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SMILES: Cc1noc2cc3CCN(CCCSc4nnc(-c5ccc(cc5)C(F)(F)F)n4C)CCc3cc12

InChI Key: InChIKey=FLIIXHVRMXEDPQ-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50411688   
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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411688
PNG
(CHEMBL401576)
Show SMILES Cc1noc2cc3CCN(CCCSc4nnc(-c5ccc(cc5)C(F)(F)F)n4C)CCc3cc12
Show InChI InChI=1S/C25H26F3N5OS/c1-16-21-14-18-8-11-33(12-9-19(18)15-22(21)34-31-16)10-3-13-35-24-30-29-23(32(24)2)17-4-6-20(7-5-17)25(26,27)28/h4-7,14-15H,3,8-13H2,1-2H3
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12.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50411688
PNG
(CHEMBL401576)
Show SMILES Cc1noc2cc3CCN(CCCSc4nnc(-c5ccc(cc5)C(F)(F)F)n4C)CCc3cc12
Show InChI InChI=1S/C25H26F3N5OS/c1-16-21-14-18-8-11-33(12-9-19(18)15-22(21)34-31-16)10-3-13-35-24-30-29-23(32(24)2)17-4-6-20(7-5-17)25(26,27)28/h4-7,14-15H,3,8-13H2,1-2H3
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>126n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at dopamine D2 receptor by GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50411688
PNG
(CHEMBL401576)
Show SMILES Cc1noc2cc3CCN(CCCSc4nnc(-c5ccc(cc5)C(F)(F)F)n4C)CCc3cc12
Show InChI InChI=1S/C25H26F3N5OS/c1-16-21-14-18-8-11-33(12-9-19(18)15-22(21)34-31-16)10-3-13-35-24-30-29-23(32(24)2)17-4-6-20(7-5-17)25(26,27)28/h4-7,14-15H,3,8-13H2,1-2H3
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631n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor by FLIPR assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50411688
PNG
(CHEMBL401576)
Show SMILES Cc1noc2cc3CCN(CCCSc4nnc(-c5ccc(cc5)C(F)(F)F)n4C)CCc3cc12
Show InChI InChI=1S/C25H26F3N5OS/c1-16-21-14-18-8-11-33(12-9-19(18)15-22(21)34-31-16)10-3-13-35-24-30-29-23(32(24)2)17-4-6-20(7-5-17)25(26,27)28/h4-7,14-15H,3,8-13H2,1-2H3
PDB
MMDB

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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair