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46 molecules are shown

Wt: 403.9
BDBM89151
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Wt: 393.4
BDBM89152
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Wt: 396.5
BDBM89154
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Wt: 432.9
BDBM89156
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Wt: 414.4
BDBM89157
Wt: 394.4
BDBM89158
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Wt: 319.3
BDBM89159
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Wt: 376.5
BDBM89161
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Wt: 409.4
BDBM89162
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Wt: 421.3
BDBM89165
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Wt: 334.3
BDBM89166
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Wt: 282.4
BDBM89167
Wt: 332.3
BDBM89168
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Wt: 299.3
BDBM89169
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Wt: 488.5
BDBM89172
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<<  First   |  Previous   |  Displayed 16 to 30 (of 46 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 89151,89152,89154,89156,89157,89158,89159,89161,89162,89165,89166,89167,89168,89169,89172   
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
High-affinity choline transporter


(Homo sapiens (Human))
BDBM89151
PNG
(2-[2-(2-chlorophenyl)-1-benzimidazolyl]-N-(2-propa...)
Show SMILES CC(C)c1ccccc1NC(=O)Cn1c(nc2ccccc12)-c1ccccc1Cl
Show InChI InChI=1S/C24H22ClN3O/c1-16(2)17-9-4-6-12-20(17)26-23(29)15-28-22-14-8-7-13-21(22)27-24(28)18-10-3-5-11-19(18)25/h3-14,16H,15H2,1-2H3,(H,26,29)
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n/an/an/an/a 1.83E+4n/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening ...


PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM89172
PNG
(MLS001129323 | N-(6-amino-1-benzyl-2,4-diketo-pyri...)
Show SMILES CC(Oc1ccccc1)C(=O)N(CCC1=CCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O |t:15|
Show InChI InChI=1S/C28H32N4O4/c1-20(36-23-15-9-4-10-16-23)27(34)31(18-17-21-11-5-2-6-12-21)24-25(29)32(28(35)30-26(24)33)19-22-13-7-3-8-14-22/h3-4,7-11,13-16,20H,2,5-6,12,17-19,29H2,1H3,(H,30,33,35)
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n/an/an/an/a 1.50E+4n/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening ...


PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM89154
PNG
(1-[2-azanylidene-3-[2-(diethylamino)ethyl]benzimid...)
Show SMILES CCN(CC)CCn1c2ccccc2n(CC(O)COc2cccc(C)c2)c1=N
Show InChI InChI=1S/C23H32N4O2/c1-4-25(5-2)13-14-26-21-11-6-7-12-22(21)27(23(26)24)16-19(28)17-29-20-10-8-9-18(3)15-20/h6-12,15,19,24,28H,4-5,13-14,16-17H2,1-3H3
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n/an/an/an/a 1.25E+4n/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening ...


PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM89156
PNG
((3aS,5S,9aS)-2-(3-chlorobenzyl)-5-(1-pyridin-2-yl-...)
Show SMILES Clc1cccc(CN2C[C@@H]3C[C@H](N4CCC[C@@]34C2=O)c2cccn2-c2ccccn2)c1
Show InChI InChI=1S/C25H25ClN4O/c26-20-7-3-6-18(14-20)16-28-17-19-15-22(30-13-5-10-25(19,30)24(28)31)21-8-4-12-29(21)23-9-1-2-11-27-23/h1-4,6-9,11-12,14,19,22H,5,10,13,15-17H2/t19-,22-,25-/m0/s1
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n/an/an/an/a 8.22E+3n/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening ...


PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM89157
PNG
(MLS000731795 | SMR000317543 | [1-[(1-pyrimidin-2-y...)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)C1CCCN(Cc2cccn2-c2ncccn2)C1
Show InChI InChI=1S/C22H21F3N4O/c23-22(24,25)18-7-1-5-16(13-18)20(30)17-6-2-11-28(14-17)15-19-8-3-12-29(19)21-26-9-4-10-27-21/h1,3-5,7-10,12-13,17H,2,6,11,14-15H2
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n/an/an/an/a 6.69E+3n/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening ...


PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM89158
PNG
(4-cyano-2-fluoranyl-N-[2-[4-(2-methylpropanoyl)pip...)
Show SMILES CC(C)C(=O)N1CCN(CC1)c1ccccc1NC(=O)c1ccc(cc1F)C#N
Show InChI InChI=1S/C22H23FN4O2/c1-15(2)22(29)27-11-9-26(10-12-27)20-6-4-3-5-19(20)25-21(28)17-8-7-16(14-24)13-18(17)23/h3-8,13,15H,9-12H2,1-2H3,(H,25,28)
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n/an/an/an/a 1.29E+4n/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening ...


PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM89159
PNG
(4-(4-methoxyphenyl)sulfonyl-3-methyl-2,3-dihydro-1...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C(C)COc2ccccc12
Show InChI InChI=1S/C16H17NO4S/c1-12-11-21-16-6-4-3-5-15(16)17(12)22(18,19)14-9-7-13(20-2)8-10-14/h3-10,12H,11H2,1-2H3
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n/an/an/an/a 1.39E+4n/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening ...


PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM89161
PNG
(6,7-dimethoxy-N-propan-2-yl-1-thiophen-2-yl-3,4-di...)
Show SMILES COc1cc2CCN(C(c3cccs3)c2cc1OC)C(=S)NC(C)C
Show InChI InChI=1S/C19H24N2O2S2/c1-12(2)20-19(24)21-8-7-13-10-15(22-3)16(23-4)11-14(13)18(21)17-6-5-9-25-17/h5-6,9-12,18H,7-8H2,1-4H3,(H,20,24)
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n/an/an/an/a 1.75E+4n/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening ...


PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM89162
PNG
((3,4-Dimethoxy-benzyl)-[3-(4-fluoro-phenyl)-3-(4-m...)
Show SMILES COc1ccc(cc1)C(CCNCc1ccc(OC)c(OC)c1)c1ccc(F)cc1
Show InChI InChI=1S/C25H28FNO3/c1-28-22-11-7-20(8-12-22)23(19-5-9-21(26)10-6-19)14-15-27-17-18-4-13-24(29-2)25(16-18)30-3/h4-13,16,23,27H,14-15,17H2,1-3H3
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n/an/an/an/a 2.09E+4n/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening ...


PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM89165
PNG
(2-[2-({[1-(1-adamantyl)ethyl]amino}methyl)-4-bromo...)
Show SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(C)NCc1cc(Br)ccc1OCC(N)=O |TLB:8:6:12:1.11.2,5:3:11:6.9.8,THB:5:6:11:3.12.2|
Show InChI InChI=1S/C21H29BrN2O2/c1-13(21-8-14-4-15(9-21)6-16(5-14)10-21)24-11-17-7-18(22)2-3-19(17)26-12-20(23)25/h2-3,7,13-16,24H,4-6,8-12H2,1H3,(H2,23,25)
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n/an/an/an/a 1.38E+4n/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening ...


PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM89166
PNG
(2-[2-(2-Methoxy-phenyl)-acetylamino]-4-methyl-thia...)
Show SMILES CCOC(=O)c1sc(NC(=O)Cc2ccccc2OC)nc1C
Show InChI InChI=1S/C16H18N2O4S/c1-4-22-15(20)14-10(2)17-16(23-14)18-13(19)9-11-7-5-6-8-12(11)21-3/h5-8H,4,9H2,1-3H3,(H,17,18,19)
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n/an/an/an/a 2.24E+4n/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening ...


PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM89167
PNG
(1-octyl-3,4-dihydro-2H-beta-carboline;hydrochlorid...)
Show SMILES CCCCCCCCC1=NCCc2c1[nH]c1ccccc21 |t:8|
Show InChI InChI=1S/C19H26N2/c1-2-3-4-5-6-7-12-18-19-16(13-14-20-18)15-10-8-9-11-17(15)21-19/h8-11,21H,2-7,12-14H2,1H3
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n/an/an/an/a 1.37E+4n/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening ...


PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM89168
PNG
(2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]metho...)
Show SMILES CCCCNC(=O)COCc1cc(on1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C17H20N2O5/c1-2-3-6-18-17(20)10-21-9-13-8-15(24-19-13)12-4-5-14-16(7-12)23-11-22-14/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,18,20)
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n/an/an/an/a 8.04E+3n/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening ...


PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM89169
PNG
(1,3-bis(phenylmethyl)benzimidazol-3-ium;chloride |...)
Show SMILES C(c1ccccc1)n1c[n+](Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C21H19N2/c1-3-9-18(10-4-1)15-22-17-23(16-19-11-5-2-6-12-19)21-14-8-7-13-20(21)22/h1-14,17H,15-16H2/q+1
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n/an/an/an/a 5.76E+3n/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening ...


PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM89152
PNG
(MLS000662777 | N-[bis(2-methylpropoxy)phosphoryl-(...)
Show SMILES CC(C)COP(=O)(OCC(C)C)C(Nc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H29FNO3P/c1-16(2)14-25-27(24,26-15-17(3)4)21(18-10-12-19(22)13-11-18)23-20-8-6-5-7-9-20/h5-13,16-17,21,23H,14-15H2,1-4H3
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n/an/an/an/a 1.22E+4n/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening ...


PubChem Bioassay (2012)

More data for this
Ligand-Target Pair