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2 similar compounds to monomer 50334150

Compile data set for download or QSAR
Wt: 381.4
BDBM81492
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Wt: 367.4
BDBM50088142

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 81492,50088142   
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM81492
PNG
(BENPERIDOL | CAS_2062-84-2 | NSC_16363)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C22H24FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)
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0.0270n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Mol Psychiatry 3: 123-34 (1998)


BindingDB Entry DOI: 10.7270/Q2G15ZCQ
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM81492
PNG
(BENPERIDOL | CAS_2062-84-2 | NSC_16363)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C22H24FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)
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0.0660n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Mol Psychiatry 3: 123-34 (1998)


BindingDB Entry DOI: 10.7270/Q2G15ZCQ
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM81492
PNG
(BENPERIDOL | CAS_2062-84-2 | NSC_16363)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C22H24FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)
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0.330n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 12: 800-12 (1976)


BindingDB Entry DOI: 10.7270/Q22B8WH6
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM81492
PNG
(BENPERIDOL | CAS_2062-84-2 | NSC_16363)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C22H24FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)
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Article
PubMed
0.330n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




J Neuropsychiatry Clin Neurosci 8: 223-6 (1996)


Article DOI: 10.1176/jnp.8.2.223
BindingDB Entry DOI: 10.7270/Q27S7M9V
More data for this
Ligand-Target Pair
DRD1


(BOVINE)
BDBM81492
PNG
(BENPERIDOL | CAS_2062-84-2 | NSC_16363)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C22H24FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)
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4.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




J Neuropsychiatry Clin Neurosci 8: 223-6 (1996)


Article DOI: 10.1176/jnp.8.2.223
BindingDB Entry DOI: 10.7270/Q27S7M9V
More data for this
Ligand-Target Pair
DRD1


(BOVINE)
BDBM81492
PNG
(BENPERIDOL | CAS_2062-84-2 | NSC_16363)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C22H24FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)
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4.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 12: 800-12 (1976)


BindingDB Entry DOI: 10.7270/Q22B8WH6
More data for this
Ligand-Target Pair
NMDA receptor subunit 3A-1 (GluN3A)


(Rattus norvegicus (Rat))
BDBM50088142
PNG
(1-{3-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-propyl}-...)
Show SMILES Fc1ccc(CC2CCN(CCCn3c4ccccc4[nH]c3=O)CC2)cc1
Show InChI InChI=1S/C22H26FN3O/c23-19-8-6-17(7-9-19)16-18-10-14-25(15-11-18)12-3-13-26-21-5-2-1-4-20(21)24-22(26)27/h1-2,4-9,18H,3,10-16H2,(H,24,27)
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Article
PubMed
n/an/a 110n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of NMDA responses at NR1A/2B receptor expressed in Xenopus oocytes


J Med Chem 43: 1892-7 (2000)


Article DOI: 10.1021/jm990537r
BindingDB Entry DOI: 10.7270/Q2V40TFH
More data for this
Ligand-Target Pair
NMDA receptor subunit 3A-1 (GluN3A)


(Rattus norvegicus (Rat))
BDBM50088142
PNG
(1-{3-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-propyl}-...)
Show SMILES Fc1ccc(CC2CCN(CCCn3c4ccccc4[nH]c3=O)CC2)cc1
Show InChI InChI=1S/C22H26FN3O/c23-19-8-6-17(7-9-19)16-18-10-14-25(15-11-18)12-3-13-26-21-5-2-1-4-20(21)24-22(26)27/h1-2,4-9,18H,3,10-16H2,(H,24,27)
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of NMDA responses at NR1A/2A receptor expressed in Xenopus oocytes


J Med Chem 43: 1892-7 (2000)


Article DOI: 10.1021/jm990537r
BindingDB Entry DOI: 10.7270/Q2V40TFH
More data for this
Ligand-Target Pair
NMDA receptor subunit 2C (GluN2C)


(Rattus norvegicus (Rat))
BDBM50088142
PNG
(1-{3-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-propyl}-...)
Show SMILES Fc1ccc(CC2CCN(CCCn3c4ccccc4[nH]c3=O)CC2)cc1
Show InChI InChI=1S/C22H26FN3O/c23-19-8-6-17(7-9-19)16-18-10-14-25(15-11-18)12-3-13-26-21-5-2-1-4-20(21)24-22(26)27/h1-2,4-9,18H,3,10-16H2,(H,24,27)
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of NMDA responses at NR1A/2C receptor expressed in Xenopus oocytes


J Med Chem 43: 1892-7 (2000)


Article DOI: 10.1021/jm990537r
BindingDB Entry DOI: 10.7270/Q2V40TFH
More data for this
Ligand-Target Pair