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PubMed code 19643610

Compile data set for download or QSAR
Found 24 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


(Homo sapiens (Human))		BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1
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 1n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human D1 receptor expressed in Ltk cell

Bioorg Med Chem Lett 19: 5218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.012
BindingDB Entry DOI: 10.7270/Q2JW8F0Z
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50280442
PNG
(8-Chloro-3-methyl-2,3,4,5-tetrahydro-1H-benzo[d]az...)
Show SMILES CN1CCc2cc(O)c(Cl)cc2CC1
Show InChI InChI=1S/C11H14ClNO/c1-13-4-2-8-6-10(12)11(14)7-9(8)3-5-13/h6-7,14H,2-5H2,1H3
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 50n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human D1 receptor expressed in Ltk cell

Bioorg Med Chem Lett 19: 5218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.012
BindingDB Entry DOI: 10.7270/Q2JW8F0Z
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50301259
PNG
(7-chloro-2-methyl-1-(thiophen-3-yl)-4,5-dihydro-1H...)
Show SMILES CC1=NCCc2cc(Cl)c(O)cc2N1c1ccsc1 |t:1|
Show InChI InChI=1S/C14H13ClN2OS/c1-9-16-4-2-10-6-12(15)14(18)7-13(10)17(9)11-3-5-19-8-11/h3,5-8,18H,2,4H2,1H3
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 87n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human D1 receptor expressed in Ltk cell

Bioorg Med Chem Lett 19: 5218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.012
BindingDB Entry DOI: 10.7270/Q2JW8F0Z
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50301272
PNG
(7-chloro-2-(cyclohexylamino)-4,5-dihydro-1H-benzo[...)
Show SMILES Oc1cc2N=C(NC3CCCCC3)NCCc2cc1Cl |t:4|
Show InChI InChI=1S/C15H20ClN3O/c16-12-8-10-6-7-17-15(19-13(10)9-14(12)20)18-11-4-2-1-3-5-11/h8-9,11,20H,1-7H2,(H2,17,18,19)
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 129n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human D1 receptor expressed in Ltk cell

Bioorg Med Chem Lett 19: 5218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.012
BindingDB Entry DOI: 10.7270/Q2JW8F0Z
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50301262
PNG
(7-chloro-2-(4-(dimethylamino)styryl)-1-phenyl-4,5-...)
Show SMILES CN(C)c1ccc(\C=C\C2=NCCc3cc(Cl)c(O)cc3N2c2ccccc2)cc1 |t:9|
Show InChI InChI=1S/C25H24ClN3O/c1-28(2)20-11-8-18(9-12-20)10-13-25-27-15-14-19-16-22(26)24(30)17-23(19)29(25)21-6-4-3-5-7-21/h3-13,16-17,30H,14-15H2,1-2H3/b13-10+
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 154n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human D1 receptor expressed in Ltk cell

Bioorg Med Chem Lett 19: 5218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.012
BindingDB Entry DOI: 10.7270/Q2JW8F0Z
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50301260
PNG
(7-chloro-2-methyl-1-p-tolyl-4,5-dihydro-1H-benzo[d...)
Show SMILES Cc1ccc(cc1)N1c2cc(O)c(Cl)cc2CCN=C1C |c:20|
Show InChI InChI=1S/C17H17ClN2O/c1-11-3-5-14(6-4-11)20-12(2)19-8-7-13-9-15(18)17(21)10-16(13)20/h3-6,9-10,21H,7-8H2,1-2H3
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 181n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human D1 receptor expressed in Ltk cell

Bioorg Med Chem Lett 19: 5218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.012
BindingDB Entry DOI: 10.7270/Q2JW8F0Z
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50301264
PNG
(7-chloro-2-(6-methoxynaphthalen-2-yl)-4,5-dihydro-...)
Show SMILES COc1ccc2cc(ccc2c1)C1=Nc2cc(O)c(Cl)cc2CCN1 |t:14|
Show InChI InChI=1S/C20H17ClN2O2/c1-25-16-5-4-12-8-15(3-2-13(12)9-16)20-22-7-6-14-10-17(21)19(24)11-18(14)23-20/h2-5,8-11,24H,6-7H2,1H3,(H,22,23)
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 198n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human D1 receptor expressed in Ltk cell

