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Compile Data Set for Download or QSAR

Found 91 hits Enz. Inhib. hit(s) with all data for entry = 50035520   
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
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus)
BDBM50026953
PNG
((cis) 3-{4-[3-(3,4-Dichloro-phenyl)-indan-1-yl]-pi...)
Show SMILES OCCCN1CCN(CC1)C1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H26Cl2N2O/c23-20-7-6-16(14-21(20)24)19-15-22(18-5-2-1-4-17(18)19)26-11-9-25(10-12-26)8-3-13-27/h1-2,4-7,14,19,22,27H,3,8-13,15H2
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n/an/a 0.300n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50021224
PNG
((+) (trans) 1-[3-(3,4-Dichloro-phenyl)-indan-1-yl]...)
Show SMILES CN1CCN(CC1)C1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H22Cl2N2/c1-23-8-10-24(11-9-23)20-13-17(15-4-2-3-5-16(15)20)14-6-7-18(21)19(22)12-14/h2-7,12,17,20H,8-11,13H2,1H3
MMDB

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n/an/a 2.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus)
BDBM50021224
PNG
((+) (trans) 1-[3-(3,4-Dichloro-phenyl)-indan-1-yl]...)
Show SMILES CN1CCN(CC1)C1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H22Cl2N2/c1-23-8-10-24(11-9-23)20-13-17(15-4-2-3-5-16(15)20)14-6-7-18(21)19(22)12-14/h2-7,12,17,20H,8-11,13H2,1H3
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n/an/a 2.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50026958
PNG
((cis) 2-{4-[3-(3,4-Dichloro-phenyl)-indan-1-yl]-pi...)
Show SMILES Cl.Cl.OCCN1CCN(CC1)C1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H24Cl2N2O.2ClH/c22-19-6-5-15(13-20(19)23)18-14-21(17-4-2-1-3-16(17)18)25-9-7-24(8-10-25)11-12-26;;/h1-6,13,18,21,26H,7-12,14H2;2*1H
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n/an/a 2.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM22872
PNG
(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM79172
PNG
(2-[4-[(3Z)-3-[2-(trifluoromethyl)-9-thioxanthenyli...)
Show SMILES OCCN1CCN(CC\C=C2\c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5-
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50021224
PNG
((+) (trans) 1-[3-(3,4-Dichloro-phenyl)-indan-1-yl]...)
Show SMILES CN1CCN(CC1)C1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H22Cl2N2/c1-23-8-10-24(11-9-23)20-13-17(15-4-2-3-5-16(15)20)14-6-7-18(21)19(22)12-14/h2-7,12,17,20H,8-11,13H2,1H3
MMDB

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n/an/a 4.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50026952
PNG
((cis) [3-(3,4-Dichloro-phenyl)-bicyclo[2.2.2]oct-2...)
Show SMILES CN(C)C[C@@H]1C2CCC(CC2)[C@@H]1c1ccc(Cl)c(Cl)c1 |wU:11.13,4.3,TLB:12:11:6.7:10.9,THB:3:4:6.7:10.9,(4.42,-5.07,;3.76,-3.67,;2.22,-3.53,;4.65,-2.41,;4,-1.01,;5.68,-.26,;5.79,1.35,;5.19,2.75,;5.16,1.21,;6.61,.69,;7.15,-.75,;3.76,.53,;2.43,1.3,;1.1,.53,;-.23,1.3,;-.23,2.84,;-1.58,3.63,;1.1,3.61,;1.1,5.15,;2.43,2.84,)|
Show InChI InChI=1S/C17H23Cl2N/c1-20(2)10-14-11-3-5-12(6-4-11)17(14)13-7-8-15(18)16(19)9-13/h7-9,11-12,14,17H,3-6,10H2,1-2H3/t11?,12?,14-,17-/m1/s1
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n/an/a 5.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on synaptosomal uptake inhibition of Noradrenaline (NA)


