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BDBM50362169 CHEMBL1938680

SMILES: Clc1ccc(cc1)-c1ccc(o1)C(=O)Nc1ccc(cc1)N1CCNCC1

InChI Key: InChIKey=CAIGVNVLJGDZSF-UHFFFAOYSA-N

Data: 16 IC50  2 EC50

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 18 hits for monomerid = 50362169   
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
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50362169
PNG
(CHEMBL1938680)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)Nc1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C21H20ClN3O2/c22-16-3-1-15(2-4-16)19-9-10-20(27-19)21(26)24-17-5-7-18(8-6-17)25-13-11-23-12-14-25/h1-10,23H,11-14H2,(H,24,26)
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n/an/a 5.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MK2 using Acam peptide as substrate incubated for 30 mins prior to substrate addition measured after 10 mins using 100 uM ATP by DELFIA...


Citation and Details
More data for this
Ligand-Target Pair
CaM kinase IV


(Homo sapiens)
BDBM50362169
PNG
(CHEMBL1938680)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)Nc1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C21H20ClN3O2/c22-16-3-1-15(2-4-16)19-9-10-20(27-19)21(26)24-17-5-7-18(8-6-17)25-13-11-23-12-14-25/h1-10,23H,11-14H2,(H,24,26)
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n/an/a>3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CAMK4


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50362169
PNG
(CHEMBL1938680)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)Nc1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C21H20ClN3O2/c22-16-3-1-15(2-4-16)19-9-10-20(27-19)21(26)24-17-5-7-18(8-6-17)25-13-11-23-12-14-25/h1-10,23H,11-14H2,(H,24,26)
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n/an/a>3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CHK1


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50362169
PNG
(CHEMBL1938680)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)Nc1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C21H20ClN3O2/c22-16-3-1-15(2-4-16)19-9-10-20(27-19)21(26)24-17-5-7-18(8-6-17)25-13-11-23-12-14-25/h1-10,23H,11-14H2,(H,24,26)
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PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 using TAMRA-labeled peptide as substrate pre-incubated for 30 mins prior substrate addition measured after 30 mins incubation in da...


Bioorg Med Chem Lett 22: 1068-72 (2012)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50362169
PNG
(CHEMBL1938680)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)Nc1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C21H20ClN3O2/c22-16-3-1-15(2-4-16)19-9-10-20(27-19)21(26)24-17-5-7-18(8-6-17)25-13-11-23-12-14-25/h1-10,23H,11-14H2,(H,24,26)
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n/an/an/an/a 2.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2-mediated HSP27 phosphorylation at Ser78 in LPS-stimulated human THP-1 cells pre-incubated for 60 mins before LPS treatment measured...


Bioorg Med Chem Lett 22: 1068-72 (2012)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50362169
PNG
(CHEMBL1938680)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)Nc1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C21H20ClN3O2/c22-16-3-1-15(2-4-16)19-9-10-20(27-19)21(26)24-17-5-7-18(8-6-17)25-13-11-23-12-14-25/h1-10,23H,11-14H2,(H,24,26)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...


Bioorg Med Chem Lett 23: 3262-6 (2013)

More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50362169
PNG
(CHEMBL1938680)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)Nc1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C21H20ClN3O2/c22-16-3-1-15(2-4-16)19-9-10-20(27-19)21(26)24-17-5-7-18(8-6-17)25-13-11-23-12-14-25/h1-10,23H,11-14H2,(H,24,26)
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n/an/a>3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human MET


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MST2


(Homo sapiens (human))
BDBM50362169
PNG
(CHEMBL1938680)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)Nc1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C21H20ClN3O2/c22-16-3-1-15(2-4-16)19-9-10-20(27-19)21(26)24-17-5-7-18(8-6-17)25-13-11-23-12-14-25/h1-10,23H,11-14H2,(H,24,26)
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n/an/a>3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human MST2


Citation and Details
More data for this
Ligand-Target Pair
Testis-specific serine/threonine-protein kinase 2


