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BDBM76045 1-cyclopentyl-2-imino-5-keto-N-(3-methoxypropyl)dipyrido[1,2-d:3',4'-f]pyrimidine-3-carboxamide::1-cyclopentyl-2-imino-N-(3-methoxypropyl)-5-oxo-3-dipyrido[1,2-d:3',4'-f]pyrimidinecarboxamide::1-cyclopentyl-2-imino-N-(3-methoxypropyl)-5-oxodipyrido[1,2-d:3',4'-f]pyrimidine-3-carboxamide::2-azanylidene-1-cyclopentyl-N-(3-methoxypropyl)-5-oxidanylidene-dipyrido[1,2-d:3',4'-f]pyrimidine-3-carboxamide::MLS-0437143.0001::cid_3151382

SMILES: COCCCNC(=O)c1cc2c(nc3ccccn3c2=O)n(C2CCCC2)c1=N

InChI Key: InChIKey=XNZCEUIXIZLUQA-UHFFFAOYSA-N

Data: 4 IC50  3 EC50

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 = 76045   
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))
BDBM76045
PNG
(1-cyclopentyl-2-imino-5-keto-N-(3-methoxypropyl)di...)
Show SMILES COCCCNC(=O)c1cc2c(nc3ccccn3c2=O)n(C2CCCC2)c1=N
Show InChI InChI=1S/C21H25N5O3/c1-29-12-6-10-23-20(27)15-13-16-19(26(18(15)22)14-7-2-3-8-14)24-17-9-4-5-11-25(17)21(16)28/h4-5,9,11,13-14,22H,2-3,6-8,10,12H2,1H3,(H,23,27)
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n/an/an/an/a 2.33E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Netw...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2348HTX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM76045
PNG
(1-cyclopentyl-2-imino-5-keto-N-(3-methoxypropyl)di...)
Show SMILES COCCCNC(=O)c1cc2c(nc3ccccn3c2=O)n(C2CCCC2)c1=N
Show InChI InChI=1S/C21H25N5O3/c1-29-12-6-10-23-20(27)15-13-16-19(26(18(15)22)14-7-2-3-8-14)24-17-9-4-5-11-25(17)21(16)28/h4-5,9,11,13-14,22H,2-3,6-8,10,12H2,1H3,(H,23,27)
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n/an/a>3.20E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Netw...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC81B1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM76045
PNG
(1-cyclopentyl-2-imino-5-keto-N-(3-methoxypropyl)di...)
Show SMILES COCCCNC(=O)c1cc2c(nc3ccccn3c2=O)n(C2CCCC2)c1=N
Show InChI InChI=1S/C21H25N5O3/c1-29-12-6-10-23-20(27)15-13-16-19(26(18(15)22)14-7-2-3-8-14)24-17-9-4-5-11-25(17)21(16)28/h4-5,9,11,13-14,22H,2-3,6-8,10,12H2,1H3,(H,23,27)
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n/an/an/an/a>3.20E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego) Network...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TM78KV
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM76045
PNG
(1-cyclopentyl-2-imino-5-keto-N-(3-methoxypropyl)di...)
Show SMILES COCCCNC(=O)c1cc2c(nc3ccccn3c2=O)n(C2CCCC2)c1=N
Show InChI InChI=1S/C21H25N5O3/c1-29-12-6-10-23-20(27)15-13-16-19(26(18(15)22)14-7-2-3-8-14)24-17-9-4-5-11-25(17)21(16)28/h4-5,9,11,13-14,22H,2-3,6-8,10,12H2,1H3,(H,23,27)
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n/an/a>3.20E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics(SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM76045
PNG
(1-cyclopentyl-2-imino-5-keto-N-(3-methoxypropyl)di...)
Show SMILES COCCCNC(=O)c1cc2c(nc3ccccn3c2=O)n(C2CCCC2)c1=N
Show InChI InChI=1S/C21H25N5O3/c1-29-12-6-10-23-20(27)15-13-16-19(26(18(15)22)14-7-2-3-8-14)24-17-9-4-5-11-25(17)21(16)28/h4-5,9,11,13-14,22H,2-3,6-8,10,12H2,1H3,(H,23,27)
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n/an/a>3.20E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego) Network...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K35S3P
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM76045
PNG
(1-cyclopentyl-2-imino-5-keto-N-(3-methoxypropyl)di...)
Show SMILES COCCCNC(=O)c1cc2c(nc3ccccn3c2=O)n(C2CCCC2)c1=N
Show InChI InChI=1S/C21H25N5O3/c1-29-12-6-10-23-20(27)15-13-16-19(26(18(15)22)14-7-2-3-8-14)24-17-9-4-5-11-25(17)21(16)28/h4-5,9,11,13-14,22H,2-3,6-8,10,12H2,1H3,(H,23,27)
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n/an/an/an/a>3.20E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Libr...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FB51DS
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM76045
PNG
(1-cyclopentyl-2-imino-5-keto-N-(3-methoxypropyl)di...)
Show SMILES COCCCNC(=O)c1cc2c(nc3ccccn3c2=O)n(C2CCCC2)c1=N
Show InChI InChI=1S/C21H25N5O3/c1-29-12-6-10-23-20(27)15-13-16-19(26(18(15)22)14-7-2-3-8-14)24-17-9-4-5-11-25(17)21(16)28/h4-5,9,11,13-14,22H,2-3,6-8,10,12H2,1H3,(H,23,27)
KEGG

UniProtKB/SwissProt

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PC sid
UniChem

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PCBioAssay
n/an/a>3.20E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PV6HTP
More data for this
Ligand-Target Pair