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PubMed code 7288815

Compile data set for download or QSAR
Found 18 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
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 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required (in vitro) to displace 50% specific binding of [3H]clozapine to Muscarinic acetylcholine receptor in rat brain

J Med Chem 24: 1021-6 (1981)


BindingDB Entry DOI: 10.7270/Q2348NKF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)		BDBM50028979
PNG
(8-Chloro-5-methyl-11-(4-methyl-piperazin-1-yl)-5H-...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(C)c2ccccc12 |t:8|
Show InChI InChI=1S/C19H21ClN4/c1-22-9-11-24(12-10-22)19-15-5-3-4-6-17(15)23(2)18-8-7-14(20)13-16(18)21-19/h3-8,13H,9-12H2,1-2H3
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required (in vitro) to displace 50% specific binding of [3H]clozapine to Muscarinic acetylcholine receptor in rat brain

J Med Chem 24: 1021-6 (1981)


BindingDB Entry DOI: 10.7270/Q2348NKF
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)		BDBM50028601
PNG
(1-(8-Chloro-5H-dibenzo[a,d]cyclohepten-10-yl)-4-me...)
Show SMILES CN1CCN(CC1)C1=Cc2ccccc2Cc2ccc(Cl)cc12 |t:8|
Show InChI InChI=1S/C20H21ClN2/c1-22-8-10-23(11-9-22)20-13-16-5-3-2-4-15(16)12-17-6-7-18(21)14-19(17)20/h2-7,13-14H,8-12H2,1H3
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n/an/a 39n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Relative affinity for dopamine receptor by displacement of [3H]spiroperidol (2.2 nM) from (in vitro) dopamine binding sites in rat caudate nuclei

J Med Chem 24: 1021-6 (1981)


BindingDB Entry DOI: 10.7270/Q2348NKF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)		BDBM50028980
PNG
(8-Chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,f]...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Oc2ccccc12 |t:8|
Show InChI InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-4-2-3-5-16(14)23-17-7-6-13(19)12-15(17)20-18/h2-7,12H,8-11H2,1H3
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n/an/a 49n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required (in vitro) to displace 50% specific binding of [3H]clozapine to Muscarinic acetylcholine receptor in rat brain

J Med Chem 24: 1021-6 (1981)


BindingDB Entry DOI: 10.7270/Q2348NKF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)		BDBM50028601
PNG
(1-(8-Chloro-5H-dibenzo[a,d]cyclohepten-10-yl)-4-me...)
Show SMILES CN1CCN(CC1)C1=Cc2ccccc2Cc2ccc(Cl)cc12 |t:8|
Show InChI InChI=1S/C20H21ClN2/c1-22-8-10-23(11-9-22)20-13-16-5-3-2-4-15(16)12-17-6-7-18(21)14-19(17)20/h2-7,13-14H,8-12H2,1H3
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n/an/a 290n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required (in vitro) to displace 50% specific binding of [3H]clozapine to Muscarinic acetylcholine receptor in rat brain

J Med Chem 24: 1021-6 (1981)


BindingDB Entry DOI: 10.7270/Q2348NKF
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)		BDBM50028599
PNG
(1-(2-Chloro-5H-dibenzo[a,d]cyclohepten-10-yl)-4-me...)
Show SMILES CN1CCN(CC1)C1=Cc2cc(Cl)ccc2Cc2ccccc12 |t:8|
Show InChI InChI=1S/C20H21ClN2/c1-22-8-10-23(11-9-22)20-14-17-13-18(21)7-6-15(17)12-16-4-2-3-5-19(16)20/h2-7,13-14H,8-12H2,1H3
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n/an/a 342n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Relative affinity for dopamine receptor by displacement of [3H]spiroperidol (2.2 nM) from (in vitro) dopamine binding sites in rat caudate nuclei

J Med Chem 24: 1021-6 (1981)


