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PubMed code 20189815

Compile data set for download or QSAR
Found 20 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50308541
PNG
(7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c12
Show InChI InChI=1S/C24H27FN2O4/c1-3-4-5-14-31-22-20(30-2)11-8-17-15-19(24(29)27-21(17)22)23(28)26-13-12-16-6-9-18(25)10-7-16/h6-11,15H,3-5,12-14H2,1-2H3,(H,26,28)(H,27,29)
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PubMed
5.40n/an/an/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor


Bioorg Med Chem 18: 2099-106 (2010)


Article DOI: 10.1016/j.bmc.2010.02.011
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50308537
PNG
(7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccccc3)c(=O)[nH]c12
Show InChI InChI=1S/C24H28N2O4/c1-3-4-8-15-30-22-20(29-2)12-11-18-16-19(24(28)26-21(18)22)23(27)25-14-13-17-9-6-5-7-10-17/h5-7,9-12,16H,3-4,8,13-15H2,1-2H3,(H,25,27)(H,26,28)
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6.92n/an/an/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor


Bioorg Med Chem 18: 2099-106 (2010)


Article DOI: 10.1016/j.bmc.2010.02.011
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50308538
PNG
(7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(Cl)cc3)c(=O)[nH]c12
Show InChI InChI=1S/C24H27ClN2O4/c1-3-4-5-14-31-22-20(30-2)11-8-17-15-19(24(29)27-21(17)22)23(28)26-13-12-16-6-9-18(25)10-7-16/h6-11,15H,3-5,12-14H2,1-2H3,(H,26,28)(H,27,29)
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9.37n/an/an/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor


Bioorg Med Chem 18: 2099-106 (2010)


Article DOI: 10.1016/j.bmc.2010.02.011
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50308539
PNG
(7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCCc3ccccc3)c(=O)[nH]c12
Show InChI InChI=1S/C25H30N2O4/c1-3-4-8-16-31-23-21(30-2)14-13-19-17-20(25(29)27-22(19)23)24(28)26-15-9-12-18-10-6-5-7-11-18/h5-7,10-11,13-14,17H,3-4,8-9,12,15-16H2,1-2H3,(H,26,28)(H,27,29)
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10.3n/an/an/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor


Bioorg Med Chem 18: 2099-106 (2010)


Article DOI: 10.1016/j.bmc.2010.02.011
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50308546
PNG
(2-Chloro-7-methoxy-8-pentyloxy-1-quinoline-3-carbo...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(Cl)nc12
Show InChI InChI=1S/C24H26ClFN2O3/c1-3-4-5-14-31-22-20(30-2)11-8-17-15-19(23(25)28-21(17)22)24(29)27-13-12-16-6-9-18(26)10-7-16/h6-11,15H,3-5,12-14H2,1-2H3,(H,27,29)
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23.8n/an/an/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor


Bioorg Med Chem 18: 2099-106 (2010)


Article DOI: 10.1016/j.bmc.2010.02.011
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50308540
PNG
(7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(OC)cc3)c(=O)[nH]c12
Show InChI InChI=1S/C25H30N2O5/c1-4-5-6-15-32-23-21(31-3)12-9-18-16-20(25(29)27-22(18)23)24(28)26-14-13-17-7-10-19(30-2)11-8-17/h7-12,16H,4-6,13-15H2,1-3H3,(H,26,28)(H,27,29)
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27.9n/an/an/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor


Bioorg Med Chem 18: 2099-106 (2010)


Article DOI: 10.1016/j.bmc.2010.02.011
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50308537
PNG
(7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccccc3)c(=O)[nH]c12
Show InChI InChI=1S/C24H28N2O4/c1-3-4-8-15-30-22-20(29-2)12-11-18-16-19(24(28)26-21(18)22)23(27)25-14-13-17-9-6-5-7-10-17/h5-7,9-12,16H,3-4,8,13-15H2,1-2H3,(H,25,27)(H,26,28)
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196n/an/an/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor


Bioorg Med Chem 18: 2099-106 (2010)


