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44 similar compounds to monomer 48320

Compile data set for download or QSAR
Wt: 340.8
BDBM50450876
Wt: 487.7
BDBM81950
Wt: 343.8
BDBM50452525
Wt: 285.7
BDBM50023811
Purchase
Wt: 343.8
BDBM50023813
Wt: 329.8
BDBM50023814
Wt: 357.8
BDBM50023820
Wt: 373.8
BDBM50023823
Wt: 339.8
BDBM50023827
Wt: 327.8
BDBM50023829
Wt: 339.8
BDBM50023837
Wt: 373.8
BDBM50023842
Wt: 343.8
BDBM50023845
Wt: 324.8
BDBM50023800
Wt: 313.8
BDBM50023803
Displayed 1 to 15 (of 44 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 50450876,81950,50452525,50023811,50023813,50023814,50023820,50023823,50023827,50023829,50023837,50023842,50023845,50023800,50023803   
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/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM81950
PNG
(CAS_130377 | NSC_130377 | Spectramide)
Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)NCCN(C)Cc1ccc(I)cc1
Show InChI InChI=1S/C19H23ClIN3O2/c1-22-17-11-18(26-3)15(10-16(17)20)19(25)23-8-9-24(2)12-13-4-6-14(21)7-5-13/h4-7,10-11,22H,8-9,12H2,1-3H3,(H,23,25)
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0.130n/an/an/an/an/an/an/an/a



NIDA Addiction Research Center

Curated by PDSP Ki Database




Life Sci 45: 1821-9 (1989)


BindingDB Entry DOI: 10.7270/Q20Z71SN
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM81950
PNG
(CAS_130377 | NSC_130377 | Spectramide)
Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)NCCN(C)Cc1ccc(I)cc1
Show InChI InChI=1S/C19H23ClIN3O2/c1-22-17-11-18(26-3)15(10-16(17)20)19(25)23-8-9-24(2)12-13-4-6-14(21)7-5-13/h4-7,10-11,22H,8-9,12H2,1-3H3,(H,23,25)
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0.215n/an/an/an/an/an/an/an/a



NIDA Addiction Research Center

Curated by PDSP Ki Database




Life Sci 45: 1821-9 (1989)


BindingDB Entry DOI: 10.7270/Q20Z71SN
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM81950
PNG
(CAS_130377 | NSC_130377 | Spectramide)
Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)NCCN(C)Cc1ccc(I)cc1
Show InChI InChI=1S/C19H23ClIN3O2/c1-22-17-11-18(26-3)15(10-16(17)20)19(25)23-8-9-24(2)12-13-4-6-14(21)7-5-13/h4-7,10-11,22H,8-9,12H2,1-3H3,(H,23,25)
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62n/an/an/an/an/an/an/an/a



NIDA Addiction Research Center

Curated by PDSP Ki Database




Life Sci 45: 1821-9 (1989)


BindingDB Entry DOI: 10.7270/Q20Z71SN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM81950
PNG
(CAS_130377 | NSC_130377 | Spectramide)
Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)NCCN(C)Cc1ccc(I)cc1
Show InChI InChI=1S/C19H23ClIN3O2/c1-22-17-11-18(26-3)15(10-16(17)20)19(25)23-8-9-24(2)12-13-4-6-14(21)7-5-13/h4-7,10-11,22H,8-9,12H2,1-3H3,(H,23,25)
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110n/an/an/an/an/an/an/an/a



NIDA Addiction Research Center

Curated by PDSP Ki Database




Life Sci 45: 1821-9 (1989)


BindingDB Entry DOI: 10.7270/Q20Z71SN
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM81950
PNG
(CAS_130377 | NSC_130377 | Spectramide)
Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)NCCN(C)Cc1ccc(I)cc1
Show InChI InChI=1S/C19H23ClIN3O2/c1-22-17-11-18(26-3)15(10-16(17)20)19(25)23-8-9-24(2)12-13-4-6-14(21)7-5-13/h4-7,10-11,22H,8-9,12H2,1-3H3,(H,23,25)
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209n/an/an/an/an/an/an/an/a



NIDA Addiction Research Center

Curated by PDSP Ki Database




Life Sci 45: 1821-9 (1989)