BindingDB Entry DOI: 10.7270/Q2348NKF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)		BDBM50223642
PNG
(CHEMBL7821)
Show SMILES CN1CCN(CC1)C1=Cc2ccccc2Cc2ccccc12 |t:8|
Show InChI InChI=1S/C20H22N2/c1-21-10-12-22(13-11-21)20-15-17-7-3-2-6-16(17)14-18-8-4-5-9-19(18)20/h2-9,15H,10-14H2,1H3
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n/an/a 610n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required (in vitro) to displace 50% specific binding of [3H]clozapine to Muscarinic acetylcholine receptor in rat brain

J Med Chem 24: 1021-6 (1981)


BindingDB Entry DOI: 10.7270/Q2348NKF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)		BDBM50028976
PNG
(4-(2-Chloro-5H-dibenzo[a,d]cyclohepten-10-yl)-1-me...)
Show SMILES CN1CCC(CC1)C1=Cc2cc(Cl)ccc2Cc2ccccc12 |t:8|
Show InChI InChI=1S/C21H22ClN/c1-23-10-8-15(9-11-23)21-14-18-13-19(22)7-6-16(18)12-17-4-2-3-5-20(17)21/h2-7,13-15H,8-12H2,1H3
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n/an/a 622n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required (in vitro) to displace 50% specific binding of [3H]clozapine to Muscarinic acetylcholine receptor in rat brain

J Med Chem 24: 1021-6 (1981)


BindingDB Entry DOI: 10.7270/Q2348NKF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)		BDBM50028599
PNG
(1-(2-Chloro-5H-dibenzo[a,d]cyclohepten-10-yl)-4-me...)
Show SMILES CN1CCN(CC1)C1=Cc2cc(Cl)ccc2Cc2ccccc12 |t:8|
Show InChI InChI=1S/C20H21ClN2/c1-22-8-10-23(11-9-22)20-14-17-13-18(21)7-6-15(17)12-16-4-2-3-5-19(16)20/h2-7,13-14H,8-12H2,1H3
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n/an/a 670n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required (in vitro) to displace 50% specific binding of [3H]clozapine to Muscarinic acetylcholine receptor in rat brain

J Med Chem 24: 1021-6 (1981)


BindingDB Entry DOI: 10.7270/Q2348NKF
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)		BDBM50028976
PNG
(4-(2-Chloro-5H-dibenzo[a,d]cyclohepten-10-yl)-1-me...)
Show SMILES CN1CCC(CC1)C1=Cc2cc(Cl)ccc2Cc2ccccc12 |t:8|
Show InChI InChI=1S/C21H22ClN/c1-23-10-8-15(9-11-23)21-14-18-13-19(22)7-6-16(18)12-17-4-2-3-5-20(17)21/h2-7,13-15H,8-12H2,1H3
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n/an/a 678n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Relative affinity for dopamine receptor by displacement of [3H]spiroperidol (2.2 nM) from (in vitro) dopamine binding sites in rat caudate nuclei

J Med Chem 24: 1021-6 (1981)


BindingDB Entry DOI: 10.7270/Q2348NKF
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-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 758n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Relative affinity for dopamine receptor by displacement of [3H]spiroperidol (2.2 nM) from (in vitro) dopamine binding sites in rat caudate nuclei

J Med Chem 24: 1021-6 (1981)


BindingDB Entry DOI: 10.7270/Q2348NKF
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)		BDBM50223642
PNG
(CHEMBL7821)
Show SMILES CN1CCN(CC1)C1=Cc2ccccc2Cc2ccccc12 |t:8|
Show InChI InChI=1S/C20H22N2/c1-21-10-12-22(13-11-21)20-15-17-7-3-2-6-16(17)14-18-8-4-5-9-19(18)20/h2-9,15H,10-14H2,1H3
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n/an/a 808n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Relative affinity for dopamine receptor by displacement of [3H]spiroperidol (2.2 nM) from (in vitro) dopamine binding sites in rat caudate nuclei

