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BDBM50105088 1-Phenyl-8-[1,3,4]thiadiazolo[3,4-a]pyridazin-6-ylmethyl-1,3,8-triaza-spiro[4.5]decan-4-one::8-Benzo[1,2,5]thiadiazol-5-ylmethyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one::CHEMBL325750

SMILES: O=C1NCN(c2ccccc2)C11CCN(Cc2ccc3nsnc3c2)CC1

InChI Key: InChIKey=QHTFQZNDPJWDIE-UHFFFAOYSA-N

Data: 11 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 11 hits for monomerid = 50105088   
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
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50105088
PNG
(1-Phenyl-8-[1,3,4]thiadiazolo[3,4-a]pyridazin-6-yl...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(Cc2ccc3nsnc3c2)CC1
Show InChI InChI=1S/C20H21N5OS/c26-19-20(25(14-21-19)16-4-2-1-3-5-16)8-10-24(11-9-20)13-15-6-7-17-18(12-15)23-27-22-17/h1-7,12H,8-11,13-14H2,(H,21,26)
MMDB

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n/an/a 4.25E+3n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Inhibition of alpha-1 adrenergic receptor


J Med Chem 44: 3391-401 (2001)


BindingDB Entry DOI: 10.7270/Q2057GN9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50105088
PNG
(1-Phenyl-8-[1,3,4]thiadiazolo[3,4-a]pyridazin-6-yl...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(Cc2ccc3nsnc3c2)CC1
Show InChI InChI=1S/C20H21N5OS/c26-19-20(25(14-21-19)16-4-2-1-3-5-16)8-10-24(11-9-20)13-15-6-7-17-18(12-15)23-27-22-17/h1-7,12H,8-11,13-14H2,(H,21,26)
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n/an/a 4.12E+3n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Inhibition of ligand binding to human delta opioid receptor.


J Med Chem 44: 3391-401 (2001)


BindingDB Entry DOI: 10.7270/Q2057GN9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50105088
PNG
(1-Phenyl-8-[1,3,4]thiadiazolo[3,4-a]pyridazin-6-yl...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(Cc2ccc3nsnc3c2)CC1
Show InChI InChI=1S/C20H21N5OS/c26-19-20(25(14-21-19)16-4-2-1-3-5-16)8-10-24(11-9-20)13-15-6-7-17-18(12-15)23-27-22-17/h1-7,12H,8-11,13-14H2,(H,21,26)
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n/an/a 4.12E+3n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Binding affinity against delta-opiate receptor (human) using [3H]-DPDPE radioligand


J Med Chem 44: 3378-90 (2001)


BindingDB Entry DOI: 10.7270/Q23X87B8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50105088
PNG
(1-Phenyl-8-[1,3,4]thiadiazolo[3,4-a]pyridazin-6-yl...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(Cc2ccc3nsnc3c2)CC1
Show InChI InChI=1S/C20H21N5OS/c26-19-20(25(14-21-19)16-4-2-1-3-5-16)8-10-24(11-9-20)13-15-6-7-17-18(12-15)23-27-22-17/h1-7,12H,8-11,13-14H2,(H,21,26)
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n/an/a 104n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa 1 using [3H]- U-69,593 radioligand


J Med Chem 44: 3378-90 (2001)


BindingDB Entry DOI: 10.7270/Q23X87B8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50105088
PNG
(1-Phenyl-8-[1,3,4]thiadiazolo[3,4-a]pyridazin-6-yl...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(Cc2ccc3nsnc3c2)CC1
Show InChI InChI=1S/C20H21N5OS/c26-19-20(25(14-21-19)16-4-2-1-3-5-16)8-10-24(11-9-20)13-15-6-7-17-18(12-15)23-27-22-17/h1-7,12H,8-11,13-14H2,(H,21,26)
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n/an/a 25n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Binding affinity against mu-opiate receptor (human) using [3H]DAMGO radioligand


J Med Chem 44: 3378-90 (2001)


