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Compile Data Set for Download or QSAR

Found 68 hits with Last Name = 'hoffman' and Initial = 'aj'   
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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0.427n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of rat liver dihydrofolate reductase.


J Med Chem 32: 2050-8 (1989)


BindingDB Entry DOI: 10.7270/Q2RV0QXV
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
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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0.430n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]SCH-23,390 binding to Dopamine receptor D1 at 0.25 nM


J Med Chem 31: 1941-6 (1988)


BindingDB Entry DOI: 10.7270/Q20002PD
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50004796
PNG
(8-Chloro-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...)
Show SMILES Oc1cc2C(CNCCc2cc1Cl)c1ccccc1
Show InChI InChI=1S/C16H16ClNO/c17-15-8-12-6-7-18-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,18-19H,6-7,10H2
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2.40n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]SCH-23,390 binding to Dopamine receptor D1 at 0.25 nM


J Med Chem 31: 1941-6 (1988)


BindingDB Entry DOI: 10.7270/Q20002PD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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3.5n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from 5-HT1B receptor of rat frontal cortex homogenate


J Med Chem 31: 1406-12 (1988)


BindingDB Entry DOI: 10.7270/Q2JD500M
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(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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5n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to Dopamine receptor D2 at 0.02 nM


J Med Chem 31: 1941-6 (1988)


BindingDB Entry DOI: 10.7270/Q20002PD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))
BDBM82087
PNG
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)
Show SMILES COc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
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6.5n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from 5-HT1B receptor of rat frontal cortex homogenate


J Med Chem 31: 1406-12 (1988)


BindingDB Entry DOI: 10.7270/Q2JD500M
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50038349
PNG
((S)-6-Chloro-2-methyl-1-phenyl-1,2,3,4-tetrahydro-...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]1c1ccccc1
Show InChI InChI=1S/C16H16ClNO/c1-18-8-7-12-9-14(17)15(19)10-13(12)16(18)11-5-3-2-4-6-11/h2-6,9-10,16,19H,7-8H2,1H3/t16-/m0/s1
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6.60n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of rat liver dihydrofolate reductase.


J Med Chem 32: 2050-8 (1989)


BindingDB Entry DOI: 10.7270/Q2RV0QXV
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50038349
PNG
((S)-6-Chloro-2-methyl-1-phenyl-1,2,3,4-tetrahydro-...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]1c1ccccc1
Show InChI InChI=1S/C16H16ClNO/c1-18-8-7-12-9-14(17)15(19)10-13(12)16(18)11-5-3-2-4-6-11/h2-6,9-10,16,19H,7-8H2,1H3/t16-/m0/s1
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6.60n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]SCH-23,390 binding to Dopamine receptor D1 at 0.25 nM


J Med Chem 31: 1941-6 (1988)


BindingDB Entry DOI: 10.7270/Q20002PD
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50022051
PNG
(1-Phenyl-6-chloro-7-hydroxy-N-methyl-1,2,3,4-tetra...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C1c1ccccc1
Show InChI InChI=1S/C16H16ClNO/c1-18-8-7-12-9-14(17)15(19)10-13(12)16(18)11-5-3-2-4-6-11/h2-6,9-10,16,19H,7-8H2,1H3
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13n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]SCH-23,390 binding to Dopamine receptor D1 at 0.25 nM


J Med Chem 31: 1941-6 (1988)


BindingDB Entry DOI: 10.7270/Q20002PD
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50228322
PNG
(CHEMBL64117)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]1Cc1ccccc1
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-10-15(18)17(20)11-14(13)16(19)9-12-5-3-2-4-6-12/h2-6,10-11,16,20H,7-9H2,1H3/t16-/m0/s1
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27n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of Escherichia coli dihydrofolate reductase.