J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50026953
PNG
((cis) 3-{4-[3-(3,4-Dichloro-phenyl)-indan-1-yl]-pi...)
Show SMILES OCCCN1CCN(CC1)C1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H26Cl2N2O/c23-20-7-6-16(14-21(20)24)19-15-22(18-5-2-1-4-17(18)19)26-11-9-25(10-12-26)8-3-13-27/h1-2,4-7,14,19,22,27H,3,8-13,15H2
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n/an/a 5.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50005548
PNG
((+)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinol...)
Show SMILES CN1CC(c2ccccc2)c2cccc(N)c2C1
Show InChI InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3
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n/an/a 6.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on synaptosomal uptake inhibition of Noradrenaline (NA)


J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50026953
PNG
((cis) 3-{4-[3-(3,4-Dichloro-phenyl)-indan-1-yl]-pi...)
Show SMILES OCCCN1CCN(CC1)C1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H26Cl2N2O/c23-20-7-6-16(14-21(20)24)19-15-22(18-5-2-1-4-17(18)19)26-11-9-25(10-12-26)8-3-13-27/h1-2,4-7,14,19,22,27H,3,8-13,15H2
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n/an/a 6.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on synaptosomal uptake inhibition of Noradrenaline (NA)


J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus)
BDBM50021224
PNG
((+) (trans) 1-[3-(3,4-Dichloro-phenyl)-indan-1-yl]...)
Show SMILES CN1CCN(CC1)C1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H22Cl2N2/c1-23-8-10-24(11-9-23)20-13-17(15-4-2-3-5-16(15)20)14-6-7-18(21)19(22)12-14/h2-7,12,17,20H,8-11,13H2,1H3
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n/an/a 7.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on synaptosomal uptake inhibition of 5-hydroxytryptamine (5-HT)


J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus)
BDBM50021224
PNG
((+) (trans) 1-[3-(3,4-Dichloro-phenyl)-indan-1-yl]...)
Show SMILES CN1CCN(CC1)C1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H22Cl2N2/c1-23-8-10-24(11-9-23)20-13-17(15-4-2-3-5-16(15)20)14-6-7-18(21)19(22)12-14/h2-7,12,17,20H,8-11,13H2,1H3
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n/an/a 7.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on synaptosomal uptake inhibition of 5-hydroxytryptamine (5-HT)


J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50026962
PNG
(2-{4-[3-(4-Fluoro-phenyl)-6-methyl-indan-1-yl]-pip...)
Show SMILES Cc1ccc2C(CC(N3CCN(CCO)CC3)c2c1)c1ccc(F)cc1
Show InChI InChI=1S/C22H27FN2O/c1-16-2-7-19-20(17-3-5-18(23)6-4-17)15-22(21(19)14-16)25-10-8-24(9-11-25)12-13-26/h2-7,14,20,22,26H,8-13,15H2,1H3
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n/an/a 8.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus)
BDBM50026958
PNG
((cis) 2-{4-[3-(3,4-Dichloro-phenyl)-indan-1-yl]-pi...)
Show SMILES Cl.Cl.OCCN1CCN(CC1)C1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H24Cl2N2O.2ClH/c22-19-6-5-15(13-20(19)23)18-14-21(17-4-2-1-3-16(17)18)25-9-7-24(8-10-25)11-12-26;;/h1-6,13,18,21,26H,7-12,14H2;2*1H
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n/an/a 8.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on synaptosomal uptake inhibition of Dopamine transporter


