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4 similar compounds to monomer 94597

Compile data set for download or QSAR
Wt: 295.4
BDBM82088
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Wt: 324.4
BDBM93639
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Wt: 309.4
BDBM50002087
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Wt: 520.6
BDBM50221391

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 82088,93639,50002087,50221391   
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
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50002087
PNG
(4-(1-Methyl-piperidin-4-ylidene)-4,9-dihydro-1-thi...)
Show SMILES CN1CCC(CC1)=C1c2ccsc2C(=O)Cc2ccccc12
Show InChI InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3
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PubMed
0.158n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay


J Med Chem 53: 7778-95 (2010)


Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50002087
PNG
(4-(1-Methyl-piperidin-4-ylidene)-4,9-dihydro-1-thi...)
Show SMILES CN1CCC(CC1)=C1c2ccsc2C(=O)Cc2ccccc12
Show InChI InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3
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0.310n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
The compound was tested in vitro for binding affinity against histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand a...


J Med Chem 35: 2074-84 (1992)


Article DOI: 10.1021/jm00089a020
BindingDB Entry DOI: 10.7270/Q2N87BC0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM82088
PNG
(CAS_15574-96-6 | NSC_27400 | PIZOTIFEN)
Show SMILES CN1CCC(CC1)=C1c2ccsc2CCc2ccccc12
Show InChI InChI=1S/C19H21NS/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18/h2-5,10,13H,6-9,11-12H2,1H3
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2.40n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor (unknown origin)


Bioorg Med Chem 21: 7841-52 (2013)


Article DOI: 10.1016/j.bmc.2013.10.010
BindingDB Entry DOI: 10.7270/Q2FN17N0
More data for this
Ligand-Target Pair
HTR2C


(PIG)
BDBM82088
PNG
(CAS_15574-96-6 | NSC_27400 | PIZOTIFEN)
Show SMILES CN1CCC(CC1)=C1c2ccsc2CCc2ccccc12
Show InChI InChI=1S/C19H21NS/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18/h2-5,10,13H,6-9,11-12H2,1H3
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7.94n/an/an/an/an/an/an/an/a



Friedrich-Schiller-University Jena

Curated by PDSP Ki Database




Br J Pharmacol 130: 692-8 (2000)


Article DOI: 10.1038/sj.bjp.0703341
BindingDB Entry DOI: 10.7270/Q2M32T9Z
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50221391
PNG
(CHEMBL430371 | naphthalene-2-carboxylic acid {4-[4...)
Show SMILES O=C(NCCCCN1CCC(CC1)=C1c2ccsc2C(=O)Cc2ccccc12)c1ccc2ccccc2c1
Show InChI InChI=1S/C33H32N2O2S/c36-30-22-26-9-3-4-10-28(26)31(29-15-20-38-32(29)30)24-13-18-35(19-14-24)17-6-5-16-34-33(37)27-12-11-23-7-1-2-8-25(23)21-27/h1-4,7-12,15,20-21H,5-6,13-14,16-19,22H2,(H,34,37)
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PubMed
10.9n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D3 receptor expressed in CHO cells


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(RAT)
BDBM82088
PNG
(CAS_15574-96-6 | NSC_27400 | PIZOTIFEN)
Show SMILES CN1CCC(CC1)=C1c2ccsc2CCc2ccccc12
Show InChI InChI=1S/C19H21NS/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18/h2-5,10,13H,6-9,11-12H2,1H3
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38.9n/an/an/an/an/an/an/an/a



University of Alberta

Curated by PDSP Ki Database




Neuropharmacology 33: 275-317 (1994)


BindingDB Entry DOI: 10.7270/Q2M043X2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50221391
PNG
(CHEMBL430371 | naphthalene-2-carboxylic acid {4-[4...)
Show SMILES O=C(NCCCCN1CCC(CC1)=C1c2ccsc2C(=O)Cc2ccccc12)c1ccc2ccccc2c1
Show InChI InChI=1S/C33H32N2O2S/c36-30-22-26-9-3-4-10-28(26)31(29-15-20-38-32(29)30)24-13-18-35(19-14-24)17-6-5-16-34-33(37)27-12-11-23-7-1-2-8-25(23)21-27/h1-4,7-12,15,20-21H,5-6,13-14,16-19,22H2,(H,34,37)
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>1.00E+3n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2S receptor expressed in HEK cells


