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SMILES: CC(C)N1Cc2cc3CCN(CCCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc2C1=O

InChI Key: InChIKey=JQVYPXIHEOFUGD-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 = 50411676   
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))
BDBM50411676
PNG
(CHEMBL270852)
Show SMILES CC(C)N1Cc2cc3CCN(CCCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc2C1=O
Show InChI InChI=1S/C32H38N6OS/c1-21(2)38-20-25-18-23-12-15-37(16-13-24(23)19-28(25)31(38)39)14-5-6-17-40-32-35-34-30(36(32)4)27-8-7-9-29-26(27)11-10-22(3)33-29/h7-11,18-19,21H,5-6,12-17,20H2,1-4H3
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PC cid
PC sid
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Article
PubMed
39.8n/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))
BDBM50411676
PNG
(CHEMBL270852)
Show SMILES CC(C)N1Cc2cc3CCN(CCCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc2C1=O
Show InChI InChI=1S/C32H38N6OS/c1-21(2)38-20-25-18-23-12-15-37(16-13-24(23)19-28(25)31(38)39)14-5-6-17-40-32-35-34-30(36(32)4)27-8-7-9-29-26(27)11-10-22(3)33-29/h7-11,18-19,21H,5-6,12-17,20H2,1-4H3
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>1.00E+3n/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))
BDBM50411676
PNG
(CHEMBL270852)
Show SMILES CC(C)N1Cc2cc3CCN(CCCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc2C1=O
Show InChI InChI=1S/C32H38N6OS/c1-21(2)38-20-25-18-23-12-15-37(16-13-24(23)19-28(25)31(38)39)14-5-6-17-40-32-35-34-30(36(32)4)27-8-7-9-29-26(27)11-10-22(3)33-29/h7-11,18-19,21H,5-6,12-17,20H2,1-4H3
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>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))
BDBM50411676
PNG
(CHEMBL270852)
Show SMILES CC(C)N1Cc2cc3CCN(CCCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc2C1=O
Show InChI InChI=1S/C32H38N6OS/c1-21(2)38-20-25-18-23-12-15-37(16-13-24(23)19-28(25)31(38)39)14-5-6-17-40-32-35-34-30(36(32)4)27-8-7-9-29-26(27)11-10-22(3)33-29/h7-11,18-19,21H,5-6,12-17,20H2,1-4H3
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n/an/a 3.98E+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