J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50002012
PNG
((trans) 2-{4-[3-(4-Fluoro-phenyl)-6-trifluoromethy...)
Show SMILES OCCN1CCN(CC1)C1CC(c2ccc(cc12)C(F)(F)F)c1ccc(F)cc1
Show InChI InChI=1S/C22H24F4N2O/c23-17-4-1-15(2-5-17)19-14-21(28-9-7-27(8-10-28)11-12-29)20-13-16(22(24,25)26)3-6-18(19)20/h1-6,13,19,21,29H,7-12,14H2
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n/an/a 8.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50367137
PNG
(CHEMBL1203891)
Show SMILES OCCCCN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C23H28F2N2O/c24-18-5-3-17(4-6-18)21-16-23(22-15-19(25)7-8-20(21)22)27-12-10-26(11-13-27)9-1-2-14-28/h3-8,15,21,23,28H,1-2,9-14,16H2
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n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on synaptosomal uptake inhibition of Dopamine transporter


J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50026952
PNG
((cis) [3-(3,4-Dichloro-phenyl)-bicyclo[2.2.2]oct-2...)
Show SMILES CN(C)C[C@@H]1C2CCC(CC2)[C@@H]1c1ccc(Cl)c(Cl)c1 |wU:11.13,4.3,TLB:12:11:6.7:10.9,THB:3:4:6.7:10.9,(4.42,-5.07,;3.76,-3.67,;2.22,-3.53,;4.65,-2.41,;4,-1.01,;5.68,-.26,;5.79,1.35,;5.19,2.75,;5.16,1.21,;6.61,.69,;7.15,-.75,;3.76,.53,;2.43,1.3,;1.1,.53,;-.23,1.3,;-.23,2.84,;-1.58,3.63,;1.1,3.61,;1.1,5.15,;2.43,2.84,)|
Show InChI InChI=1S/C17H23Cl2N/c1-20(2)10-14-11-3-5-12(6-4-11)17(14)13-7-8-15(18)16(19)9-13/h7-9,11-12,14,17H,3-6,10H2,1-2H3/t11?,12?,14-,17-/m1/s1
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n/an/a 9.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50021224
PNG
((+) (trans) 1-[3-(3,4-Dichloro-phenyl)-indan-1-yl]...)
Show SMILES CN1CCN(CC1)C1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H22Cl2N2/c1-23-8-10-24(11-9-23)20-13-17(15-4-2-3-5-16(15)20)14-6-7-18(21)19(22)12-14/h2-7,12,17,20H,8-11,13H2,1H3
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50026958
PNG
((cis) 2-{4-[3-(3,4-Dichloro-phenyl)-indan-1-yl]-pi...)
Show SMILES Cl.Cl.OCCN1CCN(CC1)C1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H24Cl2N2O.2ClH/c22-19-6-5-15(13-20(19)23)18-14-21(17-4-2-1-3-16(17)18)25-9-7-24(8-10-25)11-12-26;;/h1-6,13,18,21,26H,7-12,14H2;2*1H
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on synaptosomal uptake inhibition of Noradrenaline (NA)


