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PubMed code 6249933

Compile data set for download or QSAR
Found 12 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)		BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4|
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
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n/an/a 4.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration of compound for 50% displacement of [3H]QNB from Muscarinic acetylcholine receptor in rat brain

J Med Chem 23: 865-73 (1980)


BindingDB Entry DOI: 10.7270/Q2542QTR
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM31046
PNG
(3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...)
Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10|
Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)
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n/an/a 5.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration of compound for 50% displacement of [3H]WB-4101 from Alpha-1 adrenergic receptor of rat brain

J Med Chem 23: 865-73 (1980)


BindingDB Entry DOI: 10.7270/Q2542QTR
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...)		BDBM50001888
PNG
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
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n/an/a 111n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration of compound for 50% displacement of [3H]spiperone from Dopamine receptor in rat brain

J Med Chem 23: 865-73 (1980)


BindingDB Entry DOI: 10.7270/Q2542QTR
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...)		BDBM50222215
PNG
(CHEMBL172452)
Show SMILES CN1CCC2C(C1)CN1c3ccccc3CCc3cccc2c13
Show InChI InChI=1S/C21H24N2/c1-22-12-11-18-17(13-22)14-23-20-8-3-2-5-15(20)9-10-16-6-4-7-19(18)21(16)23/h2-8,17-18H,9-14H2,1H3
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n/an/a 112n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration of compound for 50% displacement of [3H]spiperone from Dopamine receptor in rat brain

J Med Chem 23: 865-73 (1980)


BindingDB Entry DOI: 10.7270/Q2542QTR
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...)		BDBM50222215
PNG
(CHEMBL172452)
Show SMILES CN1CCC2C(C1)CN1c3ccccc3CCc3cccc2c13
Show InChI InChI=1S/C21H24N2/c1-22-12-11-18-17(13-22)14-23-20-8-3-2-5-15(20)9-10-16-6-4-7-19(18)21(16)23/h2-8,17-18H,9-14H2,1H3
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n/an/a 112n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration of compound for 50% displacement of [3H]spiperone from Dopamine receptor in rat brain

J Med Chem 23: 865-73 (1980)


BindingDB Entry DOI: 10.7270/Q2542QTR
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50010859
PNG
(CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3
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n/an/a 160n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration of compound for 50% displacement of [3H]WB-4101 from Alpha-1 adrenergic receptor of rat brain

J Med Chem 23: 865-73 (1980)


BindingDB Entry DOI: 10.7270/Q2542QTR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)		BDBM50010859
PNG
(CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3
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n/an/a 269n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration of compound for 50% displacement of [3H]QNB from Muscarinic acetylcholine receptor in rat brain

J Med Chem 23: 865-73 (1980)


BindingDB Entry DOI: 10.7270/Q2542QTR
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50222215
PNG
(CHEMBL172452)
Show SMILES CN1CCC2C(C1)CN1c3ccccc3CCc3cccc2c13
Show InChI InChI=1S/C21H24N2/c1-22-12-11-18-17(13-22)14-23-20-8-3-2-5-15(20)9-10-16-6-4-7-19(18)21(16)23/h2-8,17-18H,9-14H2,1H3
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n/an/a 445n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration of compound for 50% displacement of [3H]WB-4101 from Alpha-1 adrenergic receptor of rat brain

J Med Chem 23: 865-73 (1980)


BindingDB Entry DOI: 10.7270/Q2542QTR
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50222215
PNG
(CHEMBL172452)
Show SMILES CN1CCC2C(C1)CN1c3ccccc3CCc3cccc2c13
Show InChI InChI=1S/C21H24N2/c1-22-12-11-18-17(13-22)14-23-20-8-3-2-5-15(20)9-10-16-6-4-7-19(18)21(16)23/h2-8,17-18H,9-14H2,1H3
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n/an/a 445n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration of compound for 50% displacement of [3H]WB-4101 from Alpha-1 adrenergic receptor of rat brain

J Med Chem 23: 865-73 (1980)


BindingDB Entry DOI: 10.7270/Q2542QTR
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...)		BDBM50010859
PNG
(CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3
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n/an/a 645n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration of compound for 50% displacement of [3H]spiperone from Dopamine receptor in rat brain

J Med Chem 23: 865-73 (1980)


BindingDB Entry DOI: 10.7270/Q2542QTR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)		BDBM50222215
PNG
(CHEMBL172452)
Show SMILES CN1CCC2C(C1)CN1c3ccccc3CCc3cccc2c13
Show InChI InChI=1S/C21H24N2/c1-22-12-11-18-17(13-22)14-23-20-8-3-2-5-15(20)9-10-16-6-4-7-19(18)21(16)23/h2-8,17-18H,9-14H2,1H3
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n/an/a 2.24E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration of compound for 50% displacement of [3H]QNB from Muscarinic acetylcholine receptor in rat brain

J Med Chem 23: 865-73 (1980)


BindingDB Entry DOI: 10.7270/Q2542QTR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)		BDBM50222215
PNG
(CHEMBL172452)
Show SMILES CN1CCC2C(C1)CN1c3ccccc3CCc3cccc2c13
Show InChI InChI=1S/C21H24N2/c1-22-12-11-18-17(13-22)14-23-20-8-3-2-5-15(20)9-10-16-6-4-7-19(18)21(16)23/h2-8,17-18H,9-14H2,1H3
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n/an/a 2.24E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration of compound for 50% displacement of [3H]QNB from Muscarinic acetylcholine receptor in rat brain

J Med Chem 23: 865-73 (1980)


BindingDB Entry DOI: 10.7270/Q2542QTR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%