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BDBM50331238 4-(benzyloxy)-1-(1-((4,5-dihydro-1H-imidazol-2-yl)methyl)-1H-indazol-5-yl)pyridin-2(1H)-one::CHEMBL1289053

SMILES: O=c1cc(OCc2ccccc2)ccn1-c1ccc2n(CC3=NCCN3)ncc2c1

InChI Key: InChIKey=VAXDISKYVOZCHP-UHFFFAOYSA-N

Data: 1 KI  7 IC50

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 8 hits for monomerid = 50331238   
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
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50331238
PNG
(4-(benzyloxy)-1-(1-((4,5-dihydro-1H-imidazol-2-yl)...)
Show SMILES O=c1cc(OCc2ccccc2)ccn1-c1ccc2n(CC3=NCCN3)ncc2c1 |t:23|
Show InChI InChI=1S/C23H21N5O2/c29-23-13-20(30-16-17-4-2-1-3-5-17)8-11-27(23)19-6-7-21-18(12-19)14-26-28(21)15-22-24-9-10-25-22/h1-8,11-14H,9-10,15-16H2,(H,24,25)
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22.6n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 20: 7015-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.039
BindingDB Entry DOI: 10.7270/Q2P55NSM
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50331238
PNG
(4-(benzyloxy)-1-(1-((4,5-dihydro-1H-imidazol-2-yl)...)
Show SMILES O=c1cc(OCc2ccccc2)ccn1-c1ccc2n(CC3=NCCN3)ncc2c1 |t:23|
Show InChI InChI=1S/C23H21N5O2/c29-23-13-20(30-16-17-4-2-1-3-5-17)8-11-27(23)19-6-7-21-18(12-19)14-26-28(21)15-22-24-9-10-25-22/h1-8,11-14H,9-10,15-16H2,(H,24,25)
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 20: 7015-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.039
BindingDB Entry DOI: 10.7270/Q2P55NSM
More data for this
Ligand-Target Pair
Cytochrome P450 2B6


(Homo sapiens (Human))
BDBM50331238
PNG
(4-(benzyloxy)-1-(1-((4,5-dihydro-1H-imidazol-2-yl)...)
Show SMILES O=c1cc(OCc2ccccc2)ccn1-c1ccc2n(CC3=NCCN3)ncc2c1 |t:23|
Show InChI InChI=1S/C23H21N5O2/c29-23-13-20(30-16-17-4-2-1-3-5-17)8-11-27(23)19-6-7-21-18(12-19)14-26-28(21)15-22-24-9-10-25-22/h1-8,11-14H,9-10,15-16H2,(H,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of CYP2B6


Bioorg Med Chem Lett 20: 7015-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.039
BindingDB Entry DOI: 10.7270/Q2P55NSM
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50331238
PNG
(4-(benzyloxy)-1-(1-((4,5-dihydro-1H-imidazol-2-yl)...)
Show SMILES O=c1cc(OCc2ccccc2)ccn1-c1ccc2n(CC3=NCCN3)ncc2c1 |t:23|
Show InChI InChI=1S/C23H21N5O2/c29-23-13-20(30-16-17-4-2-1-3-5-17)8-11-27(23)19-6-7-21-18(12-19)14-26-28(21)15-22-24-9-10-25-22/h1-8,11-14H,9-10,15-16H2,(H,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 20: 7015-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.039
BindingDB Entry DOI: 10.7270/Q2P55NSM
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50331238
PNG
(4-(benzyloxy)-1-(1-((4,5-dihydro-1H-imidazol-2-yl)...)
Show SMILES O=c1cc(OCc2ccccc2)ccn1-c1ccc2n(CC3=NCCN3)ncc2c1 |t:23|
Show InChI InChI=1S/C23H21N5O2/c29-23-13-20(30-16-17-4-2-1-3-5-17)8-11-27(23)19-6-7-21-18(12-19)14-26-28(21)15-22-24-9-10-25-22/h1-8,11-14H,9-10,15-16H2,(H,24,25)
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n/an/a 8.50E+3n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK cells by mini-patch clamp assay


Bioorg Med Chem Lett 20: 7015-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.039
BindingDB Entry DOI: 10.7270/Q2P55NSM
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50331238
PNG
(4-(benzyloxy)-1-(1-((4,5-dihydro-1H-imidazol-2-yl)...)
Show SMILES O=c1cc(OCc2ccccc2)ccn1-c1ccc2n(CC3=NCCN3)ncc2c1 |t:23|
Show InChI InChI=1S/C23H21N5O2/c29-23-13-20(30-16-17-4-2-1-3-5-17)8-11-27(23)19-6-7-21-18(12-19)14-26-28(21)15-22-24-9-10-25-22/h1-8,11-14H,9-10,15-16H2,(H,24,25)
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n/an/a 3.80E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 20: 7015-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.039
BindingDB Entry DOI: 10.7270/Q2P55NSM
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50331238
PNG
(4-(benzyloxy)-1-(1-((4,5-dihydro-1H-imidazol-2-yl)...)
Show SMILES O=c1cc(OCc2ccccc2)ccn1-c1ccc2n(CC3=NCCN3)ncc2c1 |t:23|
Show InChI InChI=1S/C23H21N5O2/c29-23-13-20(30-16-17-4-2-1-3-5-17)8-11-27(23)19-6-7-21-18(12-19)14-26-28(21)15-22-24-9-10-25-22/h1-8,11-14H,9-10,15-16H2,(H,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


Bioorg Med Chem Lett 20: 7015-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.039
BindingDB Entry DOI: 10.7270/Q2P55NSM
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50331238
PNG
(4-(benzyloxy)-1-(1-((4,5-dihydro-1H-imidazol-2-yl)...)
Show SMILES O=c1cc(OCc2ccccc2)ccn1-c1ccc2n(CC3=NCCN3)ncc2c1 |t:23|
Show InChI InChI=1S/C23H21N5O2/c29-23-13-20(30-16-17-4-2-1-3-5-17)8-11-27(23)19-6-7-21-18(12-19)14-26-28(21)15-22-24-9-10-25-22/h1-8,11-14H,9-10,15-16H2,(H,24,25)
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


Bioorg Med Chem Lett 20: 7015-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.039
BindingDB Entry DOI: 10.7270/Q2P55NSM
More data for this
Ligand-Target Pair