J Med Chem 32: 2050-8 (1989)


BindingDB Entry DOI: 10.7270/Q2RV0QXV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))
BDBM50227463
PNG
(CHEBI:48297 | CHEMBL1416204)
Show SMILES C[C@H](N)Cc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C11H14N2O/c1-7(12)4-8-6-13-11-3-2-9(14)5-10(8)11/h2-3,5-7,13-14H,4,12H2,1H3/t7-/m0/s1
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46n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from 5-HT1B receptor of rat frontal cortex homogenate


J Med Chem 31: 1406-12 (1988)


BindingDB Entry DOI: 10.7270/Q2JD500M
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(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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50n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]SCH-23,390 binding to Dopamine receptor D1 at 0.25 nM


J Med Chem 31: 1941-6 (1988)


BindingDB Entry DOI: 10.7270/Q20002PD
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50022052
PNG
(1-Benzyl-6-chloro-2-methyl-1,2,3,4-tetrahydro-isoq...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C1Cc1ccccc1
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-10-15(18)17(20)11-14(13)16(19)9-12-5-3-2-4-6-12/h2-6,10-11,16,20H,7-9H2,1H3
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53n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]SCH-23,390 binding to Dopamine receptor D1 at 0.25 nM


J Med Chem 31: 1941-6 (1988)


BindingDB Entry DOI: 10.7270/Q20002PD
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50228321
PNG
(CHEMBL302393)
Show SMILES CN1C[C@@H](c2ccccc2)c2cc(O)c(Cl)cc2C1
Show InChI InChI=1S/C16H16ClNO/c1-18-9-12-7-15(17)16(19)8-13(12)14(10-18)11-5-3-2-4-6-11/h2-8,14,19H,9-10H2,1H3/t14-/m0/s1
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87n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of rat liver dihydrofolate reductase.


J Med Chem 32: 2050-8 (1989)


BindingDB Entry DOI: 10.7270/Q2RV0QXV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))
BDBM50227465
PNG
(CHEBI:48298 | CHEMBL1788239)
Show SMILES C[C@@H](N)Cc1c[nH]c2ccc(O)cc12 |r|
Show InChI InChI=1S/C11H14N2O/c1-7(12)4-8-6-13-11-3-2-9(14)5-10(8)11/h2-3,5-7,13-14H,4,12H2,1H3/t7-/m1/s1
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120n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from 5-HT1B receptor of rat frontal cortex homogenate


J Med Chem 31: 1406-12 (1988)


BindingDB Entry DOI: 10.7270/Q2JD500M
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50367602
PNG
(CHEMBL65397)
Show SMILES Oc1cc2[C@@H](NCCc2cc1Cl)c1ccccc1
Show InChI InChI=1S/C15H14ClNO/c16-13-8-11-6-7-17-15(12(11)9-14(13)18)10-4-2-1-3-5-10/h1-5,8-9,15,17-18H,6-7H2/t15-/m0/s1
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140n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]SCH-23,390 binding to Dopamine receptor D1 at 0.25 nM


J Med Chem 31: 1941-6 (1988)


BindingDB Entry DOI: 10.7270/Q20002PD
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50367602
PNG
(CHEMBL65397)
Show SMILES Oc1cc2[C@@H](NCCc2cc1Cl)c1ccccc1
Show InChI InChI=1S/C15H14ClNO/c16-13-8-11-6-7-17-15(12(11)9-14(13)18)10-4-2-1-3-5-10/h1-5,8-9,15,17-18H,6-7H2/t15-/m0/s1
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141n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of rat liver dihydrofolate reductase.


J Med Chem 32: 2050-8 (1989)


BindingDB Entry DOI: 10.7270/Q2RV0QXV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50228322
PNG
(CHEMBL64117)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]1Cc1ccccc1
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-10-15(18)17(20)11-14(13)16(19)9-12-5-3-2-4-6-12/h2-6,10-11,16,20H,7-9H2,1H3/t16-/m0/s1
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145n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of Escherichia coli dihydrofolate reductase.


J Med Chem 32: 2050-8 (1989)


BindingDB Entry DOI: 10.7270/Q2RV0QXV
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50022053
PNG
(1-Benzyl-6-chloro-2-methyl-1,2,3,4-tetrahydro-isoq...)
Show SMILES CN1CC(c2ccccc2)c2cc(O)c(Cl)cc2C1
Show InChI InChI=1S/C16H16ClNO/c1-18-9-12-7-15(17)16(19)8-13(12)14(10-18)11-5-3-2-4-6-11/h2-8,14,19H,9-10H2,1H3
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174n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]SCH-23,390 binding to Dopamine receptor D1 at 0.25 nM


J Med Chem 31: 1941-6 (1988)