J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50021224
PNG
((+) (trans) 1-[3-(3,4-Dichloro-phenyl)-indan-1-yl]...)
Show SMILES CN1CCN(CC1)C1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H22Cl2N2/c1-23-8-10-24(11-9-23)20-13-17(15-4-2-3-5-16(15)20)14-6-7-18(21)19(22)12-14/h2-7,12,17,20H,8-11,13H2,1H3
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50026948
PNG
((trans) [3-(3,4-Dichloro-phenyl)-bicyclo[2.2.2]oct...)
Show SMILES CN(C)C[C@H]1C2CCC(CC2)[C@H]1c1ccc(Cl)c(Cl)c1 |wD:11.13,4.3,(7.55,1.59,;6.22,.82,;4.89,1.59,;6.22,-.68,;4.89,-1.49,;3.54,-.72,;2.22,-1.49,;2.22,-3.03,;3.54,-3.8,;4.09,-2.55,;2.77,-2.03,;4.89,-3.03,;6.2,-3.8,;6.2,-5.34,;7.55,-6.11,;8.89,-5.34,;10.21,-6.11,;8.87,-3.8,;10.2,-2.99,;7.54,-3.03,)|
Show InChI InChI=1S/C17H23Cl2N/c1-20(2)10-14-11-3-5-12(6-4-11)17(14)13-7-8-15(18)16(19)9-13/h7-9,11-12,14,17H,3-6,10H2,1-2H3/t11?,12?,14-,17-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
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 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50026958
PNG
((cis) 2-{4-[3-(3,4-Dichloro-phenyl)-indan-1-yl]-pi...)
Show SMILES Cl.Cl.OCCN1CCN(CC1)C1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H24Cl2N2O.2ClH/c22-19-6-5-15(13-20(19)23)18-14-21(17-4-2-1-3-16(17)18)25-9-7-24(8-10-25)11-12-26;;/h1-6,13,18,21,26H,7-12,14H2;2*1H
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50026960
PNG
((trans) 2-{4-[6-Chloro-3-(4-fluoro-phenyl)-indan-1...)
Show SMILES OCCN1CCN(CC1)C1CC(c2ccc(Cl)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C21H24ClFN2O/c22-16-3-6-18-19(15-1-4-17(23)5-2-15)14-21(20(18)13-16)25-9-7-24(8-10-25)11-12-26/h1-6,13,19,21,26H,7-12,14H2
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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50026948
PNG
((trans) [3-(3,4-Dichloro-phenyl)-bicyclo[2.2.2]oct...)
Show SMILES CN(C)C[C@H]1C2CCC(CC2)[C@H]1c1ccc(Cl)c(Cl)c1 |wD:11.13,4.3,(7.55,1.59,;6.22,.82,;4.89,1.59,;6.22,-.68,;4.89,-1.49,;3.54,-.72,;2.22,-1.49,;2.22,-3.03,;3.54,-3.8,;4.09,-2.55,;2.77,-2.03,;4.89,-3.03,;6.2,-3.8,;6.2,-5.34,;7.55,-6.11,;8.89,-5.34,;10.21,-6.11,;8.87,-3.8,;10.2,-2.99,;7.54,-3.03,)|
Show InChI InChI=1S/C17H23Cl2N/c1-20(2)10-14-11-3-5-12(6-4-11)17(14)13-7-8-15(18)16(19)9-13/h7-9,11-12,14,17H,3-6,10H2,1-2H3/t11?,12?,14-,17-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on synaptosomal uptake inhibition of 5-hydroxytryptamine (5-HT)


J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50026953
PNG
((cis) 3-{4-[3-(3,4-Dichloro-phenyl)-indan-1-yl]-pi...)
Show SMILES OCCCN1CCN(CC1)C1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H26Cl2N2O/c23-20-7-6-16(14-21(20)24)19-15-22(18-5-2-1-4-17(18)19)26-11-9-25(10-12-26)8-3-13-27/h1-2,4-7,14,19,22,27H,3,8-13,15H2
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50367137
PNG
(CHEMBL1203891)
Show SMILES OCCCCN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C23H28F2N2O/c24-18-5-3-17(4-6-18)21-16-23(22-15-19(25)7-8-20(21)22)27-12-10-26(11-13-27)9-1-2-14-28/h3-8,15,21,23,28H,1-2,9-14,16H2
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n/an/a 19n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50224972
PNG
(CHEMBL433602)
Show SMILES OCCCN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
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n/an/a 21n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on synaptosomal uptake inhibition of Dopamine transporter


