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BDBM50077581 (R)-2-(Benzylamino-methyl)-3,4,7,9-tetrahydro-2H-pyrano[2,3-e]indol-8-one::CHEMBL303556

SMILES: O=C1Cc2c(N1)ccc1CC[C@H](CNCc3ccccc3)Oc21

InChI Key: InChIKey=NPATVCXCHCPFCB-OAHLLOKOSA-N

Data: 8 KI

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 8 hits for monomerid = 50077581   
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
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50077581
PNG
((R)-2-(Benzylamino-methyl)-3,4,7,9-tetrahydro-2H-p...)
Show SMILES O=C1Cc2c(N1)ccc1CC[C@H](CNCc3ccccc3)Oc21
Show InChI InChI=1S/C19H20N2O2/c22-18-10-16-17(21-18)9-7-14-6-8-15(23-19(14)16)12-20-11-13-4-2-1-3-5-13/h1-5,7,9,15,20H,6,8,10-12H2,(H,21,22)/t15-/m1/s1
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0.140n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Affinity of compound for D2 receptor in rat striatal membrane determined for agonist state (high affinity state, D2 High) [3H]quinpirole as radioliga...


Bioorg Med Chem Lett 12: 271-4 (2002)


Article DOI: 10.1016/s0960-894x(01)00778-8
BindingDB Entry DOI: 10.7270/Q22J6CDZ
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50077581
PNG
((R)-2-(Benzylamino-methyl)-3,4,7,9-tetrahydro-2H-p...)
Show SMILES O=C1Cc2c(N1)ccc1CC[C@H](CNCc3ccccc3)Oc21
Show InChI InChI=1S/C19H20N2O2/c22-18-10-16-17(21-18)9-7-14-6-8-15(23-19(14)16)12-20-11-13-4-2-1-3-5-13/h1-5,7,9,15,20H,6,8,10-12H2,(H,21,22)/t15-/m1/s1
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0.140n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro high binding affinity towards Dopamine receptor D2 by the displacement of [3H]-quinpirole radioligand in rat striatal membranes


J Med Chem 42: 2007-20 (1999)


Article DOI: 10.1021/jm990023s
BindingDB Entry DOI: 10.7270/Q25D8R1W
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50077581
PNG
((R)-2-(Benzylamino-methyl)-3,4,7,9-tetrahydro-2H-p...)
Show SMILES O=C1Cc2c(N1)ccc1CC[C@H](CNCc3ccccc3)Oc21
Show InChI InChI=1S/C19H20N2O2/c22-18-10-16-17(21-18)9-7-14-6-8-15(23-19(14)16)12-20-11-13-4-2-1-3-5-13/h1-5,7,9,15,20H,6,8,10-12H2,(H,21,22)/t15-/m1/s1
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2.40n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for the Human Dopamine receptor D3 was determined using membranes from CHO cells labeled with [3H]spiperone


Bioorg Med Chem Lett 12: 271-4 (2002)


Article DOI: 10.1016/s0960-894x(01)00778-8
BindingDB Entry DOI: 10.7270/Q22J6CDZ
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50077581
PNG
((R)-2-(Benzylamino-methyl)-3,4,7,9-tetrahydro-2H-p...)
Show SMILES O=C1Cc2c(N1)ccc1CC[C@H](CNCc3ccccc3)Oc21
Show InChI InChI=1S/C19H20N2O2/c22-18-10-16-17(21-18)9-7-14-6-8-15(23-19(14)16)12-20-11-13-4-2-1-3-5-13/h1-5,7,9,15,20H,6,8,10-12H2,(H,21,22)/t15-/m1/s1
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5.90n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro low binding affinity towards Dopamine receptor D2 by the displacement of [3H]-spiperone radioligand in rat striatal membranes


J Med Chem 42: 2007-20 (1999)


Article DOI: 10.1021/jm990023s
BindingDB Entry DOI: 10.7270/Q25D8R1W
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50077581
PNG
((R)-2-(Benzylamino-methyl)-3,4,7,9-tetrahydro-2H-p...)
Show SMILES O=C1Cc2c(N1)ccc1CC[C@H](CNCc3ccccc3)Oc21
Show InChI InChI=1S/C19H20N2O2/c22-18-10-16-17(21-18)9-7-14-6-8-15(23-19(14)16)12-20-11-13-4-2-1-3-5-13/h1-5,7,9,15,20H,6,8,10-12H2,(H,21,22)/t15-/m1/s1
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5.90n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Affinity of compound for Dopamine receptor D2 in rat striatal membrane determined for antagonist state (low affinity state, D2 Low) with [3H]spiperon...


Bioorg Med Chem Lett 12: 271-4 (2002)


Article DOI: 10.1016/s0960-894x(01)00778-8
BindingDB Entry DOI: 10.7270/Q22J6CDZ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50077581
PNG
((R)-2-(Benzylamino-methyl)-3,4,7,9-tetrahydro-2H-p...)
Show SMILES O=C1Cc2c(N1)ccc1CC[C@H](CNCc3ccccc3)Oc21
Show InChI InChI=1S/C19H20N2O2/c22-18-10-16-17(21-18)9-7-14-6-8-15(23-19(14)16)12-20-11-13-4-2-1-3-5-13/h1-5,7,9,15,20H,6,8,10-12H2,(H,21,22)/t15-/m1/s1
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8.5n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 1A receptor by the displacement of [3H]-8-OH-DPAT radioligand in rat hippocampal homogenates


J Med Chem 42: 2007-20 (1999)


Article DOI: 10.1021/jm990023s
BindingDB Entry DOI: 10.7270/Q25D8R1W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50077581
PNG
((R)-2-(Benzylamino-methyl)-3,4,7,9-tetrahydro-2H-p...)
Show SMILES O=C1Cc2c(N1)ccc1CC[C@H](CNCc3ccccc3)Oc21
Show InChI InChI=1S/C19H20N2O2/c22-18-10-16-17(21-18)9-7-14-6-8-15(23-19(14)16)12-20-11-13-4-2-1-3-5-13/h1-5,7,9,15,20H,6,8,10-12H2,(H,21,22)/t15-/m1/s1
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9.30n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for the Dopamine receptor D2S was determined using membranes from CHO cells labeled with [3H]spiperone


Bioorg Med Chem Lett 12: 271-4 (2002)


Article DOI: 10.1016/s0960-894x(01)00778-8
BindingDB Entry DOI: 10.7270/Q22J6CDZ
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50077581
PNG
((R)-2-(Benzylamino-methyl)-3,4,7,9-tetrahydro-2H-p...)
Show SMILES O=C1Cc2c(N1)ccc1CC[C@H](CNCc3ccccc3)Oc21
Show InChI InChI=1S/C19H20N2O2/c22-18-10-16-17(21-18)9-7-14-6-8-15(23-19(14)16)12-20-11-13-4-2-1-3-5-13/h1-5,7,9,15,20H,6,8,10-12H2,(H,21,22)/t15-/m1/s1
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359n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for the Human Dopamine receptor D4 was determined using membranes from CHO cells labeled with [3H]spiperone


Bioorg Med Chem Lett 12: 271-4 (2002)


Article DOI: 10.1016/s0960-894x(01)00778-8
BindingDB Entry DOI: 10.7270/Q22J6CDZ
More data for this
Ligand-Target Pair