BindingDB Entry DOI: 10.7270/Q20Z71SN
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM81950
PNG
(CAS_130377 | NSC_130377 | Spectramide)
Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)NCCN(C)Cc1ccc(I)cc1
Show InChI InChI=1S/C19H23ClIN3O2/c1-22-17-11-18(26-3)15(10-16(17)20)19(25)23-8-9-24(2)12-13-4-6-14(21)7-5-13/h4-7,10-11,22H,8-9,12H2,1-3H3,(H,23,25)
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1.79E+3n/an/an/an/an/an/an/an/a



NIDA Addiction Research Center

Curated by PDSP Ki Database




Life Sci 45: 1821-9 (1989)


BindingDB Entry DOI: 10.7270/Q20Z71SN
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM81950
PNG
(CAS_130377 | NSC_130377 | Spectramide)
Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)NCCN(C)Cc1ccc(I)cc1
Show InChI InChI=1S/C19H23ClIN3O2/c1-22-17-11-18(26-3)15(10-16(17)20)19(25)23-8-9-24(2)12-13-4-6-14(21)7-5-13/h4-7,10-11,22H,8-9,12H2,1-3H3,(H,23,25)
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1.88E+3n/an/an/an/an/an/an/an/a



NIDA Addiction Research Center

Curated by PDSP Ki Database




Life Sci 45: 1821-9 (1989)


BindingDB Entry DOI: 10.7270/Q20Z71SN
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM81950
PNG
(CAS_130377 | NSC_130377 | Spectramide)
Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)NCCN(C)Cc1ccc(I)cc1
Show InChI InChI=1S/C19H23ClIN3O2/c1-22-17-11-18(26-3)15(10-16(17)20)19(25)23-8-9-24(2)12-13-4-6-14(21)7-5-13/h4-7,10-11,22H,8-9,12H2,1-3H3,(H,23,25)
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2.72E+3n/an/an/an/an/an/an/an/a



NIDA Addiction Research Center

Curated by PDSP Ki Database




Life Sci 45: 1821-9 (1989)


BindingDB Entry DOI: 10.7270/Q20Z71SN
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50023827
PNG
(4-Amino-2-but-2-enyloxy-5-chloro-N-(2-diethylamino...)
Show SMILES CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC\C=C\C
Show InChI InChI=1S/C17H26ClN3O2/c1-4-7-10-23-16-12-15(19)14(18)11-13(16)17(22)20-8-9-21(5-2)6-3/h4,7,11-12H,5-6,8-10,19H2,1-3H3,(H,20,22)/b7-4+
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against Dopamine receptor D2 was evaluated for the inhibition of [3H]spiperone binding


J Med Chem 31: 1548-58 (1988)


Article DOI: 10.1021/jm00403a011
BindingDB Entry DOI: 10.7270/Q25B032R
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50023829
PNG
(4-Amino-5-chloro-N-(2-diethylamino-ethyl)-2-propox...)
Show SMILES CCCOc1cc(N)c(Cl)cc1C(=O)NCCN(CC)CC
Show InChI InChI=1S/C16H26ClN3O2/c1-4-9-22-15-11-14(18)13(17)10-12(15)16(21)19-7-8-20(5-2)6-3/h10-11H,4-9,18H2,1-3H3,(H,19,21)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against Dopamine receptor D2 was evaluated for the inhibition of [3H]spiperone binding


J Med Chem 31: 1548-58 (1988)


Article DOI: 10.1021/jm00403a011
BindingDB Entry DOI: 10.7270/Q25B032R
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50023813
PNG
(4-Amino-5-chloro-N-(2-diethylamino-ethyl)-2-(2-hyd...)
Show SMILES CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OCC(C)O
Show InChI InChI=1S/C16H26ClN3O3/c1-4-20(5-2)7-6-19-16(22)12-8-13(17)14(18)9-15(12)23-10-11(3)21/h8-9,11,21H,4-7,10,18H2,1-3H3,(H,19,22)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against Dopamine receptor D2 was evaluated for the inhibition of [3H]spiperone binding


J Med Chem 31: 1548-58 (1988)


