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SMILES: CS(=O)Cc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCOCC2)c2ccccc12

InChI Key: InChIKey=ZOHCTKDFWBPLPP-UHFFFAOYSA-N

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 6 hits for monomerid = 50424474   
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 2


(Homo sapiens (Human))		BDBM50424474
PNG
(CHEMBL2316383)
Show SMILES CS(=O)Cc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCOCC2)c2ccccc12
Show InChI InChI=1S/C25H27N3O4S/c1-33(31)16-18-8-9-21(20-6-3-2-5-19(18)20)24(29)28-22-7-4-12-26-23(22)25(30)27-15-17-10-13-32-14-11-17/h2-9,12,17H,10-11,13-16H2,1H3,(H,27,30)(H,28,29)
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n/an/a 2.50E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB2 receptor expressed in Sf9 cell membranes by scintillation counting analysis

J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
BindingDB Entry DOI: 10.7270/Q2057H7B
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50424474
PNG
(CHEMBL2316383)
Show SMILES CS(=O)Cc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCOCC2)c2ccccc12
Show InChI InChI=1S/C25H27N3O4S/c1-33(31)16-18-8-9-21(20-6-3-2-5-19(18)20)24(29)28-22-7-4-12-26-23(22)25(30)27-15-17-10-13-32-14-11-17/h2-9,12,17H,10-11,13-16H2,1H3,(H,27,30)(H,28,29)
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n/an/a 49n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis

J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
BindingDB Entry DOI: 10.7270/Q2057H7B
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50424474
PNG
(CHEMBL2316383)
Show SMILES CS(=O)Cc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCOCC2)c2ccccc12
Show InChI InChI=1S/C25H27N3O4S/c1-33(31)16-18-8-9-21(20-6-3-2-5-19(18)20)24(29)28-22-7-4-12-26-23(22)25(30)27-15-17-10-13-32-14-11-17/h2-9,12,17H,10-11,13-16H2,1H3,(H,27,30)(H,28,29)
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n/an/an/an/a 87n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293S cell membranes after 1 hr by GTPgamma[35S] binding assay

J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
BindingDB Entry DOI: 10.7270/Q2057H7B
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))		BDBM50424474
PNG
(CHEMBL2316383)
Show SMILES CS(=O)Cc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCOCC2)c2ccccc12
Show InChI InChI=1S/C25H27N3O4S/c1-33(31)16-18-8-9-21(20-6-3-2-5-19(18)20)24(29)28-22-7-4-12-26-23(22)25(30)27-15-17-10-13-32-14-11-17/h2-9,12,17H,10-11,13-16H2,1H3,(H,27,30)(H,28,29)
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n/an/a 1.90E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C9 expressed in Escherichia coli cells

J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
BindingDB Entry DOI: 10.7270/Q2057H7B
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50424474
PNG
(CHEMBL2316383)
Show SMILES CS(=O)Cc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCOCC2)c2ccccc12
Show InChI InChI=1S/C25H27N3O4S/c1-33(31)16-18-8-9-21(20-6-3-2-5-19(18)20)24(29)28-22-7-4-12-26-23(22)25(30)27-15-17-10-13-32-14-11-17/h2-9,12,17H,10-11,13-16H2,1H3,(H,27,30)(H,28,29)
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n/an/a>2.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 expressed in Escherichia coli cells

J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
BindingDB Entry DOI: 10.7270/Q2057H7B
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50424474
PNG
(CHEMBL2316383)
Show SMILES CS(=O)Cc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCOCC2)c2ccccc12
Show InChI InChI=1S/C25H27N3O4S/c1-33(31)16-18-8-9-21(20-6-3-2-5-19(18)20)24(29)28-22-7-4-12-26-23(22)25(30)27-15-17-10-13-32-14-11-17/h2-9,12,17H,10-11,13-16H2,1H3,(H,27,30)(H,28,29)
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n/an/a>3.20E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp assay

J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
BindingDB Entry DOI: 10.7270/Q2057H7B
More data for this
Ligand-Target Pair