J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50020240
PNG
(1-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-4-meth...)
Show SMILES CN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C20H22F2N2/c1-23-8-10-24(11-9-23)20-13-18(14-2-4-15(21)5-3-14)17-7-6-16(22)12-19(17)20/h2-7,12,18,20H,8-11,13H2,1H3
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n/an/a 22n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50367137
PNG
(CHEMBL1203891)
Show SMILES OCCCCN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C23H28F2N2O/c24-18-5-3-17(4-6-18)21-16-23(22-15-19(25)7-8-20(21)22)27-12-10-26(11-13-27)9-1-2-14-28/h3-8,15,21,23,28H,1-2,9-14,16H2
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n/an/a 25n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50367137
PNG
(CHEMBL1203891)
Show SMILES OCCCCN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C23H28F2N2O/c24-18-5-3-17(4-6-18)21-16-23(22-15-19(25)7-8-20(21)22)27-12-10-26(11-13-27)9-1-2-14-28/h3-8,15,21,23,28H,1-2,9-14,16H2
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50020240
PNG
(1-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-4-meth...)
Show SMILES CN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C20H22F2N2/c1-23-8-10-24(11-9-23)20-13-18(14-2-4-15(21)5-3-14)17-7-6-16(22)12-19(17)20/h2-7,12,18,20H,8-11,13H2,1H3
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n/an/a 32n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus)
BDBM50021224
PNG
((+) (trans) 1-[3-(3,4-Dichloro-phenyl)-indan-1-yl]...)
Show SMILES CN1CCN(CC1)C1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H22Cl2N2/c1-23-8-10-24(11-9-23)20-13-17(15-4-2-3-5-16(15)20)14-6-7-18(21)19(22)12-14/h2-7,12,17,20H,8-11,13H2,1H3
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n/an/a 32n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50224976
PNG
(CHEMBL2096687)
Show SMILES Cl.Cl.Clc1ccc(cc1Cl)C1CC(N2CCN(C\C=C\c3ccccc3)CC2)c2ccccc12
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n/an/a 35n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50026951
PNG
((cis) 2-{4-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-y...)
Show SMILES OCCN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C21H24F2N2O/c22-16-3-1-15(2-4-16)19-14-21(20-13-17(23)5-6-18(19)20)25-9-7-24(8-10-25)11-12-26/h1-6,13,19,21,26H,7-12,14H2
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n/an/a 43n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on synaptosomal uptake inhibition of Noradrenaline (NA)


J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50026951
PNG
((cis) 2-{4-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-y...)
Show SMILES OCCN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C21H24F2N2O/c22-16-3-1-15(2-4-16)19-14-21(20-13-17(23)5-6-18(19)20)25-9-7-24(8-10-25)11-12-26/h1-6,13,19,21,26H,7-12,14H2
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n/an/a 44n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on synaptosomal uptake inhibition of Dopamine transporter


J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50020240
PNG
(1-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-4-meth...)
Show SMILES CN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C20H22F2N2/c1-23-8-10-24(11-9-23)20-13-18(14-2-4-15(21)5-3-14)17-7-6-16(22)12-19(17)20/h2-7,12,18,20H,8-11,13H2,1H3
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n/an/a 45n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50367137
PNG
(CHEMBL1203891)
Show SMILES OCCCCN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C23H28F2N2O/c24-18-5-3-17(4-6-18)21-16-23(22-15-19(25)7-8-20(21)22)27-12-10-26(11-13-27)9-1-2-14-28/h3-8,15,21,23,28H,1-2,9-14,16H2
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n/an/a 48n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50005548
PNG
((+)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinol...)
Show SMILES CN1CC(c2ccccc2)c2cccc(N)c2C1
Show InChI InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3
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n/an/a 48n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on synaptosomal uptake inhibition of Dopamine transporter


J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50026952
PNG
((cis) [3-(3,4-Dichloro-phenyl)-bicyclo[2.2.2]oct-2...)
Show SMILES CN(C)C[C@@H]1C2CCC(CC2)[C@@H]1c1ccc(Cl)c(Cl)c1 |wU:11.13,4.3,TLB:12:11:6.7:10.9,THB:3:4:6.7:10.9,(4.42,-5.07,;3.76,-3.67,;2.22,-3.53,;4.65,-2.41,;4,-1.01,;5.68,-.26,;5.79,1.35,;5.19,2.75,;5.16,1.21,;6.61,.69,;7.15,-.75,;3.76,.53,;2.43,1.3,;1.1,.53,;-.23,1.3,;-.23,2.84,;-1.58,3.63,;1.1,3.61,;1.1,5.15,;2.43,2.84,)|
Show InChI InChI=1S/C17H23Cl2N/c1-20(2)10-14-11-3-5-12(6-4-11)17(14)13-7-8-15(18)16(19)9-13/h7-9,11-12,14,17H,3-6,10H2,1-2H3/t11?,12?,14-,17-/m1/s1
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n/an/a 51n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on synaptosomal uptake inhibition of 5-hydroxytryptamine (5-HT)