BindingDB Entry DOI: 10.7270/Q20002PD
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50367601
PNG
(CHEMBL293828)
Show SMILES CCCN1CCc2cc(Cl)c(O)cc2[C@@H]1c1ccccc1
Show InChI InChI=1S/C18H20ClNO/c1-2-9-20-10-8-14-11-16(19)17(21)12-15(14)18(20)13-6-4-3-5-7-13/h3-7,11-12,18,21H,2,8-10H2,1H3/t18-/m0/s1
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178n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Antibacterial activity against Escherichia coli


J Med Chem 32: 2050-8 (1989)


BindingDB Entry DOI: 10.7270/Q2RV0QXV
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50367601
PNG
(CHEMBL293828)
Show SMILES CCCN1CCc2cc(Cl)c(O)cc2[C@@H]1c1ccccc1
Show InChI InChI=1S/C18H20ClNO/c1-2-9-20-10-8-14-11-16(19)17(21)12-15(14)18(20)13-6-4-3-5-7-13/h3-7,11-12,18,21H,2,8-10H2,1H3/t18-/m0/s1
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179n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]SCH-23,390 binding to Dopamine receptor D1 at 0.25 nM


J Med Chem 31: 1941-6 (1988)


BindingDB Entry DOI: 10.7270/Q20002PD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50228321
PNG
(CHEMBL302393)
Show SMILES CN1C[C@@H](c2ccccc2)c2cc(O)c(Cl)cc2C1
Show InChI InChI=1S/C16H16ClNO/c1-18-9-12-7-15(17)16(19)8-13(12)14(10-18)11-5-3-2-4-6-11/h2-8,14,19H,9-10H2,1H3/t14-/m0/s1
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263n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of rat liver dihydrofolate reductase.


J Med Chem 32: 2050-8 (1989)


BindingDB Entry DOI: 10.7270/Q2RV0QXV
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50228323
PNG
(CHEMBL59603)
Show SMILES Oc1cc2[C@@H](CNCc2cc1Cl)c1ccccc1
Show InChI InChI=1S/C15H14ClNO/c16-14-6-11-8-17-9-13(12(11)7-15(14)18)10-4-2-1-3-5-10/h1-7,13,17-18H,8-9H2/t13-/m0/s1
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282n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of Escherichia coli dihydrofolate reductase.


J Med Chem 32: 2050-8 (1989)


BindingDB Entry DOI: 10.7270/Q2RV0QXV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50022052
PNG
(1-Benzyl-6-chloro-2-methyl-1,2,3,4-tetrahydro-isoq...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C1Cc1ccccc1
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-10-15(18)17(20)11-14(13)16(19)9-12-5-3-2-4-6-12/h2-6,10-11,16,20H,7-9H2,1H3
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287n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to Dopamine receptor D2 at 0.02 nM


J Med Chem 31: 1941-6 (1988)


BindingDB Entry DOI: 10.7270/Q20002PD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))
BDBM50227461
PNG
(CHEMBL1788281)
Show SMILES COc1ccc2[nH]cc(C[C@@H](C)N)c2c1 |r|
Show InChI InChI=1S/C12H16N2O/c1-8(13)5-9-7-14-12-4-3-10(15-2)6-11(9)12/h3-4,6-8,14H,5,13H2,1-2H3/t8-/m1/s1
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380n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from 5-HT1B receptor of rat frontal cortex homogenate


J Med Chem 31: 1406-12 (1988)


BindingDB Entry DOI: 10.7270/Q2JD500M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))
BDBM50227458
PNG
(CHEMBL2093088)
Show SMILES COc1ccc2[nH]cc(C[C@H](C)N)c2c1 |r|
Show InChI InChI=1S/C12H16N2O/c1-8(13)5-9-7-14-12-4-3-10(15-2)6-11(9)12/h3-4,6-8,14H,5,13H2,1-2H3/t8-/m0/s1
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417n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from 5-HT1B receptor of rat frontal cortex homogenate


J Med Chem 31: 1406-12 (1988)


BindingDB Entry DOI: 10.7270/Q2JD500M
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50038350
PNG
((R)-6-Chloro-2-methyl-1-phenyl-1,2,3,4-tetrahydro-...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H]1c1ccccc1
Show InChI InChI=1S/C16H16ClNO/c1-18-8-7-12-9-14(17)15(19)10-13(12)16(18)11-5-3-2-4-6-11/h2-6,9-10,16,19H,7-8H2,1H3/t16-/m1/s1
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442n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]SCH-23,390 binding to Dopamine receptor D1 at 0.25 nM


J Med Chem 31: 1941-6 (1988)


BindingDB Entry DOI: 10.7270/Q20002PD
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50038350
PNG
((R)-6-Chloro-2-methyl-1-phenyl-1,2,3,4-tetrahydro-...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H]1c1ccccc1
Show InChI InChI=1S/C16H16ClNO/c1-18-8-7-12-9-14(17)15(19)10-13(12)16(18)11-5-3-2-4-6-11/h2-6,9-10,16,19H,7-8H2,1H3/t16-/m1/s1
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447n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of Escherichia coli dihydrofolate reductase.