Article DOI: 10.1016/j.bmc.2010.02.011
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50308539
PNG
(7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCCc3ccccc3)c(=O)[nH]c12
Show InChI InChI=1S/C25H30N2O4/c1-3-4-8-16-31-23-21(30-2)14-13-19-17-20(25(29)27-22(19)23)24(28)26-15-9-12-18-10-6-5-7-11-18/h5-7,10-11,13-14,17H,3-4,8-9,12,15-16H2,1-2H3,(H,26,28)(H,27,29)
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323n/an/an/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor


Bioorg Med Chem 18: 2099-106 (2010)


Article DOI: 10.1016/j.bmc.2010.02.011
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50308542
PNG
(2-Chloro-7-methoxy-8-pentyloxy-1-quinoline-3-carbo...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccccc3)c(Cl)nc12
Show InChI InChI=1S/C24H27ClN2O3/c1-3-4-8-15-30-22-20(29-2)12-11-18-16-19(23(25)27-21(18)22)24(28)26-14-13-17-9-6-5-7-10-17/h5-7,9-12,16H,3-4,8,13-15H2,1-2H3,(H,26,28)
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497n/an/an/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor


Bioorg Med Chem 18: 2099-106 (2010)


Article DOI: 10.1016/j.bmc.2010.02.011
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50308540
PNG
(7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(OC)cc3)c(=O)[nH]c12
Show InChI InChI=1S/C25H30N2O5/c1-4-5-6-15-32-23-21(31-3)12-9-18-16-20(25(29)27-22(18)23)24(28)26-14-13-17-7-10-19(30-2)11-8-17/h7-12,16H,4-6,13-15H2,1-3H3,(H,26,28)(H,27,29)
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733n/an/an/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor


Bioorg Med Chem 18: 2099-106 (2010)


Article DOI: 10.1016/j.bmc.2010.02.011
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50308543
PNG
(2-Chloro-7-methoxy-8-pentyloxy-1-quinoline-3-carbo...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(Cl)cc3)c(Cl)nc12
Show InChI InChI=1S/C24H26Cl2N2O3/c1-3-4-5-14-31-22-20(30-2)11-8-17-15-19(23(26)28-21(17)22)24(29)27-13-12-16-6-9-18(25)10-7-16/h6-11,15H,3-5,12-14H2,1-2H3,(H,27,29)
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1.01E+3n/an/an/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor


Bioorg Med Chem 18: 2099-106 (2010)


Article DOI: 10.1016/j.bmc.2010.02.011
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50308544
PNG
(2-Chloro-7-methoxy-8-pentyloxy-1-quinoline-3-carbo...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCCc3ccccc3)c(Cl)nc12
Show InChI InChI=1S/C25H29ClN2O3/c1-3-4-8-16-31-23-21(30-2)14-13-19-17-20(24(26)28-22(19)23)25(29)27-15-9-12-18-10-6-5-7-11-18/h5-7,10-11,13-14,17H,3-4,8-9,12,15-16H2,1-2H3,(H,27,29)
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1.07E+3n/an/an/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor


Bioorg Med Chem 18: 2099-106 (2010)


Article DOI: 10.1016/j.bmc.2010.02.011
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50308545
PNG
(2-Chloro-7-methoxy-8-pentyloxy-1-quinoline-3-carbo...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(OC)cc3)c(Cl)nc12
Show InChI InChI=1S/C25H29ClN2O4/c1-4-5-6-15-32-23-21(31-3)12-9-18-16-20(24(26)28-22(18)23)25(29)27-14-13-17-7-10-19(30-2)11-8-17/h7-12,16H,4-6,13-15H2,1-3H3,(H,27,29)
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1.33E+3n/an/an/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor


Bioorg Med Chem 18: 2099-106 (2010)


Article DOI: 10.1016/j.bmc.2010.02.011
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50308546
PNG
(2-Chloro-7-methoxy-8-pentyloxy-1-quinoline-3-carbo...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(Cl)nc12
Show InChI InChI=1S/C24H26ClFN2O3/c1-3-4-5-14-31-22-20(30-2)11-8-17-15-19(23(25)28-21(17)22)24(29)27-13-12-16-6-9-18(26)10-7-16/h6-11,15H,3-5,12-14H2,1-2H3,(H,27,29)
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2.88E+3n/an/an/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor


Bioorg Med Chem 18: 2099-106 (2010)


Article DOI: 10.1016/j.bmc.2010.02.011
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50308543
PNG
(2-Chloro-7-methoxy-8-pentyloxy-1-quinoline-3-carbo...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(Cl)cc3)c(Cl)nc12
Show InChI InChI=1S/C24H26Cl2N2O3/c1-3-4-5-14-31-22-20(30-2)11-8-17-15-19(23(26)28-21(17)22)24(29)27-13-12-16-6-9-18(25)10-7-16/h6-11,15H,3-5,12-14H2,1-2H3,(H,27,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor


Bioorg Med Chem 18: 2099-106 (2010)


Article DOI: 10.1016/j.bmc.2010.02.011
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50308545
PNG
(2-Chloro-7-methoxy-8-pentyloxy-1-quinoline-3-carbo...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(OC)cc3)c(Cl)nc12
Show InChI InChI=1S/C25H29ClN2O4/c1-4-5-6-15-32-23-21(31-3)12-9-18-16-20(24(26)28-22(18)23)25(29)27-14-13-17-7-10-19(30-2)11-8-17/h7-12,16H,4-6,13-15H2,1-3H3,(H,27,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor


Bioorg Med Chem 18: 2099-106 (2010)


Article DOI: 10.1016/j.bmc.2010.02.011
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50308541
PNG
(7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c12
Show InChI InChI=1S/C24H27FN2O4/c1-3-4-5-14-31-22-20(30-2)11-8-17-15-19(24(29)27-21(17)22)23(28)26-13-12-16-6-9-18(25)10-7-16/h6-11,15H,3-5,12-14H2,1-2H3,(H,26,28)(H,27,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor


Bioorg Med Chem 18: 2099-106 (2010)


Article DOI: 10.1016/j.bmc.2010.02.011
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50308544
PNG
(2-Chloro-7-methoxy-8-pentyloxy-1-quinoline-3-carbo...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCCc3ccccc3)c(Cl)nc12
Show InChI InChI=1S/C25H29ClN2O3/c1-3-4-8-16-31-23-21(30-2)14-13-19-17-20(24(26)28-22(19)23)25(29)27-15-9-12-18-10-6-5-7-11-18/h5-7,10-11,13-14,17H,3-4,8-9,12,15-16H2,1-2H3,(H,27,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor


Bioorg Med Chem 18: 2099-106 (2010)


Article DOI: 10.1016/j.bmc.2010.02.011
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50308538
PNG
(7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(Cl)cc3)c(=O)[nH]c12
Show InChI InChI=1S/C24H27ClN2O4/c1-3-4-5-14-31-22-20(30-2)11-8-17-15-19(24(29)27-21(17)22)23(28)26-13-12-16-6-9-18(25)10-7-16/h6-11,15H,3-5,12-14H2,1-2H3,(H,26,28)(H,27,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor


Bioorg Med Chem 18: 2099-106 (2010)


Article DOI: 10.1016/j.bmc.2010.02.011
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50308542
PNG
(2-Chloro-7-methoxy-8-pentyloxy-1-quinoline-3-carbo...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccccc3)c(Cl)nc12
Show InChI InChI=1S/C24H27ClN2O3/c1-3-4-8-15-30-22-20(29-2)12-11-18-16-19(23(25)27-21(18)22)24(28)26-14-13-17-9-6-5-7-10-17/h5-7,9-12,16H,3-4,8,13-15H2,1-2H3,(H,26,28)
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PC cid
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UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor


Bioorg Med Chem 18: 2099-106 (2010)


Article DOI: 10.1016/j.bmc.2010.02.011
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%