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16 molecules are shown

Compile data set for download or QSAR
Wt: 341.4
BDBM50101999
Wt: 327.4
BDBM50102017
Wt: 305.4
BDBM50102018
Wt: 265.3
BDBM50209166
Wt: 254.3
BDBM50209167
Wt: 265.3
BDBM50209168
Wt: 265.3
BDBM50209172
Wt: 606.8
BDBM50240412
Wt: 564.7
BDBM50285312
Wt: 648.8
BDBM50285313
Wt: 620.8
BDBM50285314
Wt: 536.6
BDBM50285315
Wt: 550.6
BDBM50285317
Wt: 578.7
BDBM50285318
Wt: 353.5
BDBM50285319
Displayed 1 to 15 (of 16 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 53 hits for monomerid = 50101999,50102017,50102018,50209166,50209167,50209168,50209172,50240412,50285312,50285313,50285314,50285315,50285317,50285318,50285319   
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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50209166
PNG
(3-(4-(dimethylamino)cyclohex-1-enyl)-1H-indole-5-c...)
Show SMILES CN(C)C1CCC(=CC1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C17H19N3/c1-20(2)14-6-4-13(5-7-14)16-11-19-17-8-3-12(10-18)9-15(16)17/h3-4,8-9,11,14,19H,5-7H2,1-2H3
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Article
PubMed
n/an/a 0.340n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3099-104 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.040
BindingDB Entry DOI: 10.7270/Q2QN66F8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50209168
PNG
((R)-3-(4-(dimethylamino)cyclohex-1-enyl)-1H-indole...)
Show SMILES CN(C)[C@@H]1CCC(=CC1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C17H19N3/c1-20(2)14-6-4-13(5-7-14)16-11-19-17-8-3-12(10-18)9-15(16)17/h3-4,8-9,11,14,19H,5-7H2,1-2H3/t14-/m0/s1
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n/an/a 390n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Nisoxetine from human NET expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3099-104 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.040
BindingDB Entry DOI: 10.7270/Q2QN66F8
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50285315
PNG
(3-(4-{2-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1
Show InChI InChI=1S/C32H36N6O2/c33-31(39)21-5-11-29-25(15-21)27(17-37-29)19-1-7-23(8-2-19)35-13-14-36-24-9-3-20(4-10-24)28-18-38-30-12-6-22(32(34)40)16-26(28)30/h1,3,5-6,11-12,15-18,23-24,35-38H,2,4,7-10,13-14H2,(H2,33,39)(H2,34,40)
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n/an/a>1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1E receptor subtype


Bioorg Med Chem Lett 5: 123-126 (1995)


Article DOI: 10.1016/0960-894X(94)00470-Z
BindingDB Entry DOI: 10.7270/Q2KP824F
More data for this
Ligand-Target Pair
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