J Med Chem 32: 2050-8 (1989)


BindingDB Entry DOI: 10.7270/Q2RV0QXV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50022053
PNG
(1-Benzyl-6-chloro-2-methyl-1,2,3,4-tetrahydro-isoq...)
Show SMILES CN1CC(c2ccccc2)c2cc(O)c(Cl)cc2C1
Show InChI InChI=1S/C16H16ClNO/c1-18-9-12-7-15(17)16(19)8-13(12)14(10-18)11-5-3-2-4-6-11/h2-8,14,19H,9-10H2,1H3
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522n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to Dopamine receptor D2 at 0.02 nM


J Med Chem 31: 1941-6 (1988)


BindingDB Entry DOI: 10.7270/Q20002PD
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50022054
PNG
(7-Chloro-4-phenyl-1,2,3,4-tetrahydro-isoquinolin-6...)
Show SMILES Oc1cc2C(CNCc2cc1Cl)c1ccccc1
Show InChI InChI=1S/C15H14ClNO/c16-14-6-11-8-17-9-13(12(11)7-15(14)18)10-4-2-1-3-5-10/h1-7,13,17-18H,8-9H2
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565n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]SCH-23,390 binding to Dopamine receptor D1 at 0.25 nM


J Med Chem 31: 1941-6 (1988)


BindingDB Entry DOI: 10.7270/Q20002PD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50004796
PNG
(8-Chloro-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...)
Show SMILES Oc1cc2C(CNCCc2cc1Cl)c1ccccc1
Show InChI InChI=1S/C16H16ClNO/c17-15-8-12-6-7-18-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,18-19H,6-7,10H2
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676n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to Dopamine receptor D2 at 0.02 nM


J Med Chem 31: 1941-6 (1988)


BindingDB Entry DOI: 10.7270/Q20002PD
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50227458
PNG
(CHEMBL2093088)
Show SMILES COc1ccc2[nH]cc(C[C@H](C)N)c2c1 |r|
Show InChI InChI=1S/C12H16N2O/c1-8(13)5-9-7-14-12-4-3-10(15-2)6-11(9)12/h3-4,6-8,14H,5,13H2,1-2H3/t8-/m0/s1
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708n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor of rat frontal cortex homogenate


J Med Chem 31: 1406-12 (1988)


BindingDB Entry DOI: 10.7270/Q2JD500M
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50367600
PNG
(CHEMBL1788322)
Show SMILES Oc1cc2[C@H](NCCc2cc1Cl)c1ccccc1 |r|
Show InChI InChI=1S/C15H14ClNO/c16-13-8-11-6-7-17-15(12(11)9-14(13)18)10-4-2-1-3-5-10/h1-5,8-9,15,17-18H,6-7H2/t15-/m1/s1
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743n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]SCH-23,390 binding to Dopamine receptor D1 at 0.25 nM


J Med Chem 31: 1941-6 (1988)


BindingDB Entry DOI: 10.7270/Q20002PD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))
BDBM50227467
PNG
(CHEMBL1744072)
Show SMILES COc1cccc2[nH]cc(C[C@@H](C)N)c12 |r|
Show InChI InChI=1S/C12H16N2O/c1-8(13)6-9-7-14-10-4-3-5-11(15-2)12(9)10/h3-5,7-8,14H,6,13H2,1-2H3/t8-/m1/s1
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776n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from 5-HT1B receptor of rat frontal cortex homogenate


J Med Chem 31: 1406-12 (1988)


BindingDB Entry DOI: 10.7270/Q2JD500M
More data for this
Ligand-Target Pair
D(2) 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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891n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of Escherichia coli dihydrofolate reductase.