Bioorg Med Chem Lett 19: 5218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.012
BindingDB Entry DOI: 10.7270/Q2JW8F0Z
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50301257
PNG
(7-chloro-2-methyl-1-phenyl-4,5-dihydro-1H-benzo[d]...)
Show SMILES CC1=NCCc2cc(Cl)c(O)cc2N1c1ccccc1 |t:1|
Show InChI InChI=1S/C16H15ClN2O/c1-11-18-8-7-12-9-14(17)16(20)10-15(12)19(11)13-5-3-2-4-6-13/h2-6,9-10,20H,7-8H2,1H3
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 200n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human D1 receptor expressed in Ltk cell

Bioorg Med Chem Lett 19: 5218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.012
BindingDB Entry DOI: 10.7270/Q2JW8F0Z
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50301268
PNG
(7-chloro-2-(4-methoxystyryl)-4,5-dihydro-1H-benzo[...)
Show SMILES COc1ccc(C=CC2=Nc3cc(O)c(Cl)cc3CCN2)cc1 |w:7.7,t:8|
Show InChI InChI=1S/C18H17ClN2O2/c1-23-14-5-2-12(3-6-14)4-7-18-20-9-8-13-10-15(19)17(22)11-16(13)21-18/h2-7,10-11,22H,8-9H2,1H3,(H,20,21)
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 206n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human D1 receptor expressed in Ltk cell

Bioorg Med Chem Lett 19: 5218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.012
BindingDB Entry DOI: 10.7270/Q2JW8F0Z
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50301267
PNG
(7-chloro-2-cyclohexyl-4,5-dihydro-1H-benzo[d][1,3]...)
Show SMILES Oc1cc2N=C(NCCc2cc1Cl)C1CCCCC1 |c:4|
Show InChI InChI=1S/C15H19ClN2O/c16-12-8-11-6-7-17-15(10-4-2-1-3-5-10)18-13(11)9-14(12)19/h8-10,19H,1-7H2,(H,17,18)
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 284n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human D1 receptor expressed in Ltk cell

Bioorg Med Chem Lett 19: 5218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.012
BindingDB Entry DOI: 10.7270/Q2JW8F0Z
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50301269
PNG
(7-chloro-2-(2-(4-methoxyphenyl)cyclopropyl)-4,5-di...)
Show SMILES COc1ccc(cc1)C1CC1C1=Nc2cc(O)c(Cl)cc2CCN1 |t:13|
Show InChI InChI=1S/C19H19ClN2O2/c1-24-13-4-2-11(3-5-13)14-9-15(14)19-21-7-6-12-8-16(20)18(23)10-17(12)22-19/h2-5,8,10,14-15,23H,6-7,9H2,1H3,(H,21,22)
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 311n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human D1 receptor expressed in Ltk cell

Bioorg Med Chem Lett 19: 5218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.012
BindingDB Entry DOI: 10.7270/Q2JW8F0Z
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50301261
PNG
(7-chloro-2-methyl-1-o-tolyl-4,5-dihydro-1H-benzo[d...)
Show SMILES Cc1ccccc1N1c2cc(O)c(Cl)cc2CCN=C1C |c:20|
Show InChI InChI=1S/C17H17ClN2O/c1-11-5-3-4-6-15(11)20-12(2)19-8-7-13-9-14(18)17(21)10-16(13)20/h3-6,9-10,21H,7-8H2,1-2H3
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 321n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human D1 receptor expressed in Ltk cell

