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BDBM50331170 4-(2,4-dichlorophenyl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one::CHEMBL1290150

SMILES: Clc1ccc(c(Cl)c1)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1

InChI Key: InChIKey=NIAQGSGCZRZBSG-UHFFFAOYSA-N

Data: 1 KI  6 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 7 hits for monomerid = 50331170   
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))
BDBM50331170
PNG
(4-(2,4-dichlorophenyl)-1-(1-(2-(pyrrolidin-1-yl)et...)
Show SMILES Clc1ccc(c(Cl)c1)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1
Show InChI InChI=1S/C24H22Cl2N4O/c25-19-3-5-21(22(26)15-19)17-7-10-29(24(31)14-17)20-4-6-23-18(13-20)16-27-30(23)12-11-28-8-1-2-9-28/h3-7,10,13-16H,1-2,8-9,11-12H2
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3.40n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]GW803430 from MCH-1 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 20: 7020-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50331170
PNG
(4-(2,4-dichlorophenyl)-1-(1-(2-(pyrrolidin-1-yl)et...)
Show SMILES Clc1ccc(c(Cl)c1)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1
Show InChI InChI=1S/C24H22Cl2N4O/c25-19-3-5-21(22(26)15-19)17-7-10-29(24(31)14-17)20-4-6-23-18(13-20)16-27-30(23)12-11-28-8-1-2-9-28/h3-7,10,13-16H,1-2,8-9,11-12H2
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n/an/a 1.70E+3n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 20: 7020-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50331170
PNG
(4-(2,4-dichlorophenyl)-1-(1-(2-(pyrrolidin-1-yl)et...)
Show SMILES Clc1ccc(c(Cl)c1)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1
Show InChI InChI=1S/C24H22Cl2N4O/c25-19-3-5-21(22(26)15-19)17-7-10-29(24(31)14-17)20-4-6-23-18(13-20)16-27-30(23)12-11-28-8-1-2-9-28/h3-7,10,13-16H,1-2,8-9,11-12H2
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n/an/a>1.00E+7n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 20: 7020-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR
More data for this
Ligand-Target Pair
Cytochrome P450 2B6


(Homo sapiens (Human))
BDBM50331170
PNG
(4-(2,4-dichlorophenyl)-1-(1-(2-(pyrrolidin-1-yl)et...)
Show SMILES Clc1ccc(c(Cl)c1)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1
Show InChI InChI=1S/C24H22Cl2N4O/c25-19-3-5-21(22(26)15-19)17-7-10-29(24(31)14-17)20-4-6-23-18(13-20)16-27-30(23)12-11-28-8-1-2-9-28/h3-7,10,13-16H,1-2,8-9,11-12H2
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n/an/a>1.00E+7n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of CYP2B6


Bioorg Med Chem Lett 20: 7020-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50331170
PNG
(4-(2,4-dichlorophenyl)-1-(1-(2-(pyrrolidin-1-yl)et...)
Show SMILES Clc1ccc(c(Cl)c1)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1
Show InChI InChI=1S/C24H22Cl2N4O/c25-19-3-5-21(22(26)15-19)17-7-10-29(24(31)14-17)20-4-6-23-18(13-20)16-27-30(23)12-11-28-8-1-2-9-28/h3-7,10,13-16H,1-2,8-9,11-12H2
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n/an/a>1.00E+7n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 20: 7020-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50331170
PNG
(4-(2,4-dichlorophenyl)-1-(1-(2-(pyrrolidin-1-yl)et...)
Show SMILES Clc1ccc(c(Cl)c1)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1
Show InChI InChI=1S/C24H22Cl2N4O/c25-19-3-5-21(22(26)15-19)17-7-10-29(24(31)14-17)20-4-6-23-18(13-20)16-27-30(23)12-11-28-8-1-2-9-28/h3-7,10,13-16H,1-2,8-9,11-12H2
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n/an/a 4.00E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


Bioorg Med Chem Lett 20: 7020-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50331170
PNG
(4-(2,4-dichlorophenyl)-1-(1-(2-(pyrrolidin-1-yl)et...)
Show SMILES Clc1ccc(c(Cl)c1)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1
Show InChI InChI=1S/C24H22Cl2N4O/c25-19-3-5-21(22(26)15-19)17-7-10-29(24(31)14-17)20-4-6-23-18(13-20)16-27-30(23)12-11-28-8-1-2-9-28/h3-7,10,13-16H,1-2,8-9,11-12H2
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n/an/a>1.00E+7n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


Bioorg Med Chem Lett 20: 7020-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR
More data for this
Ligand-Target Pair