Article DOI: 10.1021/jm00403a011
BindingDB Entry DOI: 10.7270/Q25B032R
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50023837
PNG
(4-Amino-5-chloro-N-(2-diethylamino-ethyl)-2-(2-met...)
Show SMILES CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OCC(C)=C
Show InChI InChI=1S/C17H26ClN3O2/c1-5-21(6-2)8-7-20-17(22)13-9-14(18)15(19)10-16(13)23-11-12(3)4/h9-10H,3,5-8,11,19H2,1-2,4H3,(H,20,22)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against Dopamine receptor D2 was evaluated for the inhibition of [3H]spiperone binding


J Med Chem 31: 1548-58 (1988)


Article DOI: 10.1021/jm00403a011
BindingDB Entry DOI: 10.7270/Q25B032R
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50023842
PNG
(4-Amino-5-chloro-N-(2-diethylamino-ethyl)-2-(2-hyd...)
Show SMILES CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OCC(O)COC
Show InChI InChI=1S/C17H28ClN3O4/c1-4-21(5-2)7-6-20-17(23)13-8-14(18)15(19)9-16(13)25-11-12(22)10-24-3/h8-9,12,22H,4-7,10-11,19H2,1-3H3,(H,20,23)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against Dopamine receptor D2 was evaluated for the inhibition of [3H]spiperone binding


J Med Chem 31: 1548-58 (1988)


Article DOI: 10.1021/jm00403a011
BindingDB Entry DOI: 10.7270/Q25B032R
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50023845
PNG
(4-Amino-5-chloro-N-(2-diethylamino-ethyl)-2-(2-met...)
Show SMILES CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OCCOC
Show InChI InChI=1S/C16H26ClN3O3/c1-4-20(5-2)7-6-19-16(21)12-10-13(17)14(18)11-15(12)23-9-8-22-3/h10-11H,4-9,18H2,1-3H3,(H,19,21)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against Dopamine receptor D2 was evaluated for the inhibition of [3H]spiperone binding


J Med Chem 31: 1548-58 (1988)


Article DOI: 10.1021/jm00403a011
BindingDB Entry DOI: 10.7270/Q25B032R
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50450876
PNG
(CHEMBL2093034)
Show SMILES CCN1CCN(C)C[C@@H](C1)NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C16H25ClN4O2/c1-4-21-6-5-20(2)9-11(10-21)19-16(22)12-7-13(17)14(18)8-15(12)23-3/h7-8,11H,4-6,9-10,18H2,1-3H3,(H,19,22)/t11-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 receptor in rat cortical membrane using [3H]GR-65630 as radioligand


Bioorg Med Chem Lett 8: 619-24 (1999)


Article DOI: 10.1016/s0960-894x(98)00078-x
BindingDB Entry DOI: 10.7270/Q25Q4WN6
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50023823
PNG
(4-Amino-5-chloro-N-(2-diethylamino-ethyl)-2-(2-met...)
Show SMILES CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OCOCCOC
Show InChI InChI=1S/C17H28ClN3O4/c1-4-21(5-2)7-6-20-17(22)13-10-14(18)15(19)11-16(13)25-12-24-9-8-23-3/h10-11H,4-9,12,19H2,1-3H3,(H,20,22)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against Dopamine receptor D2 was evaluated for the inhibition of [3H]spiperone binding


J Med Chem 31: 1548-58 (1988)


Article DOI: 10.1021/jm00403a011
BindingDB Entry DOI: 10.7270/Q25B032R
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50023820
PNG
(4-Amino-5-chloro-N-(2-diethylamino-ethyl)-2-(3-hyd...)
Show SMILES CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OCCC(C)O
Show InChI InChI=1S/C17H28ClN3O3/c1-4-21(5-2)8-7-20-17(23)13-10-14(18)15(19)11-16(13)24-9-6-12(3)22/h10-12,22H,4-9,19H2,1-3H3,(H,20,23)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against Dopamine receptor D2 was evaluated for the inhibition of [3H]spiperone binding


J Med Chem 31: 1548-58 (1988)


Article DOI: 10.1021/jm00403a011
BindingDB Entry DOI: 10.7270/Q25B032R
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50023814
PNG
(4-Amino-5-chloro-N-(2-diethylamino-ethyl)-2-(2-hyd...)
Show SMILES CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OCCO
Show InChI InChI=1S/C15H24ClN3O3/c1-3-19(4-2)6-5-18-15(21)11-9-12(16)13(17)10-14(11)22-8-7-20/h9-10,20H,3-8,17H2,1-2H3,(H,18,21)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against Dopamine receptor D2 was evaluated for the inhibition of [3H]spiperone binding


