12-9-14(2-1-13(12)10-16)20(28)26-21-24-7-8-29-21/h1-11H,(H,25,27)(H,24,26,28)
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n/an/an/a 8.02E+3n/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human partial length CDK12 (P697 to E1077 residues) expressed in mammalian expression system measured after 1 hr by kin...


J Med Chem 62: 7697-7707 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00353
More data for this
Ligand-Target Pair
Phosphatidylinositol-4-phosphate 3-kinase C2 domain-containing subunit gamma


(Homo sapiens (Human))
BDBM50519158
PNG
(CHEMBL4445812)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H13Cl2N3O2S/c22-17-6-4-15(11-18(17)23)19(27)25-16-5-3-12-9-14(2-1-13(12)10-16)20(28)26-21-24-7-8-29-21/h1-11H,(H,25,27)(H,24,26,28)
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n/an/an/a 7.11E+3n/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human partial length PIK3C2G (M1 to I1446 residues) expressed in mammalian expression system measured after 1 hr by kin...


J Med Chem 62: 7697-7707 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00353
More data for this
Ligand-Target Pair