Bioorg Med Chem Lett 19: 5218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.012
BindingDB Entry DOI: 10.7270/Q2JW8F0Z
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50301263
PNG
(7-chloro-1-cyclohexyl-2-(4-(dimethylamino)styryl)-...)
Show SMILES CN(C)c1ccc(\C=C\C2=NCCc3cc(Cl)c(O)cc3N2C2CCCCC2)cc1 |t:9|
Show InChI InChI=1S/C25H30ClN3O/c1-28(2)20-11-8-18(9-12-20)10-13-25-27-15-14-19-16-22(26)24(30)17-23(19)29(25)21-6-4-3-5-7-21/h8-13,16-17,21,30H,3-7,14-15H2,1-2H3/b13-10+
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 370n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human D1 receptor expressed in Ltk cell

Bioorg Med Chem Lett 19: 5218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.012
BindingDB Entry DOI: 10.7270/Q2JW8F0Z
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50301273
PNG
(7-chloro-2-(cyclopentylamino)-4,5-dihydro-1H-benzo...)
Show SMILES Oc1cc2N=C(NC3CCCC3)NCCc2cc1Cl |t:4|
Show InChI InChI=1S/C14H18ClN3O/c15-11-7-9-5-6-16-14(17-10-3-1-2-4-10)18-12(9)8-13(11)19/h7-8,10,19H,1-6H2,(H2,16,17,18)
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 391n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human D1 receptor expressed in Ltk cell

Bioorg Med Chem Lett 19: 5218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.012
BindingDB Entry DOI: 10.7270/Q2JW8F0Z
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50301265
PNG
(7-chloro-2-isobutyl-4,5-dihydro-1H-benzo[d][1,3]di...)
Show SMILES CC(C)CC1=Nc2cc(O)c(Cl)cc2CCN1 |t:4|
Show InChI InChI=1S/C13H17ClN2O/c1-8(2)5-13-15-4-3-9-6-10(14)12(17)7-11(9)16-13/h6-8,17H,3-5H2,1-2H3,(H,15,16)
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 442n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human D1 receptor expressed in Ltk cell

Bioorg Med Chem Lett 19: 5218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.012
BindingDB Entry DOI: 10.7270/Q2JW8F0Z
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50301275
PNG
(2-(benzylthio)-7-chloro-4,5-dihydro-1H-benzo[d][1,...)
Show SMILES Oc1cc2N=C(NCCc2cc1Cl)SCc1ccccc1 |c:4|
Show InChI InChI=1S/C16H15ClN2OS/c17-13-8-12-6-7-18-16(19-14(12)9-15(13)20)21-10-11-4-2-1-3-5-11/h1-5,8-9,20H,6-7,10H2,(H,18,19)
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 445n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human D1 receptor expressed in Ltk cell

Bioorg Med Chem Lett 19: 5218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.012
BindingDB Entry DOI: 10.7270/Q2JW8F0Z
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50301274
PNG
(7-chloro-2-(phenethylamino)-4,5-dihydro-1H-benzo[d...)
Show SMILES Oc1cc2N=C(NCCc3ccccc3)NCCc2cc1Cl |t:4|
Show InChI InChI=1S/C17H18ClN3O/c18-14-10-13-7-9-20-17(21-15(13)11-16(14)22)19-8-6-12-4-2-1-3-5-12/h1-5,10-11,22H,6-9H2,(H2,19,20,21)
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 465n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human D1 receptor expressed in Ltk cell

Bioorg Med Chem Lett 19: 5218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.012
BindingDB Entry DOI: 10.7270/Q2JW8F0Z
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50301266
PNG
(7-chloro-2-phenyl-4,5-dihydro-1H-benzo[d][1,3]diaz...)
Show SMILES Oc1cc2N=C(NCCc2cc1Cl)c1ccccc1 |c:4|
Show InChI InChI=1S/C15H13ClN2O/c16-12-8-11-6-7-17-15(10-4-2-1-3-5-10)18-13(11)9-14(12)19/h1-5,8-9,19H,6-7H2,(H,17,18)
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 475n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human D1 receptor expressed in Ltk cell

