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SMILES: Cc1nc2SCCn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1

InChI Key: InChIKey=RBGAHDDQSRBDOG-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 9 hits for monomerid = 81814   
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
Alpha-2C adrenergic receptor


(RAT)
BDBM81814
PNG
(5H-THIAZOLO[3,2A]PYRIMIDIN-5-ONE, 6-[2-[4-(4-FLUOR...)
Show SMILES Cc1nc2SCCn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H24FN3O2S/c1-14-18(20(27)25-12-13-28-21(25)23-14)8-11-24-9-6-16(7-10-24)19(26)15-2-4-17(22)5-3-15/h2-5,16H,6-13H2,1H3
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1n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

Curated by PDSP Ki Database




Eur J Pharmacol 129: 49-55 (1986)


Article DOI: 10.1016/0014-2999(86)90335-3
BindingDB Entry DOI: 10.7270/Q27S7M8D
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(RAT)
BDBM81814
PNG
(5H-THIAZOLO[3,2A]PYRIMIDIN-5-ONE, 6-[2-[4-(4-FLUOR...)
Show SMILES Cc1nc2SCCn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H24FN3O2S/c1-14-18(20(27)25-12-13-28-21(25)23-14)8-11-24-9-6-16(7-10-24)19(26)15-2-4-17(22)5-3-15/h2-5,16H,6-13H2,1H3
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10n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

Curated by PDSP Ki Database




Eur J Pharmacol 129: 49-55 (1986)


Article DOI: 10.1016/0014-2999(86)90335-3
BindingDB Entry DOI: 10.7270/Q27S7M8D
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(NEONATAL RAT)
BDBM81814
PNG
(5H-THIAZOLO[3,2A]PYRIMIDIN-5-ONE, 6-[2-[4-(4-FLUOR...)
Show SMILES Cc1nc2SCCn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H24FN3O2S/c1-14-18(20(27)25-12-13-28-21(25)23-14)8-11-24-9-6-16(7-10-24)19(26)15-2-4-17(22)5-3-15/h2-5,16H,6-13H2,1H3
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25n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




J Pharmacol Exp Ther 259: 323-9 (1991)


BindingDB Entry DOI: 10.7270/Q2Z899WV
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM81814
PNG
(5H-THIAZOLO[3,2A]PYRIMIDIN-5-ONE, 6-[2-[4-(4-FLUOR...)
Show SMILES Cc1nc2SCCn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H24FN3O2S/c1-14-18(20(27)25-12-13-28-21(25)23-14)8-11-24-9-6-16(7-10-24)19(26)15-2-4-17(22)5-3-15/h2-5,16H,6-13H2,1H3
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32n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

Curated by PDSP Ki Database




Eur J Pharmacol 129: 49-55 (1986)


Article DOI: 10.1016/0014-2999(86)90335-3
BindingDB Entry DOI: 10.7270/Q27S7M8D
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(RAT)
BDBM81814
PNG
(5H-THIAZOLO[3,2A]PYRIMIDIN-5-ONE, 6-[2-[4-(4-FLUOR...)
Show SMILES Cc1nc2SCCn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H24FN3O2S/c1-14-18(20(27)25-12-13-28-21(25)23-14)8-11-24-9-6-16(7-10-24)19(26)15-2-4-17(22)5-3-15/h2-5,16H,6-13H2,1H3
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50n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

Curated by PDSP Ki Database




Eur J Pharmacol 129: 49-55 (1986)


Article DOI: 10.1016/0014-2999(86)90335-3
BindingDB Entry DOI: 10.7270/Q27S7M8D
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(OK)
BDBM81814
PNG
(5H-THIAZOLO[3,2A]PYRIMIDIN-5-ONE, 6-[2-[4-(4-FLUOR...)
Show SMILES Cc1nc2SCCn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H24FN3O2S/c1-14-18(20(27)25-12-13-28-21(25)23-14)8-11-24-9-6-16(7-10-24)19(26)15-2-4-17(22)5-3-15/h2-5,16H,6-13H2,1H3
UniProtKB/TrEMBL

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51n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




J Pharmacol Exp Ther 259: 323-9 (1991)


BindingDB Entry DOI: 10.7270/Q2Z899WV
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(RAT)
BDBM81814
PNG
(5H-THIAZOLO[3,2A]PYRIMIDIN-5-ONE, 6-[2-[4-(4-FLUOR...)
Show SMILES Cc1nc2SCCn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H24FN3O2S/c1-14-18(20(27)25-12-13-28-21(25)23-14)8-11-24-9-6-16(7-10-24)19(26)15-2-4-17(22)5-3-15/h2-5,16H,6-13H2,1H3
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52n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

Curated by PDSP Ki Database




Eur J Pharmacol 129: 49-55 (1986)


Article DOI: 10.1016/0014-2999(86)90335-3
BindingDB Entry DOI: 10.7270/Q27S7M8D
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM81814
PNG
(5H-THIAZOLO[3,2A]PYRIMIDIN-5-ONE, 6-[2-[4-(4-FLUOR...)
Show SMILES Cc1nc2SCCn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H24FN3O2S/c1-14-18(20(27)25-12-13-28-21(25)23-14)8-11-24-9-6-16(7-10-24)19(26)15-2-4-17(22)5-3-15/h2-5,16H,6-13H2,1H3
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UniProtKB/SwissProt

antibodypedia
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90n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




J Pharmacol Exp Ther 259: 323-9 (1991)


BindingDB Entry DOI: 10.7270/Q2Z899WV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM81814
PNG
(5H-THIAZOLO[3,2A]PYRIMIDIN-5-ONE, 6-[2-[4-(4-FLUOR...)
Show SMILES Cc1nc2SCCn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H24FN3O2S/c1-14-18(20(27)25-12-13-28-21(25)23-14)8-11-24-9-6-16(7-10-24)19(26)15-2-4-17(22)5-3-15/h2-5,16H,6-13H2,1H3
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106n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




J Pharmacol Exp Ther 264: 1002-11 (1993)


BindingDB Entry DOI: 10.7270/Q2T1525C
More data for this
Ligand-Target Pair