Bioorg Med Chem 15: 7258-73 (2007)


Article DOI: 10.1016/j.bmc.2007.08.034
BindingDB Entry DOI: 10.7270/Q21C1WMX
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM82088
PNG
(CAS_15574-96-6 | NSC_27400 | PIZOTIFEN)
Show SMILES CN1CCC(CC1)=C1c2ccsc2CCc2ccccc12
Show InChI InChI=1S/C19H21NS/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18/h2-5,10,13H,6-9,11-12H2,1H3
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2.19E+3n/an/an/an/an/an/an/an/a



INSERM U. 114

Curated by PDSP Ki Database




Nature 305: 140-2 (1983)


Article DOI: 10.1038/305140a0
BindingDB Entry DOI: 10.7270/Q2S46QFX
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM82088
PNG
(CAS_15574-96-6 | NSC_27400 | PIZOTIFEN)
Show SMILES CN1CCC(CC1)=C1c2ccsc2CCc2ccccc12
Show InChI InChI=1S/C19H21NS/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18/h2-5,10,13H,6-9,11-12H2,1H3
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6.17E+3n/an/an/an/an/an/an/an/a



INSERM U. 114

Curated by PDSP Ki Database




Nature 305: 140-2 (1983)


Article DOI: 10.1038/305140a0
BindingDB Entry DOI: 10.7270/Q2S46QFX
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50002087
PNG
(4-(1-Methyl-piperidin-4-ylidene)-4,9-dihydro-1-thi...)
Show SMILES CN1CCC(CC1)=C1c2ccsc2C(=O)Cc2ccccc12
Show InChI InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 3005-21 (2011)


Article DOI: 10.1016/j.bmc.2011.03.003
BindingDB Entry DOI: 10.7270/Q23T9HJM
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50002087
PNG
(4-(1-Methyl-piperidin-4-ylidene)-4,9-dihydro-1-thi...)
Show SMILES CN1CCC(CC1)=C1c2ccsc2C(=O)Cc2ccccc12
Show InChI InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3
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n/an/a>4.29E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...


Drug Metab Dispos 40: 2332-41 (2012)

More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM93639
PNG
(1,1-Dimethyl-4-(10-oxo-9,10-dihydro-1-thia-benzo[f...)
Show SMILES C[N+]1(C)CCC(CC1)=C1c2ccsc2C(=O)Cc2ccccc12
Show InChI InChI=1S/C20H22NOS/c1-21(2)10-7-14(8-11-21)19-16-6-4-3-5-15(16)13-18(22)20-17(19)9-12-23-20/h3-6,9,12H,7-8,10-11,13H2,1-2H3/q+1
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n/an/a 1.26E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2P849HJ
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM93639
PNG
(1,1-Dimethyl-4-(10-oxo-9,10-dihydro-1-thia-benzo[f...)
Show SMILES C[N+]1(C)CCC(CC1)=C1c2ccsc2C(=O)Cc2ccccc12
Show InChI InChI=1S/C20H22NOS/c1-21(2)10-7-14(8-11-21)19-16-6-4-3-5-15(16)13-18(22)20-17(19)9-12-23-20/h3-6,9,12H,7-8,10-11,13H2,1-2H3/q+1
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n/an/a 1.26E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM2870
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50002087
PNG
(4-(1-Methyl-piperidin-4-ylidene)-4,9-dihydro-1-thi...)
Show SMILES CN1CCC(CC1)=C1c2ccsc2C(=O)Cc2ccccc12
Show InChI InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase in guinea pig leukocyte


J Med Chem 32: 583-93 (1989)


Article DOI: 10.1021/jm00123a012
BindingDB Entry DOI: 10.7270/Q2N878R3
More data for this
Ligand-Target Pair