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BDBM50417192 CHEMBL1271476

SMILES: CCc1cccc(NC(=O)Nc2cccn(Cc3ccccc3Cl)c2=O)c1

InChI Key: InChIKey=MYTRTEZPNKENOK-UHFFFAOYSA-N

Data: 9 KI

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 9 hits for monomerid = 50417192   
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
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50417192
PNG
(CHEMBL1271476)
Show SMILES CCc1cccc(NC(=O)Nc2cccn(Cc3ccccc3Cl)c2=O)c1
Show InChI InChI=1S/C21H20ClN3O2/c1-2-15-7-5-9-17(13-15)23-21(27)24-19-11-6-12-25(20(19)26)14-16-8-3-4-10-18(16)22/h3-13H,2,14H2,1H3,(H2,23,24,27)
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50.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in human U2OS cells assessed as inhibition of PGE2-induced intracellular calcium mobilization by ...


Bioorg Med Chem Lett 20: 6744-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.137
BindingDB Entry DOI: 10.7270/Q25M65Z8
More data for this
Ligand-Target Pair
PTGER2


(RAT)
BDBM50417192
PNG
(CHEMBL1271476)
Show SMILES CCc1cccc(NC(=O)Nc2cccn(Cc3ccccc3Cl)c2=O)c1
Show InChI InChI=1S/C21H20ClN3O2/c1-2-15-7-5-9-17(13-15)23-21(27)24-19-11-6-12-25(20(19)26)14-16-8-3-4-10-18(16)22/h3-13H,2,14H2,1H3,(H2,23,24,27)
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158n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of rat EP3 receptor


Bioorg Med Chem Lett 20: 6744-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.137
BindingDB Entry DOI: 10.7270/Q25M65Z8
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50417192
PNG
(CHEMBL1271476)
Show SMILES CCc1cccc(NC(=O)Nc2cccn(Cc3ccccc3Cl)c2=O)c1
Show InChI InChI=1S/C21H20ClN3O2/c1-2-15-7-5-9-17(13-15)23-21(27)24-19-11-6-12-25(20(19)26)14-16-8-3-4-10-18(16)22/h3-13H,2,14H2,1H3,(H2,23,24,27)
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2.00E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


Bioorg Med Chem Lett 20: 6744-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.137
BindingDB Entry DOI: 10.7270/Q25M65Z8
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50417192
PNG
(CHEMBL1271476)
Show SMILES CCc1cccc(NC(=O)Nc2cccn(Cc3ccccc3Cl)c2=O)c1
Show InChI InChI=1S/C21H20ClN3O2/c1-2-15-7-5-9-17(13-15)23-21(27)24-19-11-6-12-25(20(19)26)14-16-8-3-4-10-18(16)22/h3-13H,2,14H2,1H3,(H2,23,24,27)
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>1.00E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radioligand from human EP1 receptor


Bioorg Med Chem Lett 20: 6744-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.137
BindingDB Entry DOI: 10.7270/Q25M65Z8
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50417192
PNG
(CHEMBL1271476)
Show SMILES CCc1cccc(NC(=O)Nc2cccn(Cc3ccccc3Cl)c2=O)c1
Show InChI InChI=1S/C21H20ClN3O2/c1-2-15-7-5-9-17(13-15)23-21(27)24-19-11-6-12-25(20(19)26)14-16-8-3-4-10-18(16)22/h3-13H,2,14H2,1H3,(H2,23,24,27)
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>1.00E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radioligand from human EP4 receptor


Bioorg Med Chem Lett 20: 6744-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.137
BindingDB Entry DOI: 10.7270/Q25M65Z8
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50417192
PNG
(CHEMBL1271476)
Show SMILES CCc1cccc(NC(=O)Nc2cccn(Cc3ccccc3Cl)c2=O)c1
Show InChI InChI=1S/C21H20ClN3O2/c1-2-15-7-5-9-17(13-15)23-21(27)24-19-11-6-12-25(20(19)26)14-16-8-3-4-10-18(16)22/h3-13H,2,14H2,1H3,(H2,23,24,27)
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>1.00E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radioligand from human TP receptor


Bioorg Med Chem Lett 20: 6744-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.137
BindingDB Entry DOI: 10.7270/Q25M65Z8
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50417192
PNG
(CHEMBL1271476)
Show SMILES CCc1cccc(NC(=O)Nc2cccn(Cc3ccccc3Cl)c2=O)c1
Show InChI InChI=1S/C21H20ClN3O2/c1-2-15-7-5-9-17(13-15)23-21(27)24-19-11-6-12-25(20(19)26)14-16-8-3-4-10-18(16)22/h3-13H,2,14H2,1H3,(H2,23,24,27)
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>1.00E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radioligand from human EP2 receptor


Bioorg Med Chem Lett 20: 6744-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.137
BindingDB Entry DOI: 10.7270/Q25M65Z8
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50417192
PNG
(CHEMBL1271476)
Show SMILES CCc1cccc(NC(=O)Nc2cccn(Cc3ccccc3Cl)c2=O)c1
Show InChI InChI=1S/C21H20ClN3O2/c1-2-15-7-5-9-17(13-15)23-21(27)24-19-11-6-12-25(20(19)26)14-16-8-3-4-10-18(16)22/h3-13H,2,14H2,1H3,(H2,23,24,27)
UniProtKB/SwissProt

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>1.00E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radioligand from human FP receptor


Bioorg Med Chem Lett 20: 6744-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.137
BindingDB Entry DOI: 10.7270/Q25M65Z8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50417192
PNG
(CHEMBL1271476)
Show SMILES CCc1cccc(NC(=O)Nc2cccn(Cc3ccccc3Cl)c2=O)c1
Show InChI InChI=1S/C21H20ClN3O2/c1-2-15-7-5-9-17(13-15)23-21(27)24-19-11-6-12-25(20(19)26)14-16-8-3-4-10-18(16)22/h3-13H,2,14H2,1H3,(H2,23,24,27)
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>1.00E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG


Bioorg Med Chem Lett 20: 6744-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.137
BindingDB Entry DOI: 10.7270/Q25M65Z8
More data for this
Ligand-Target Pair