Bioorg Med Chem Lett 19: 5218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.012
BindingDB Entry DOI: 10.7270/Q2JW8F0Z
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50301276
PNG
(7-chloro-2-(cyclopropylamino)-4,5-dihydro-1H-benzo...)
Show SMILES Oc1cc2N=C(NC3CC3)NCCc2cc1Cl |t:4|
Show InChI InChI=1S/C12H14ClN3O/c13-9-5-7-3-4-14-12(15-8-1-2-8)16-10(7)6-11(9)17/h5-6,8,17H,1-4H2,(H2,14,15,16)
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 575n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human D1 receptor expressed in Ltk cell

Bioorg Med Chem Lett 19: 5218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.012
BindingDB Entry DOI: 10.7270/Q2JW8F0Z
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50301277
PNG
(7-chloro-2-(methylamino)-4,5-dihydro-1H-benzo[d][1...)
Show SMILES CNC1=Nc2cc(O)c(Cl)cc2CCN1 |t:2|
Show InChI InChI=1S/C10H12ClN3O/c1-12-10-13-3-2-6-4-7(11)9(15)5-8(6)14-10/h4-5,15H,2-3H2,1H3,(H2,12,13,14)
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 783n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human D1 receptor expressed in Ltk cell

Bioorg Med Chem Lett 19: 5218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.012
BindingDB Entry DOI: 10.7270/Q2JW8F0Z
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50301278
PNG
(7-chloro-2-(methylthio)-4,5-dihydro-1H-benzo[d][1,...)
Show SMILES CSC1=Nc2cc(O)c(Cl)cc2CCN1 |t:2|
Show InChI InChI=1S/C10H11ClN2OS/c1-15-10-12-3-2-6-4-7(11)9(14)5-8(6)13-10/h4-5,14H,2-3H2,1H3,(H,12,13)
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 900n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human D1 receptor expressed in Ltk cell

Bioorg Med Chem Lett 19: 5218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.012
BindingDB Entry DOI: 10.7270/Q2JW8F0Z
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50301258
PNG
(1-benzyl-7-chloro-2-methyl-4,5-dihydro-1H-benzo[d]...)
Show SMILES CC1=NCCc2cc(Cl)c(O)cc2N1Cc1ccccc1 |t:1|
Show InChI InChI=1S/C17H17ClN2O/c1-12-19-8-7-14-9-15(18)17(21)10-16(14)20(12)11-13-5-3-2-4-6-13/h2-6,9-10,21H,7-8,11H2,1H3
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 930n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human D1 receptor expressed in Ltk cell

Bioorg Med Chem Lett 19: 5218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.012
BindingDB Entry DOI: 10.7270/Q2JW8F0Z
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50301270
PNG
(7-chloro-2-cyclopropyl-4,5-dihydro-1H-benzo[d][1,3...)
Show SMILES Oc1cc2N=C(NCCc2cc1Cl)C1CC1 |c:4|
Show InChI InChI=1S/C12H13ClN2O/c13-9-5-8-3-4-14-12(7-1-2-7)15-10(8)6-11(9)16/h5-7,16H,1-4H2,(H,14,15)
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 1.50E+3n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human D1 receptor expressed in Ltk cell

Bioorg Med Chem Lett 19: 5218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.012
BindingDB Entry DOI: 10.7270/Q2JW8F0Z
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50301271
PNG
(2-amino-7-chloro-4,5-dihydro-1H-benzo[d][1,3]diaze...)
Show SMILES NC1=Nc2cc(O)c(Cl)cc2CCN1 |t:1|
Show InChI InChI=1S/C9H10ClN3O/c10-6-3-5-1-2-12-9(11)13-7(5)4-8(6)14/h3-4,14H,1-2H2,(H3,11,12,13)
PDB

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 1.02E+4n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human D1 receptor expressed in Ltk cell

Bioorg Med Chem Lett 19: 5218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.012
BindingDB Entry DOI: 10.7270/Q2JW8F0Z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%