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BDBM50301735 1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(1-isopropyl-1H-imidazol-4-yl)-4-methyl-1H-pyrazole::CHEMBL584261

SMILES: CC(C)n1cnc(c1)-c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccccc1Cl

InChI Key: InChIKey=NKBQZUQMWOWSFW-UHFFFAOYSA-N

Data: 2 KI  5 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 = 50301735   
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
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50301735
PNG
(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(1-isoprop...)
Show SMILES CC(C)n1cnc(c1)-c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccccc1Cl
Show InChI InChI=1S/C22H20Cl2N4/c1-14(2)27-12-19(25-13-27)21-15(3)22(16-8-10-17(23)11-9-16)28(26-21)20-7-5-4-6-18(20)24/h4-14H,1-3H3
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5.30n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor


Bioorg Med Chem Lett 19: 5351-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.130
BindingDB Entry DOI: 10.7270/Q2KP827S
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50301735
PNG
(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(1-isoprop...)
Show SMILES CC(C)n1cnc(c1)-c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccccc1Cl
Show InChI InChI=1S/C22H20Cl2N4/c1-14(2)27-12-19(25-13-27)21-15(3)22(16-8-10-17(23)11-9-16)28(26-21)20-7-5-4-6-18(20)24/h4-14H,1-3H3
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7.60n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor transfected in CHO-K1cells by GTPgamma[35S] binding assay


Bioorg Med Chem Lett 19: 5351-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.130
BindingDB Entry DOI: 10.7270/Q2KP827S
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50301735
PNG
(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(1-isoprop...)
Show SMILES CC(C)n1cnc(c1)-c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccccc1Cl
Show InChI InChI=1S/C22H20Cl2N4/c1-14(2)27-12-19(25-13-27)21-15(3)22(16-8-10-17(23)11-9-16)28(26-21)20-7-5-4-6-18(20)24/h4-14H,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


Bioorg Med Chem Lett 19: 5351-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.130
BindingDB Entry DOI: 10.7270/Q2KP827S
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50301735
PNG
(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(1-isoprop...)
Show SMILES CC(C)n1cnc(c1)-c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccccc1Cl
Show InChI InChI=1S/C22H20Cl2N4/c1-14(2)27-12-19(25-13-27)21-15(3)22(16-8-10-17(23)11-9-16)28(26-21)20-7-5-4-6-18(20)24/h4-14H,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 19: 5351-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.130
BindingDB Entry DOI: 10.7270/Q2KP827S
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50301735
PNG
(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(1-isoprop...)
Show SMILES CC(C)n1cnc(c1)-c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccccc1Cl
Show InChI InChI=1S/C22H20Cl2N4/c1-14(2)27-12-19(25-13-27)21-15(3)22(16-8-10-17(23)11-9-16)28(26-21)20-7-5-4-6-18(20)24/h4-14H,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


Bioorg Med Chem Lett 19: 5351-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.130
BindingDB Entry DOI: 10.7270/Q2KP827S
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50301735
PNG
(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(1-isoprop...)
Show SMILES CC(C)n1cnc(c1)-c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccccc1Cl
Show InChI InChI=1S/C22H20Cl2N4/c1-14(2)27-12-19(25-13-27)21-15(3)22(16-8-10-17(23)11-9-16)28(26-21)20-7-5-4-6-18(20)24/h4-14H,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 19: 5351-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.130
BindingDB Entry DOI: 10.7270/Q2KP827S
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50301735
PNG
(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(1-isoprop...)
Show SMILES CC(C)n1cnc(c1)-c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccccc1Cl
Show InChI InChI=1S/C22H20Cl2N4/c1-14(2)27-12-19(25-13-27)21-15(3)22(16-8-10-17(23)11-9-16)28(26-21)20-7-5-4-6-18(20)24/h4-14H,1-3H3
PDB

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



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 19: 5351-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.130
BindingDB Entry DOI: 10.7270/Q2KP827S
More data for this
Ligand-Target Pair