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3 similar compounds to monomer 50404050

Wt: 364.4
BDBM50073271
Wt: 394.4
BDBM50404048
Wt: 408.4
BDBM50404053

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50073271,50404048,50404053   
Target
(Institution)
LigandTarget
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50073271
PNG
(7-[3-(4-Phenyl-piperazin-1-yl)-propoxy]-chromen-2-...)
Show SMILES O=c1ccc2ccc(OCCCN3CCN(CC3)c3ccccc3)cc2o1
Show InChI InChI=1S/C22H24N2O3/c25-22-10-8-18-7-9-20(17-21(18)27-22)26-16-4-11-23-12-14-24(15-13-23)19-5-2-1-3-6-19/h1-3,5-10,17H,4,11-16H2
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PubMed
5.61n/an/an/an/an/an/an/an/a



University of Vigo

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of [3H]-8-OH-DPAT binding to rat hippocampus membrane (5-HT1A receptor)


Bioorg Med Chem Lett 8: 3567-70 (1999)

More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50404053
PNG
(CHEMBL51767)
Show SMILES COc1ccccc1N1CCN(CCCOc2ccc3c(C)cc(=O)oc3c2)CC1
Show InChI InChI=1S/C24H28N2O4/c1-18-16-24(27)30-23-17-19(8-9-20(18)23)29-15-5-10-25-11-13-26(14-12-25)21-6-3-4-7-22(21)28-2/h3-4,6-9,16-17H,5,10-15H2,1-2H3
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11.8n/an/an/an/an/an/an/an/a



University of Santiago

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 in rat frontal striatum using [3H]spiperone


Bioorg Med Chem Lett 13: 175-8 (2002)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50404053
PNG
(CHEMBL51767)
Show SMILES COc1ccccc1N1CCN(CCCOc2ccc3c(C)cc(=O)oc3c2)CC1
Show InChI InChI=1S/C24H28N2O4/c1-18-16-24(27)30-23-17-19(8-9-20(18)23)29-15-5-10-25-11-13-26(14-12-25)21-6-3-4-7-22(21)28-2/h3-4,6-9,16-17H,5,10-15H2,1-2H3
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Article
PubMed
12n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


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


J Med Chem 56: 4671-90 (2013)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50073271
PNG
(7-[3-(4-Phenyl-piperazin-1-yl)-propoxy]-chromen-2-...)
Show SMILES O=c1ccc2ccc(OCCCN3CCN(CC3)c3ccccc3)cc2o1
Show InChI InChI=1S/C22H24N2O3/c25-22-10-8-18-7-9-20(17-21(18)27-22)26-16-4-11-23-12-14-24(15-13-23)19-5-2-1-3-6-19/h1-3,5-10,17H,4,11-16H2
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16n/an/an/an/an/an/an/an/a



University of Vigo

Curated by ChEMBL


Assay Description
Compound was measured for the binding affinity in homogenated mouse fibroblast (LTK) cells transfected with human Dopamine receptor D2A using [3H]-ra...


Bioorg Med Chem Lett 8: 3567-70 (1999)

More data for this
Ligand-Target Pair
Dopamine receptors; D3 & D4


(Homo sapiens (Human))
BDBM50073271
PNG
(7-[3-(4-Phenyl-piperazin-1-yl)-propoxy]-chromen-2-...)
Show SMILES O=c1ccc2ccc(OCCCN3CCN(CC3)c3ccccc3)cc2o1
Show InChI InChI=1S/C22H24N2O3/c25-22-10-8-18-7-9-20(17-21(18)27-22)26-16-4-11-23-12-14-24(15-13-23)19-5-2-1-3-6-19/h1-3,5-10,17H,4,11-16H2
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49.7n/an/an/an/an/an/an/an/a



University of Vigo

Curated by ChEMBL


Assay Description
Compound was measured for the binding affinity in chinese hamster ovary (CHO) cells transfected with human Dopamine receptor D3 using [3H]-raclopride...


Bioorg Med Chem Lett 8: 3567-70 (1999)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50404053
PNG
(CHEMBL51767)
Show SMILES COc1ccccc1N1CCN(CCCOc2ccc3c(C)cc(=O)oc3c2)CC1
Show InChI InChI=1S/C24H28N2O4/c1-18-16-24(27)30-23-17-19(8-9-20(18)23)29-15-5-10-25-11-13-26(14-12-25)21-6-3-4-7-22(21)28-2/h3-4,6-9,16-17H,5,10-15H2,1-2H3
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174n/an/an/an/an/an/an/an/a



University of Santiago

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2A receptor using [3H]ketanserin


Bioorg Med Chem Lett 13: 175-8 (2002)

More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50404048
PNG
(CHEMBL48194)
Show SMILES COc1cc(=O)oc2cc(OCCCN3CCN(CC3)c3ccccc3)ccc12
Show InChI InChI=1S/C23H26N2O4/c1-27-21-17-23(26)29-22-16-19(8-9-20(21)22)28-15-5-10-24-11-13-25(14-12-24)18-6-3-2-4-7-18/h2-4,6-9,16-17H,5,10-15H2,1H3
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562n/an/an/an/an/an/an/an/a



University of Santiago

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 in rat frontal striatum using [3H]spiperone


Bioorg Med Chem Lett 13: 175-8 (2002)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50404048
PNG
(CHEMBL48194)
Show SMILES COc1cc(=O)oc2cc(OCCCN3CCN(CC3)c3ccccc3)ccc12
Show InChI InChI=1S/C23H26N2O4/c1-27-21-17-23(26)29-22-16-19(8-9-20(21)22)28-15-5-10-24-11-13-25(14-12-24)18-6-3-2-4-7-18/h2-4,6-9,16-17H,5,10-15H2,1H3
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PubMed
1.95E+3n/an/an/an/an/an/an/an/a



University of Santiago

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2A receptor using [3H]ketanserin


Bioorg Med Chem Lett 13: 175-8 (2002)

More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50404048
PNG
(CHEMBL48194)
Show SMILES COc1cc(=O)oc2cc(OCCCN3CCN(CC3)c3ccccc3)ccc12
Show InChI InChI=1S/C23H26N2O4/c1-27-21-17-23(26)29-22-16-19(8-9-20(21)22)28-15-5-10-24-11-13-25(14-12-24)18-6-3-2-4-7-18/h2-4,6-9,16-17H,5,10-15H2,1H3
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n/an/an/a 355n/an/an/an/an/a



University of Santiago

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1A adrenergic receptor in rat denuded thoracic aorta


Bioorg Med Chem Lett 13: 175-8 (2002)

More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50404053
PNG
(CHEMBL51767)
Show SMILES COc1ccccc1N1CCN(CCCOc2ccc3c(C)cc(=O)oc3c2)CC1
Show InChI InChI=1S/C24H28N2O4/c1-18-16-24(27)30-23-17-19(8-9-20(18)23)29-15-5-10-25-11-13-26(14-12-25)21-6-3-4-7-22(21)28-2/h3-4,6-9,16-17H,5,10-15H2,1-2H3
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n/an/an/a 0.851n/an/an/an/an/a



University of Santiago

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1A adrenergic receptor in rat denuded thoracic aorta


Bioorg Med Chem Lett 13: 175-8 (2002)

More data for this
Ligand-Target Pair