J Med Chem 24: 1021-6 (1981)


BindingDB Entry DOI: 10.7270/Q2348NKF
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)		BDBM50028980
PNG
(8-Chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,f]...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Oc2ccccc12 |t:8|
Show InChI InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-4-2-3-5-16(14)23-17-7-6-13(19)12-15(17)20-18/h2-7,12H,8-11H2,1H3
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n/an/a 2.48E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Relative affinity for dopamine receptor by displacement of [3H]spiroperidol (2.2 nM) from (in vitro) dopamine binding sites in rat caudate nuclei

J Med Chem 24: 1021-6 (1981)


BindingDB Entry DOI: 10.7270/Q2348NKF
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-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 4.31E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Relative affinity for dopamine receptor by displacement of [3H]spiroperidol (2.2 nM) from (in vitro) dopamine binding sites in rat caudate nuclei

J Med Chem 24: 1021-6 (1981)


BindingDB Entry DOI: 10.7270/Q2348NKF
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)		BDBM50028978
PNG
(1-(2-Chloro-5H-dibenzo[a,d]cyclohepten-10-yl)-4-me...)
Show SMILES CC1CCN(CC1)C1=Cc2cc(Cl)ccc2Cc2ccccc12 |t:8|
Show InChI InChI=1S/C21H22ClN/c1-15-8-10-23(11-9-15)21-14-18-13-19(22)7-6-16(18)12-17-4-2-3-5-20(17)21/h2-7,13-15H,8-12H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Relative affinity for dopamine receptor by displacement of [3H]spiroperidol (2.2 nM) from (in vitro) dopamine binding sites in rat caudate nuclei

J Med Chem 24: 1021-6 (1981)


BindingDB Entry DOI: 10.7270/Q2348NKF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)		BDBM50028978
PNG
(1-(2-Chloro-5H-dibenzo[a,d]cyclohepten-10-yl)-4-me...)
Show SMILES CC1CCN(CC1)C1=Cc2cc(Cl)ccc2Cc2ccccc12 |t:8|
Show InChI InChI=1S/C21H22ClN/c1-15-8-10-23(11-9-15)21-14-18-13-19(22)7-6-16(18)12-17-4-2-3-5-20(17)21/h2-7,13-15H,8-12H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required (in vitro) to displace 50% specific binding of [3H]clozapine to Muscarinic acetylcholine receptor in rat brain

J Med Chem 24: 1021-6 (1981)


BindingDB Entry DOI: 10.7270/Q2348NKF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)		BDBM50223641
PNG
(CHEMBL266816)
Show SMILES CC1CCN(CC1)C1=Cc2ccccc2Cc2ccc(Cl)cc12 |t:8|
Show InChI InChI=1S/C21H22ClN/c1-15-8-10-23(11-9-15)21-13-17-5-3-2-4-16(17)12-18-6-7-19(22)14-20(18)21/h2-7,13-15H,8-12H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required (in vitro) to displace 50% specific binding of [3H]clozapine to Muscarinic acetylcholine receptor in rat brain

J Med Chem 24: 1021-6 (1981)


BindingDB Entry DOI: 10.7270/Q2348NKF
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)		BDBM50028979
PNG
(8-Chloro-5-methyl-11-(4-methyl-piperazin-1-yl)-5H-...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(C)c2ccccc12 |t:8|
Show InChI InChI=1S/C19H21ClN4/c1-22-9-11-24(12-10-22)19-15-5-3-4-6-17(15)23(2)18-8-7-14(20)13-16(18)21-19/h3-8,13H,9-12H2,1-2H3
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n/an/a 3.24E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Relative affinity for dopamine receptor by displacement of [3H]spiroperidol (2.2 nM) from (in vitro) dopamine binding sites in rat caudate nuclei

J Med Chem 24: 1021-6 (1981)


BindingDB Entry DOI: 10.7270/Q2348NKF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%