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PubMed code 2571728

Compile data set for download or QSAR
Found 21 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
D(1A) dopamine receptor


(RAT)		BDBM50010592
PNG
(1-(8-Chloro-5-methylene-5H-dibenzo[a,d]cyclohepten...)
Show SMILES CN1CCN(CC1)C1=Cc2ccccc2C(=C)c2ccc(Cl)cc12 |t:8|
Show InChI InChI=1S/C21H21ClN2/c1-15-18-6-4-3-5-16(18)13-21(24-11-9-23(2)10-12-24)20-14-17(22)7-8-19(15)20/h3-8,13-14H,1,9-12H2,2H3
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n/an/a 21n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Binding activity against Dopamine receptor D1 in rat brain, using [3H]-SCH-23,390 as the radioligand

J Med Chem 32: 2261-8 (1989)


BindingDB Entry DOI: 10.7270/Q27W6B5D
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)		BDBM50010591
PNG
(11-(4-Methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]d...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H20N4/c1-21-10-12-22(13-11-21)18-14-6-2-3-7-15(14)19-16-8-4-5-9-17(16)20-18/h2-9,19H,10-13H2,1H3
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n/an/a 39n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Binding activity against muscarinic receptor in rat brain using [3H]QNB as the radioligand

J Med Chem 32: 2261-8 (1989)


BindingDB Entry DOI: 10.7270/Q27W6B5D
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)		BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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n/an/a 51n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Binding activity against muscarinic receptor in rat brain using [3H]QNB as the radioligand

J Med Chem 32: 2261-8 (1989)


BindingDB Entry DOI: 10.7270/Q27W6B5D
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)		BDBM50010594
PNG
(2-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(Cl)cc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-12-13(19)6-7-15(14)20-16-4-2-3-5-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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n/an/a 55n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Binding activity against muscarinic receptor in rat brain using [3H]QNB as the radioligand

J Med Chem 32: 2261-8 (1989)


BindingDB Entry DOI: 10.7270/Q27W6B5D
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50010594
PNG
(2-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(Cl)cc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-12-13(19)6-7-15(14)20-16-4-2-3-5-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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n/an/a 63n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Binding activity against dopamine D1 receptor in rat brain, using [3H]-SCH-23,390 as the radioligand

J Med Chem 32: 2261-8 (1989)


BindingDB Entry DOI: 10.7270/Q27W6B5D
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50017518
PNG
(1-(8-Chloro-5-methyl-5H-dibenzo[a,d]cyclohepten-10...)
Show SMILES CC1c2ccccc2C=C(N2CCN(C)CC2)c2cc(Cl)ccc12 |t:9|
Show InChI InChI=1S/C21H23ClN2/c1-15-18-6-4-3-5-16(18)13-21(24-11-9-23(2)10-12-24)20-14-17(22)7-8-19(15)20/h3-8,13-15H,9-12H2,1-2H3
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n/an/a 74n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Binding activity against Dopamine receptor D1 in rat brain, using [3H]-SCH-23,390 as the radioligand

J Med Chem 32: 2261-8 (1989)


BindingDB Entry DOI: 10.7270/Q27W6B5D
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)		BDBM50010592
PNG
(1-(8-Chloro-5-methylene-5H-dibenzo[a,d]cyclohepten...)
Show SMILES CN1CCN(CC1)C1=Cc2ccccc2C(=C)c2ccc(Cl)cc12 |t:8|
Show InChI InChI=1S/C21H21ClN2/c1-15-18-6-4-3-5-16(18)13-21(24-11-9-23(2)10-12-24)20-14-17(22)7-8-19(15)20/h3-8,13-14H,1,9-12H2,2H3
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n/an/a 150n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Binding activity against muscarinic acetylcholine receptor in rat brain using [3H]QNB as the radioligand

J Med Chem 32: 2261-8 (1989)


BindingDB Entry DOI: 10.7270/Q27W6B5D
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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n/an/a 192n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Binding activity against Dopamine receptor D1 in rat brain, using [3H]-SCH-23,390 as the radioligand

J Med Chem 32: 2261-8 (1989)


BindingDB Entry DOI: 10.7270/Q27W6B5D
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50010594
PNG
(2-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(Cl)cc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-12-13(19)6-7-15(14)20-16-4-2-3-5-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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n/an/a 218n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Binding activity against Dopamine receptor D2 in rat brain, using [3H]-Spiperone as the radioligand

J Med Chem 32: 2261-8 (1989)


BindingDB Entry DOI: 10.7270/Q27W6B5D
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50010592
PNG
(1-(8-Chloro-5-methylene-5H-dibenzo[a,d]cyclohepten...)
Show SMILES CN1CCN(CC1)C1=Cc2ccccc2C(=C)c2ccc(Cl)cc12 |t:8|
Show InChI InChI=1S/C21H21ClN2/c1-15-18-6-4-3-5-16(18)13-21(24-11-9-23(2)10-12-24)20-14-17(22)7-8-19(15)20/h3-8,13-14H,1,9-12H2,2H3
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n/an/a 305n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Binding activity against dopamine receptor D2 in rat brain, using [3H]-Spiperone as the radioligand

J Med Chem 32: 2261-8 (1989)


BindingDB Entry DOI: 10.7270/Q27W6B5D
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50017517
PNG
(1-(8-Chloro-5-ethylidene-5H-dibenzo[a,d]cyclohepte...)
Show SMILES C\C=C1\c2ccccc2C=C(N2CCN(C)CC2)c2cc(Cl)ccc12 |t:10|
Show InChI InChI=1S/C22H23ClN2/c1-3-18-19-7-5-4-6-16(19)14-22(25-12-10-24(2)11-13-25)21-15-17(23)8-9-20(18)21/h3-9,14-15H,10-13H2,1-2H3/b18-3-
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n/an/a 305n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Binding activity against Dopamine receptor D1 in rat brain, using [3H]-SCH-23,390 as the radioligand

J Med Chem 32: 2261-8 (1989)


BindingDB Entry DOI: 10.7270/Q27W6B5D
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)		BDBM50010596
PNG
(1-(8-Chloro-5-isopropylidene-5H-dibenzo[a,d]cycloh...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-1=[#6]-c2ccccc2\[#6](=[#6](\[#6])-[#6])-c2ccc(Cl)cc-12 |t:8|
Show InChI InChI=1S/C23H25ClN2/c1-16(2)23-19-7-5-4-6-17(19)14-22(26-12-10-25(3)11-13-26)21-15-18(24)8-9-20(21)23/h4-9,14-15H,10-13H2,1-3H3
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n/an/a 415n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Binding activity against muscarinic acetylcholine receptor in rat brain using [3H]QNB as the radioligand

J Med Chem 32: 2261-8 (1989)


BindingDB Entry DOI: 10.7270/Q27W6B5D
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50010596
PNG
(1-(8-Chloro-5-isopropylidene-5H-dibenzo[a,d]cycloh...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-1=[#6]-c2ccccc2\[#6](=[#6](\[#6])-[#6])-c2ccc(Cl)cc-12 |t:8|
Show InChI InChI=1S/C23H25ClN2/c1-16(2)23-19-7-5-4-6-17(19)14-22(26-12-10-25(3)11-13-26)21-15-18(24)8-9-20(21)23/h4-9,14-15H,10-13H2,1-3H3
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n/an/a 540n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Binding activity against Dopamine receptor D1 in rat brain, using [3H]-SCH-23,390 as the radioligand

J Med Chem 32: 2261-8 (1989)


BindingDB Entry DOI: 10.7270/Q27W6B5D
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50010591
PNG
(11-(4-Methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]d...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H20N4/c1-21-10-12-22(13-11-21)18-14-6-2-3-7-15(14)19-16-8-4-5-9-17(16)20-18/h2-9,19H,10-13H2,1H3
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n/an/a 895n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Binding activity against dopamine D1 receptor in rat brain, using [3H]-SCH-23,390 as the radioligand

J Med Chem 32: 2261-8 (1989)


BindingDB Entry DOI: 10.7270/Q27W6B5D
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)		BDBM50017518
PNG
(1-(8-Chloro-5-methyl-5H-dibenzo[a,d]cyclohepten-10...)
Show SMILES CC1c2ccccc2C=C(N2CCN(C)CC2)c2cc(Cl)ccc12 |t:9|
Show InChI InChI=1S/C21H23ClN2/c1-15-18-6-4-3-5-16(18)13-21(24-11-9-23(2)10-12-24)20-14-17(22)7-8-19(15)20/h3-8,13-15H,9-12H2,1-2H3
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n/an/a 1.02E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Binding activity against muscarinic acetylcholine receptor in rat brain using [3H]QNB as the radioligand