BindingDB Entry DOI: 10.7270/Q23X87B8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50105088
PNG
(1-Phenyl-8-[1,3,4]thiadiazolo[3,4-a]pyridazin-6-yl...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(Cc2ccc3nsnc3c2)CC1
Show InChI InChI=1S/C20H21N5OS/c26-19-20(25(14-21-19)16-4-2-1-3-5-16)8-10-24(11-9-20)13-15-6-7-17-18(12-15)23-27-22-17/h1-7,12H,8-11,13-14H2,(H,21,26)
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n/an/a 29n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Binding affinity against mu opiate receptor


J Med Chem 44: 3391-401 (2001)


BindingDB Entry DOI: 10.7270/Q2057GN9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50105088
PNG
(1-Phenyl-8-[1,3,4]thiadiazolo[3,4-a]pyridazin-6-yl...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(Cc2ccc3nsnc3c2)CC1
Show InChI InChI=1S/C20H21N5OS/c26-19-20(25(14-21-19)16-4-2-1-3-5-16)8-10-24(11-9-20)13-15-6-7-17-18(12-15)23-27-22-17/h1-7,12H,8-11,13-14H2,(H,21,26)
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n/an/a 104n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa 1 by using [3H]U-69593 as radioligand


J Med Chem 44: 3391-401 (2001)


BindingDB Entry DOI: 10.7270/Q2057GN9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50105088
PNG
(1-Phenyl-8-[1,3,4]thiadiazolo[3,4-a]pyridazin-6-yl...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(Cc2ccc3nsnc3c2)CC1
Show InChI InChI=1S/C20H21N5OS/c26-19-20(25(14-21-19)16-4-2-1-3-5-16)8-10-24(11-9-20)13-15-6-7-17-18(12-15)23-27-22-17/h1-7,12H,8-11,13-14H2,(H,21,26)
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n/an/a 123n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Inhibition of human dopamine receptor D2


J Med Chem 44: 3391-401 (2001)


BindingDB Entry DOI: 10.7270/Q2057GN9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50105088
PNG
(1-Phenyl-8-[1,3,4]thiadiazolo[3,4-a]pyridazin-6-yl...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(Cc2ccc3nsnc3c2)CC1
Show InChI InChI=1S/C20H21N5OS/c26-19-20(25(14-21-19)16-4-2-1-3-5-16)8-10-24(11-9-20)13-15-6-7-17-18(12-15)23-27-22-17/h1-7,12H,8-11,13-14H2,(H,21,26)
UniProtKB/SwissProt

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n/an/a 29n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Inhibition of human dopamine receptor D3


J Med Chem 44: 3391-401 (2001)


BindingDB Entry DOI: 10.7270/Q2057GN9
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50105088
PNG
(1-Phenyl-8-[1,3,4]thiadiazolo[3,4-a]pyridazin-6-yl...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(Cc2ccc3nsnc3c2)CC1
Show InChI InChI=1S/C20H21N5OS/c26-19-20(25(14-21-19)16-4-2-1-3-5-16)8-10-24(11-9-20)13-15-6-7-17-18(12-15)23-27-22-17/h1-7,12H,8-11,13-14H2,(H,21,26)
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n/an/a 1.88E+3n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Inhibition of human dopamine receptor D4.4


J Med Chem 44: 3391-401 (2001)


BindingDB Entry DOI: 10.7270/Q2057GN9
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50105088
PNG
(1-Phenyl-8-[1,3,4]thiadiazolo[3,4-a]pyridazin-6-yl...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(Cc2ccc3nsnc3c2)CC1
Show InChI InChI=1S/C20H21N5OS/c26-19-20(25(14-21-19)16-4-2-1-3-5-16)8-10-24(11-9-20)13-15-6-7-17-18(12-15)23-27-22-17/h1-7,12H,8-11,13-14H2,(H,21,26)
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n/an/a 758n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Inhibition of human ORL1 orphanin receptor


J Med Chem 44: 3391-401 (2001)


BindingDB Entry DOI: 10.7270/Q2057GN9
More data for this
Ligand-Target Pair