(Homo sapiens)
BDBM50362169
PNG
(CHEMBL1938680)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)Nc1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C21H20ClN3O2/c22-16-3-1-15(2-4-16)19-9-10-20(27-19)21(26)24-17-5-7-18(8-6-17)25-13-11-23-12-14-25/h1-10,23H,11-14H2,(H,24,26)
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n/an/a>3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human TSSK2


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50362169
PNG
(CHEMBL1938680)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)Nc1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C21H20ClN3O2/c22-16-3-1-15(2-4-16)19-9-10-20(27-19)21(26)24-17-5-7-18(8-6-17)25-13-11-23-12-14-25/h1-10,23H,11-14H2,(H,24,26)
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n/an/a>3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ROCK2


Citation and Details
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50362169
PNG
(CHEMBL1938680)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)Nc1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C21H20ClN3O2/c22-16-3-1-15(2-4-16)19-9-10-20(27-19)21(26)24-17-5-7-18(8-6-17)25-13-11-23-12-14-25/h1-10,23H,11-14H2,(H,24,26)
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n/an/a>3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human IGF1R


Citation and Details
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM50362169
PNG
(CHEMBL1938680)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)Nc1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C21H20ClN3O2/c22-16-3-1-15(2-4-16)19-9-10-20(27-19)21(26)24-17-5-7-18(8-6-17)25-13-11-23-12-14-25/h1-10,23H,11-14H2,(H,24,26)
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n/an/a>3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human IKKB


Citation and Details
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50362169
PNG
(CHEMBL1938680)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)Nc1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C21H20ClN3O2/c22-16-3-1-15(2-4-16)19-9-10-20(27-19)21(26)24-17-5-7-18(8-6-17)25-13-11-23-12-14-25/h1-10,23H,11-14H2,(H,24,26)
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n/an/a>3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human LCK


Citation and Details
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50362169
PNG
(CHEMBL1938680)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)Nc1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C21H20ClN3O2/c22-16-3-1-15(2-4-16)19-9-10-20(27-19)21(26)24-17-5-7-18(8-6-17)25-13-11-23-12-14-25/h1-10,23H,11-14H2,(H,24,26)
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n/an/a>3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CSNK1D


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50362169
PNG
(CHEMBL1938680)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)Nc1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C21H20ClN3O2/c22-16-3-1-15(2-4-16)19-9-10-20(27-19)21(26)24-17-5-7-18(8-6-17)25-13-11-23-12-14-25/h1-10,23H,11-14H2,(H,24,26)
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n/an/a 5.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MK2 using Acam peptide as substrate incubated for 30 mins prior to substrate addition measured after 10 mins using 2 uM ATP by DELFIA a...


Citation and Details
More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50362169
PNG
(CHEMBL1938680)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)Nc1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C21H20ClN3O2/c22-16-3-1-15(2-4-16)19-9-10-20(27-19)21(26)24-17-5-7-18(8-6-17)25-13-11-23-12-14-25/h1-10,23H,11-14H2,(H,24,26)
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n/an/a>3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human AKT1


Citation and Details
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50362169
PNG
(CHEMBL1938680)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)Nc1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C21H20ClN3O2/c22-16-3-1-15(2-4-16)19-9-10-20(27-19)21(26)24-17-5-7-18(8-6-17)25-13-11-23-12-14-25/h1-10,23H,11-14H2,(H,24,26)
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n/an/a 7.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human IRAK4


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50362169
PNG
(CHEMBL1938680)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)Nc1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C21H20ClN3O2/c22-16-3-1-15(2-4-16)19-9-10-20(27-19)21(26)24-17-5-7-18(8-6-17)25-13-11-23-12-14-25/h1-10,23H,11-14H2,(H,24,26)
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n/an/an/an/a 2.00E+3n/an/an/an/a


TBA

Assay Description
Inhibition of MK2-mediated HSP27 phosphorylation in IL-1beta stimulated human SW1353 cells incubated for 30 mins prior to IL-1beta-stimulation measur...


Citation and Details
More data for this
Ligand-Target Pair