J Med Chem 32: 2261-8 (1989)


BindingDB Entry DOI: 10.7270/Q27W6B5D
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)		BDBM50017517
PNG
(1-(8-Chloro-5-ethylidene-5H-dibenzo[a,d]cyclohepte...)
Show SMILES C\C=C1\c2ccccc2C=C(N2CCN(C)CC2)c2cc(Cl)ccc12 |t:10|
Show InChI InChI=1S/C22H23ClN2/c1-3-18-19-7-5-4-6-16(19)14-22(25-12-10-24(2)11-13-25)21-15-17(23)8-9-20(18)21/h3-9,14-15H,10-13H2,1-2H3/b18-3-
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n/an/a 2.60E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Binding activity against muscarinic acetylcholine receptor in rat brain using [3H]QNB as the radioligand

J Med Chem 32: 2261-8 (1989)


BindingDB Entry DOI: 10.7270/Q27W6B5D
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50017518
PNG
(1-(8-Chloro-5-methyl-5H-dibenzo[a,d]cyclohepten-10...)
Show SMILES CC1c2ccccc2C=C(N2CCN(C)CC2)c2cc(Cl)ccc12 |t:9|
Show InChI InChI=1S/C21H23ClN2/c1-15-18-6-4-3-5-16(18)13-21(24-11-9-23(2)10-12-24)20-14-17(22)7-8-19(15)20/h3-8,13-15H,9-12H2,1-2H3
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n/an/a 2.65E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Binding activity against dopamine receptor D2 in rat brain, using [3H]-Spiperone as the radioligand

J Med Chem 32: 2261-8 (1989)


BindingDB Entry DOI: 10.7270/Q27W6B5D
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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n/an/a 2.77E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Binding activity against dopamine D2 receptor in rat brain, using [3H]-Spiperone as the radioligand

J Med Chem 32: 2261-8 (1989)


BindingDB Entry DOI: 10.7270/Q27W6B5D
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50010596
PNG
(1-(8-Chloro-5-isopropylidene-5H-dibenzo[a,d]cycloh...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-1=[#6]-c2ccccc2\[#6](=[#6](\[#6])-[#6])-c2ccc(Cl)cc-12 |t:8|
Show InChI InChI=1S/C23H25ClN2/c1-16(2)23-19-7-5-4-6-17(19)14-22(26-12-10-25(3)11-13-26)21-15-18(24)8-9-20(21)23/h4-9,14-15H,10-13H2,1-3H3
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n/an/a 4.75E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Binding activity against dopamine receptor D2 in rat brain, using [3H]-Spiperone as the radioligand

J Med Chem 32: 2261-8 (1989)


BindingDB Entry DOI: 10.7270/Q27W6B5D
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50017517
PNG
(1-(8-Chloro-5-ethylidene-5H-dibenzo[a,d]cyclohepte...)
Show SMILES C\C=C1\c2ccccc2C=C(N2CCN(C)CC2)c2cc(Cl)ccc12 |t:10|
Show InChI InChI=1S/C22H23ClN2/c1-3-18-19-7-5-4-6-16(19)14-22(25-12-10-24(2)11-13-25)21-15-17(23)8-9-20(18)21/h3-9,14-15H,10-13H2,1-2H3/b18-3-
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n/an/a 6.97E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Binding activity against dopamine receptor D2 in rat brain, using [3H]-Spiperone as the radioligand

J Med Chem 32: 2261-8 (1989)


BindingDB Entry DOI: 10.7270/Q27W6B5D
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50010591
PNG
(11-(4-Methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]d...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H20N4/c1-21-10-12-22(13-11-21)18-14-6-2-3-7-15(14)19-16-8-4-5-9-17(16)20-18/h2-9,19H,10-13H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Binding activity against dopamine D2 receptor in rat brain, using [3H]-Spiperone as the radioligand

J Med Chem 32: 2261-8 (1989)


BindingDB Entry DOI: 10.7270/Q27W6B5D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%