J Med Chem 31: 1548-58 (1988)


Article DOI: 10.1021/jm00403a011
BindingDB Entry DOI: 10.7270/Q25B032R
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50023811
PNG
(4-Amino-5-chloro-N-(2-diethylamino-ethyl)-2-hydrox...)
Show SMILES CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1O
Show InChI InChI=1S/C13H20ClN3O2/c1-3-17(4-2)6-5-16-13(19)9-7-10(14)11(15)8-12(9)18/h7-8,18H,3-6,15H2,1-2H3,(H,16,19)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against Dopamine receptor D2 was evaluated for the inhibition of [3H]spiperone binding


J Med Chem 31: 1548-58 (1988)


Article DOI: 10.1021/jm00403a011
BindingDB Entry DOI: 10.7270/Q25B032R
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50452525
PNG
(CHEMBL2114431)
Show SMILES CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC[C@@H](C)O
Show InChI InChI=1S/C16H26ClN3O3/c1-4-20(5-2)7-6-19-16(22)12-8-13(17)14(18)9-15(12)23-10-11(3)21/h8-9,11,21H,4-7,10,18H2,1-3H3,(H,19,22)/t11-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against Dopamine receptor D2 was evaluated for the inhibition of [3H]spiperone binding


J Med Chem 31: 1548-58 (1988)


Article DOI: 10.1021/jm00403a011
BindingDB Entry DOI: 10.7270/Q25B032R
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50023800
PNG
(4-Amino-5-chloro-2-cyanomethoxy-N-(2-diethylamino-...)
Show SMILES CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OCC#N
Show InChI InChI=1S/C15H21ClN4O2/c1-3-20(4-2)7-6-19-15(21)11-9-12(16)13(18)10-14(11)22-8-5-17/h9-10H,3-4,6-8,18H2,1-2H3,(H,19,21)
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Bristol-Myers Company

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against Dopamine receptor D2 was evaluated for the inhibition of [3H]spiperone binding


J Med Chem 31: 1548-58 (1988)


Article DOI: 10.1021/jm00403a011
BindingDB Entry DOI: 10.7270/Q25B032R
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50452525
PNG
(CHEMBL2114431)
Show SMILES CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC[C@@H](C)O
Show InChI InChI=1S/C16H26ClN3O3/c1-4-20(5-2)7-6-19-16(22)12-8-13(17)14(18)9-15(12)23-10-11(3)21/h8-9,11,21H,4-7,10,18H2,1-3H3,(H,19,22)/t11-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against Dopamine receptor D2 was evaluated for the inhibition of [3H]spiperone binding


J Med Chem 31: 1548-58 (1988)


Article DOI: 10.1021/jm00403a011
BindingDB Entry DOI: 10.7270/Q25B032R
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50450876
PNG
(CHEMBL2093034)
Show SMILES CCN1CCN(C)C[C@@H](C1)NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C16H25ClN4O2/c1-4-21-6-5-20(2)9-11(10-21)19-16(22)12-7-13(17)14(18)8-15(12)23-3/h7-8,11H,4-6,9-10,18H2,1-3H3,(H,19,22)/t11-/m0/s1
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Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine D2 receptor in rat brain synaptic membrane using [3H]-spiperone as radioligand


Bioorg Med Chem Lett 8: 619-24 (1999)


Article DOI: 10.1016/s0960-894x(98)00078-x
BindingDB Entry DOI: 10.7270/Q25Q4WN6
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50023803
PNG
(4-Amino-5-chloro-N-(2-diethylamino-ethyl)-2-methox...)
Show SMILES CCN(CC)CCN(C)C(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C15H24ClN3O2/c1-5-19(6-2)8-7-18(3)15(20)11-9-12(16)13(17)10-14(11)21-4/h9-10H,5-8,17H2,1-4H3
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Bristol-Myers Company

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against Dopamine receptor D2 was evaluated for the inhibition of [3H]spiperone binding


J Med Chem 31: 1548-58 (1988)


Article DOI: 10.1021/jm00403a011
BindingDB Entry DOI: 10.7270/Q25B032R
More data for this
Ligand-Target Pair