J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50020240
PNG
(1-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-4-meth...)
Show SMILES CN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C20H22F2N2/c1-23-8-10-24(11-9-23)20-13-18(14-2-4-15(21)5-3-14)17-7-6-16(22)12-19(17)20/h2-7,12,18,20H,8-11,13H2,1H3
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n/an/a 57n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50224973
PNG
(CHEMBL1203868)
Show SMILES Cl.Cl.OCC(CO)N1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
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n/an/a 64n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50020240
PNG
(1-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-4-meth...)
Show SMILES CN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C20H22F2N2/c1-23-8-10-24(11-9-23)20-13-18(14-2-4-15(21)5-3-14)17-7-6-16(22)12-19(17)20/h2-7,12,18,20H,8-11,13H2,1H3
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n/an/a 88n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50002012
PNG
((trans) 2-{4-[3-(4-Fluoro-phenyl)-6-trifluoromethy...)
Show SMILES OCCN1CCN(CC1)C1CC(c2ccc(cc12)C(F)(F)F)c1ccc(F)cc1
Show InChI InChI=1S/C22H24F4N2O/c23-17-4-1-15(2-5-17)19-14-21(28-9-7-27(8-10-28)11-12-29)20-13-16(22(24,25)26)3-6-18(19)20/h1-6,13,19,21,29H,7-12,14H2
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n/an/a 93n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on synaptosomal uptake inhibition of Dopamine transporter


J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50020240
PNG
(1-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-4-meth...)
Show SMILES CN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C20H22F2N2/c1-23-8-10-24(11-9-23)20-13-18(14-2-4-15(21)5-3-14)17-7-6-16(22)12-19(17)20/h2-7,12,18,20H,8-11,13H2,1H3
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n/an/a 97n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50224976
PNG
(CHEMBL2096687)
Show SMILES Cl.Cl.Clc1ccc(cc1Cl)C1CC(N2CCN(C\C=C\c3ccccc3)CC2)c2ccccc12
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50020240
PNG
(1-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-4-meth...)
Show SMILES CN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C20H22F2N2/c1-23-8-10-24(11-9-23)20-13-18(14-2-4-15(21)5-3-14)17-7-6-16(22)12-19(17)20/h2-7,12,18,20H,8-11,13H2,1H3
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n/an/a 110n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on synaptosomal uptake inhibition of Dopamine transporter


J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50026953
PNG
((cis) 3-{4-[3-(3,4-Dichloro-phenyl)-indan-1-yl]-pi...)
Show SMILES OCCCN1CCN(CC1)C1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H26Cl2N2O/c23-20-7-6-16(14-21(20)24)19-15-22(18-5-2-1-4-17(18)19)26-11-9-25(10-12-26)8-3-13-27/h1-2,4-7,14,19,22,27H,3,8-13,15H2
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n/an/a 120n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on synaptosomal uptake inhibition of 5-hydroxytryptamine (5-HT)


J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus)
BDBM50021224
PNG
((+) (trans) 1-[3-(3,4-Dichloro-phenyl)-indan-1-yl]...)
Show SMILES CN1CCN(CC1)C1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H22Cl2N2/c1-23-8-10-24(11-9-23)20-13-17(15-4-2-3-5-16(15)20)14-6-7-18(21)19(22)12-14/h2-7,12,17,20H,8-11,13H2,1H3
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n/an/a 120n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
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