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7 similar compounds to monomer 50061702

Compile data set for download or QSAR
Wt: 507.6
BDBM50061720
Wt: 450.4
BDBM50061736
Wt: 451.4
BDBM50061738
Wt: 539.6
BDBM50061713
Wt: 493.6
BDBM50061724
Wt: 457.4
BDBM50061728

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50061720,50061736,50061738,50061713,50061724,50061728   
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
Ghrelin receptor


(Homo sapiens (Human))
BDBM50061720
PNG
(CHEMBL3394199)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3cc(C)ncn3)CC2)c(c1)C#N
Show InChI InChI=1/C31H33N5O2/c1-21-13-28(34-20-33-21)24-4-7-27-23(14-24)5-8-29(27)36-18-31(19-36)9-11-35(12-10-31)30(37)16-22-3-6-26(38-2)15-25(22)17-32/h3-4,6-7,13-15,20,29H,5,8-12,16,18-19H2,1-2H3/t29-/s2
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13n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]Ghrelin from human GHS-R1a expressed in HEK293 cells after 8 hrs by SPA method


ACS Med Chem Lett 6: 156-61 (2015)


Article DOI: 10.1021/ml500414n
BindingDB Entry DOI: 10.7270/Q2N58P10
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50061713
PNG
(CHEMBL3394205)
Show SMILES CNC(=O)c1cc(OC)ccc1CC(=O)N1CCC2(CN(C2)[C@@H]2CCc3cc(ccc23)-c2cc(C)ncn2)CC1
Show InChI InChI=1/C32H37N5O3/c1-21-14-28(35-20-34-21)24-5-8-26-22(15-24)6-9-29(26)37-18-32(19-37)10-12-36(13-11-32)30(38)16-23-4-7-25(40-3)17-27(23)31(39)33-2/h4-5,7-8,14-15,17,20,29H,6,9-13,16,18-19H2,1-3H3,(H,33,39)/t29-/s2
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20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]Ghrelin from human GHS-R1a expressed in HEK293 cells after 8 hrs by SPA method


ACS Med Chem Lett 6: 156-61 (2015)


Article DOI: 10.1021/ml500414n
BindingDB Entry DOI: 10.7270/Q2N58P10
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50061724
PNG
(CHEMBL3394196)
Show SMILES Cc1cc(ncn1)-c1ccc2[C@@H](CCc2c1)N1CC2(C1)CCN(CC2)C(=O)Cc1n[nH]c2ncccc12
Show InChI InChI=1/C29H31N7O/c1-19-13-24(32-18-31-19)21-4-6-22-20(14-21)5-7-26(22)36-16-29(17-36)8-11-35(12-9-29)27(37)15-25-23-3-2-10-30-28(23)34-33-25/h2-4,6,10,13-14,18,26H,5,7-9,11-12,15-17H2,1H3,(H,30,33,34)/t26-/s2
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>50n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]Ghrelin from human GHS-R1a expressed in HEK293 cells after 8 hrs by SPA method


ACS Med Chem Lett 6: 156-61 (2015)


Article DOI: 10.1021/ml500414n
BindingDB Entry DOI: 10.7270/Q2N58P10
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50061736
PNG
(CHEMBL3394222)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1CCCOC1)-c1cccnc1F
Show InChI InChI=1/C24H20F2N4O3/c25-21-15(4-1-7-28-21)13-5-6-19-16(9-13)24(12-32-23(27)30-24)17-10-18(14-3-2-8-31-11-14)29-22(26)20(17)33-19/h1,4-7,9-10,14H,2-3,8,11-12H2,(H2,27,30)/t14?,24-/s2
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>1.50E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method


ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50061728
PNG
(CHEMBL3394214)
Show SMILES Cc1cc(ccn1)-c1cc2c(Oc3ccc(cc3[C@@]22COC(N)=N2)-c2cccnc2F)c(F)n1
Show InChI InChI=1/C25H17F2N5O2/c1-13-9-15(6-8-29-13)19-11-18-21(23(27)31-19)34-20-5-4-14(16-3-2-7-30-22(16)26)10-17(20)25(18)12-33-24(28)32-25/h2-11H,12H2,1H3,(H2,28,32)/t25-/s2
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>1.50E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method


ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50061738
PNG
(CHEMBL3394224)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)N1CCOCC1)-c1cccnc1F
Show InChI InChI=1/C23H19F2N5O3/c24-20-14(2-1-5-27-20)13-3-4-17-15(10-13)23(12-32-22(26)29-23)16-11-18(28-21(25)19(16)33-17)30-6-8-31-9-7-30/h1-5,10-11H,6-9,12H2,(H2,26,29)/t23-/s2
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>1.50E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method


ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50061728
PNG
(CHEMBL3394214)
Show SMILES Cc1cc(ccn1)-c1cc2c(Oc3ccc(cc3[C@@]22COC(N)=N2)-c2cccnc2F)c(F)n1
Show InChI InChI=1/C25H17F2N5O2/c1-13-9-15(6-8-29-13)19-11-18-21(23(27)31-19)34-20-5-4-14(16-3-2-7-30-22(16)26)10-17(20)25(18)12-33-24(28)32-25/h2-11H,12H2,1H3,(H2,28,32)/t25-/s2
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n/an/a 0.800n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 pre-incubated with enzyme for 60 mins before fluorescent substrate addition FRET method


ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50061736
PNG
(CHEMBL3394222)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1CCCOC1)-c1cccnc1F
Show InChI InChI=1/C24H20F2N4O3/c25-21-15(4-1-7-28-21)13-5-6-19-16(9-13)24(12-32-23(27)30-24)17-10-18(14-3-2-8-31-11-14)29-22(26)20(17)33-19/h1,4-7,9-10,14H,2-3,8,11-12H2,(H2,27,30)/t14?,24-/s2
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n/an/a 1n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 pre-incubated with enzyme for 60 mins before fluorescent substrate addition FRET method


ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50061738
PNG
(CHEMBL3394224)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)N1CCOCC1)-c1cccnc1F
Show InChI InChI=1/C23H19F2N5O3/c24-20-14(2-1-5-27-20)13-3-4-17-15(10-13)23(12-32-22(26)29-23)16-11-18(28-21(25)19(16)33-17)30-6-8-31-9-7-30/h1-5,10-11H,6-9,12H2,(H2,26,29)/t23-/s2
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n/an/a 0.300n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 pre-incubated with enzyme for 60 mins before fluorescent substrate addition FRET method


ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50061728
PNG
(CHEMBL3394214)
Show SMILES Cc1cc(ccn1)-c1cc2c(Oc3ccc(cc3[C@@]22COC(N)=N2)-c2cccnc2F)c(F)n1
Show InChI InChI=1/C25H17F2N5O2/c1-13-9-15(6-8-29-13)19-11-18-21(23(27)31-19)34-20-5-4-14(16-3-2-7-30-22(16)26)10-17(20)25(18)12-33-24(28)32-25/h2-11H,12H2,1H3,(H2,28,32)/t25-/s2
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n/an/a 12n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in HEK293 cells stably expressing APPSW assessed as reduction in Abeta40 level incubated overnight at 0.0005 to 10 uM by ELISA me...


ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50061736
PNG
(CHEMBL3394222)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1CCCOC1)-c1cccnc1F
Show InChI InChI=1/C24H20F2N4O3/c25-21-15(4-1-7-28-21)13-5-6-19-16(9-13)24(12-32-23(27)30-24)17-10-18(14-3-2-8-31-11-14)29-22(26)20(17)33-19/h1,4-7,9-10,14H,2-3,8,11-12H2,(H2,27,30)/t14?,24-/s2
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n/an/a 105n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in HEK293 cells stably expressing APPSW assessed as reduction in Abeta40 level incubated overnight at 0.0005 to 10 uM by ELISA me...


ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50061738
PNG
(CHEMBL3394224)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)N1CCOCC1)-c1cccnc1F
Show InChI InChI=1/C23H19F2N5O3/c24-20-14(2-1-5-27-20)13-3-4-17-15(10-13)23(12-32-22(26)29-23)16-11-18(28-21(25)19(16)33-17)30-6-8-31-9-7-30/h1-5,10-11H,6-9,12H2,(H2,26,29)/t23-/s2
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n/an/a 5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in HEK293 cells stably expressing APPSW assessed as reduction in Abeta40 level incubated overnight at 0.0005 to 10 uM by ELISA me...


ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair