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SMILES: CCc1noc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc12

InChI Key: InChIKey=RTMHXVRCXRAHLV-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 = 50411686   
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))
BDBM50411686
PNG
(CHEMBL403181)
Show SMILES CCc1noc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc12
Show InChI InChI=1S/C29H32N6OS/c1-4-25-24-17-20-11-14-35(15-12-21(20)18-27(24)36-33-25)13-6-16-37-29-32-31-28(34(29)3)23-7-5-8-26-22(23)10-9-19(2)30-26/h5,7-10,17-18H,4,6,11-16H2,1-3H3
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25.1n/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
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50411686
PNG
(CHEMBL403181)
Show SMILES CCc1noc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc12
Show InChI InChI=1S/C29H32N6OS/c1-4-25-24-17-20-11-14-35(15-12-21(20)18-27(24)36-33-25)13-6-16-37-29-32-31-28(34(29)3)23-7-5-8-26-22(23)10-9-19(2)30-26/h5,7-10,17-18H,4,6,11-16H2,1-3H3
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126n/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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50411686
PNG
(CHEMBL403181)
Show SMILES CCc1noc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc12
Show InChI InChI=1S/C29H32N6OS/c1-4-25-24-17-20-11-14-35(15-12-21(20)18-27(24)36-33-25)13-6-16-37-29-32-31-28(34(29)3)23-7-5-8-26-22(23)10-9-19(2)30-26/h5,7-10,17-18H,4,6,11-16H2,1-3H3
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>794n/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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50411686
PNG
(CHEMBL403181)
Show SMILES CCc1noc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc12
Show InChI InChI=1S/C29H32N6OS/c1-4-25-24-17-20-11-14-35(15-12-21(20)18-27(24)36-33-25)13-6-16-37-29-32-31-28(34(29)3)23-7-5-8-26-22(23)10-9-19(2)30-26/h5,7-10,17-18H,4,6,11-16H2,1-3H3
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n/an/a 1.00E+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