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BDBM50411660 CHEMBL256481

SMILES: Cc1nc2cc3CCN(CCCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c(C)c2o1

InChI Key: InChIKey=BFIAPIAYPVHYPQ-UHFFFAOYSA-N

Data: 3 KI  1 IC50

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 = 50411660   
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))
BDBM50411660
PNG
(CHEMBL256481)
Show SMILES Cc1nc2cc3CCN(CCCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c(C)c2o1
Show InChI InChI=1S/C30H34N6OS/c1-19-10-11-24-25(8-7-9-26(24)31-19)29-33-34-30(35(29)4)38-17-6-5-14-36-15-12-22-18-27-28(37-21(3)32-27)20(2)23(22)13-16-36/h7-11,18H,5-6,12-17H2,1-4H3
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Article
PubMed
6.31n/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))
BDBM50411660
PNG
(CHEMBL256481)
Show SMILES Cc1nc2cc3CCN(CCCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c(C)c2o1
Show InChI InChI=1S/C30H34N6OS/c1-19-10-11-24-25(8-7-9-26(24)31-19)29-33-34-30(35(29)4)38-17-6-5-14-36-15-12-22-18-27-28(37-21(3)32-27)20(2)23(22)13-16-36/h7-11,18H,5-6,12-17H2,1-4H3
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158n/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))
BDBM50411660
PNG
(CHEMBL256481)
Show SMILES Cc1nc2cc3CCN(CCCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c(C)c2o1
Show InChI InChI=1S/C30H34N6OS/c1-19-10-11-24-25(8-7-9-26(24)31-19)29-33-34-30(35(29)4)38-17-6-5-14-36-15-12-22-18-27-28(37-21(3)32-27)20(2)23(22)13-16-36/h7-11,18H,5-6,12-17H2,1-4H3
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PubMed
>2.51E+3n/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))
BDBM50411660
PNG
(CHEMBL256481)
Show SMILES Cc1nc2cc3CCN(CCCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c(C)c2o1
Show InChI InChI=1S/C30H34N6OS/c1-19-10-11-24-25(8-7-9-26(24)31-19)29-33-34-30(35(29)4)38-17-6-5-14-36-15-12-22-18-27-28(37-21(3)32-27)20(2)23(22)13-16-36/h7-11,18H,5-6,12-17H2,1-4H3
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n/an/a 1.58E+3n/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