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6 similar compounds to monomer 50064639

Compile data set for download or QSAR
Wt: 448.6
BDBM50058427
Wt: 502.6
BDBM50064633
Wt: 484.6
BDBM50064627
Wt: 341.4
BDBM50064643
Wt: 466.6
BDBM50058428
Wt: 433.3
BDBM50058434

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50058427,50064633,50064627,50064643,50058428,50058434   
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


(MOUSE)
BDBM50058434
PNG
(CHEMBL3331462)
Show SMILES Cc1cc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCC2)s1
Show InChI InChI=1S/C20H18Cl2N4OS/c1-11-8-13-17(28-11)10-14-18(20(27)24-25-6-2-3-7-25)23-26(19(13)14)16-5-4-12(21)9-15(16)22/h4-5,8-9H,2-3,6-7,10H2,1H3,(H,24,27)
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38n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CD1 mouse spleen CB2 receptor by liquid scintillation counting


Eur J Med Chem 85: 747-57 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.042
BindingDB Entry DOI: 10.7270/Q2X068Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50058434
PNG
(CHEMBL3331462)
Show SMILES Cc1cc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCC2)s1
Show InChI InChI=1S/C20H18Cl2N4OS/c1-11-8-13-17(28-11)10-14-18(20(27)24-25-6-2-3-7-25)23-26(19(13)14)16-5-4-12(21)9-15(16)22/h4-5,8-9H,2-3,6-7,10H2,1H3,(H,24,27)
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1.39E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CD1 mouse brain (minus cerebellum) CB1 receptor by liquid scintillation counting


Eur J Med Chem 85: 747-57 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.042
BindingDB Entry DOI: 10.7270/Q2X068Q0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50064633
PNG
(CHEMBL3403741)
Show SMILES CCOC(=O)c1c(C)c(sc1NC(=O)c1sc(Nc2ccc(C)cc2)nc1N(C)C)C(=O)OC
Show InChI InChI=1S/C23H26N4O5S2/c1-7-32-21(29)15-13(3)16(22(30)31-6)33-20(15)26-19(28)17-18(27(4)5)25-23(34-17)24-14-10-8-12(2)9-11-14/h8-11H,7H2,1-6H3,(H,24,25)(H,26,28)
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3.91E+3n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50058428
PNG
(CHEMBL3326784)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(F)c1)CC(=O)[C@H]1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C29H39FN2O2/c1-19(2)23(14-28(34)27-13-21-8-9-26(33)12-22(21)16-31-27)18-32-11-10-29(4,20(3)17-32)24-6-5-7-25(30)15-24/h5-9,12,15,19-20,23,27,31,33H,10-11,13-14,16-18H2,1-4H3/t20-,23+,27+,29+/m0/s1
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6.25E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]astemizole from human ERG


J Med Chem 57: 7367-81 (2014)


Article DOI: 10.1021/jm5008177
BindingDB Entry DOI: 10.7270/Q21R6S5J
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50058427
PNG
(CHEMBL3326631)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1ccccc1)CC(=O)[C@H]1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C29H40N2O2/c1-20(2)24(16-28(33)27-15-22-10-11-26(32)14-23(22)17-30-27)19-31-13-12-29(4,21(3)18-31)25-8-6-5-7-9-25/h5-11,14,20-21,24,27,30,32H,12-13,15-19H2,1-4H3/t21-,24+,27+,29+/m0/s1
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7.05E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]astemizole from human ERG


J Med Chem 57: 7367-81 (2014)


Article DOI: 10.1021/jm5008177
BindingDB Entry DOI: 10.7270/Q21R6S5J
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50064627
PNG
(CHEMBL3403735)
Show SMILES Cc1ccc(Nc2nc(c(s2)C(=O)Nc2sc3CCCCc3c2C#N)-c2ccc(C)cc2)cc1
Show InChI InChI=1S/C27H24N4OS2/c1-16-7-11-18(12-8-16)23-24(34-27(30-23)29-19-13-9-17(2)10-14-19)25(32)31-26-21(15-28)20-5-3-4-6-22(20)33-26/h7-14H,3-6H2,1-2H3,(H,29,30)(H,31,32)
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>1.00E+4n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50064627
PNG
(CHEMBL3403735)
Show SMILES Cc1ccc(Nc2nc(c(s2)C(=O)Nc2sc3CCCCc3c2C#N)-c2ccc(C)cc2)cc1
Show InChI InChI=1S/C27H24N4OS2/c1-16-7-11-18(12-8-16)23-24(34-27(30-23)29-19-13-9-17(2)10-14-19)25(32)31-26-21(15-28)20-5-3-4-6-22(20)33-26/h7-14H,3-6H2,1-2H3,(H,29,30)(H,31,32)
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>1.00E+4n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50064627
PNG
(CHEMBL3403735)
Show SMILES Cc1ccc(Nc2nc(c(s2)C(=O)Nc2sc3CCCCc3c2C#N)-c2ccc(C)cc2)cc1
Show InChI InChI=1S/C27H24N4OS2/c1-16-7-11-18(12-8-16)23-24(34-27(30-23)29-19-13-9-17(2)10-14-19)25(32)31-26-21(15-28)20-5-3-4-6-22(20)33-26/h7-14H,3-6H2,1-2H3,(H,29,30)(H,31,32)
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>1.00E+4n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50064633
PNG
(CHEMBL3403741)
Show SMILES CCOC(=O)c1c(C)c(sc1NC(=O)c1sc(Nc2ccc(C)cc2)nc1N(C)C)C(=O)OC
Show InChI InChI=1S/C23H26N4O5S2/c1-7-32-21(29)15-13(3)16(22(30)31-6)33-20(15)26-19(28)17-18(27(4)5)25-23(34-17)24-14-10-8-12(2)9-11-14/h8-11H,7H2,1-6H3,(H,24,25)(H,26,28)
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1.90E+4n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50064633
PNG
(CHEMBL3403741)
Show SMILES CCOC(=O)c1c(C)c(sc1NC(=O)c1sc(Nc2ccc(C)cc2)nc1N(C)C)C(=O)OC
Show InChI InChI=1S/C23H26N4O5S2/c1-7-32-21(29)15-13(3)16(22(30)31-6)33-20(15)26-19(28)17-18(27(4)5)25-23(34-17)24-14-10-8-12(2)9-11-14/h8-11H,7H2,1-6H3,(H,24,25)(H,26,28)
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2.66E+4n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 88


(Homo sapiens (Human))
BDBM50064643
PNG
(CHEMBL3403766)
Show SMILES CC(C)COc1ccc(cc1)[C@H](CO)NC(=O)[C@@H](C)c1ccccc1
Show InChI InChI=1S/C21H27NO3/c1-15(2)14-25-19-11-9-18(10-12-19)20(13-23)22-21(24)16(3)17-7-5-4-6-8-17/h4-12,15-16,20,23H,13-14H2,1-3H3,(H,22,24)/t16-,20-/m0/s1
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n/an/an/an/a 500n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...


Bioorg Med Chem Lett 25: 1448-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.036
BindingDB Entry DOI: 10.7270/Q2G44RZH
More data for this
Ligand-Target Pair