J Med Chem 32: 2050-8 (1989)


BindingDB Entry DOI: 10.7270/Q2RV0QXV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
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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900n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to Dopamine receptor D2 at 0.02 nM


J Med Chem 31: 1941-6 (1988)


BindingDB Entry DOI: 10.7270/Q20002PD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50022051
PNG
(1-Phenyl-6-chloro-7-hydroxy-N-methyl-1,2,3,4-tetra...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C1c1ccccc1
Show InChI InChI=1S/C16H16ClNO/c1-18-8-7-12-9-14(17)15(19)10-13(12)16(18)11-5-3-2-4-6-11/h2-6,9-10,16,19H,7-8H2,1H3
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915n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to Dopamine receptor D2 at 0.02 nM


J Med Chem 31: 1941-6 (1988)


BindingDB Entry DOI: 10.7270/Q20002PD
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50227460
PNG
(CHEMBL1788280)
Show SMILES COc1cccc2[nH]cc(C[C@H](C)N)c12 |r|
Show InChI InChI=1S/C12H16N2O/c1-8(13)6-9-7-14-10-4-3-5-11(15-2)12(9)10/h3-5,7-8,14H,6,13H2,1-2H3/t8-/m0/s1
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955n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor of rat frontal cortex homogenate


J Med Chem 31: 1406-12 (1988)


BindingDB Entry DOI: 10.7270/Q2JD500M
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50227463
PNG
(CHEBI:48297 | CHEMBL1416204)
Show SMILES C[C@H](N)Cc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C11H14N2O/c1-7(12)4-8-6-13-11-3-2-9(14)5-10(8)11/h2-3,5-7,13-14H,4,12H2,1H3/t7-/m0/s1
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977n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor of rat frontal cortex homogenate


J Med Chem 31: 1406-12 (1988)


BindingDB Entry DOI: 10.7270/Q2JD500M
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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977n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor of rat frontal cortex homogenate


J Med Chem 31: 1406-12 (1988)


BindingDB Entry DOI: 10.7270/Q2JD500M
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM82087
PNG
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)
Show SMILES COc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
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1.02E+3n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor of rat frontal cortex homogenate


J Med Chem 31: 1406-12 (1988)


BindingDB Entry DOI: 10.7270/Q2JD500M
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50227461
PNG
(CHEMBL1788281)
Show SMILES COc1ccc2[nH]cc(C[C@@H](C)N)c2c1 |r|
Show InChI InChI=1S/C12H16N2O/c1-8(13)5-9-7-14-12-4-3-10(15-2)6-11(9)12/h3-4,6-8,14H,5,13H2,1-2H3/t8-/m1/s1
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1.29E+3n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor of rat frontal cortex homogenate


J Med Chem 31: 1406-12 (1988)


BindingDB Entry DOI: 10.7270/Q2JD500M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))
BDBM50227457
PNG
(CHEMBL1788285)
Show SMILES C[C@@H](N)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C11H14N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6,12H2,1H3/t8-/m1/s1
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1.38E+3n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from 5-HT1B receptor of rat frontal cortex homogenate


J Med Chem 31: 1406-12 (1988)


BindingDB Entry DOI: 10.7270/Q2JD500M
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50227467
PNG
(CHEMBL1744072)
Show SMILES COc1cccc2[nH]cc(C[C@@H](C)N)c12 |r|
Show InChI InChI=1S/C12H16N2O/c1-8(13)6-9-7-14-10-4-3-5-11(15-2)12(9)10/h3-5,7-8,14H,6,13H2,1-2H3/t8-/m1/s1
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1.45E+3n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor of rat frontal cortex homogenate


J Med Chem 31: 1406-12 (1988)


BindingDB Entry DOI: 10.7270/Q2JD500M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))
BDBM50227466
PNG
(CHEMBL2093087)
Show SMILES C[C@H](N)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C11H14N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6,12H2,1H3/t8-/m0/s1
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1.51E+3n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from 5-HT1B receptor of rat frontal cortex homogenate


J Med Chem 31: 1406-12 (1988)


BindingDB Entry DOI: 10.7270/Q2JD500M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))
BDBM50227462
PNG
(CHEMBL1788284)
Show SMILES C[C@@H](N)Cc1c[nH]c2cccc(O)c12 |r|
Show InChI InChI=1S/C11H14N2O/c1-7(12)5-8-6-13-9-3-2-4-10(14)11(8)9/h2-4,6-7,13-14H,5,12H2,1H3/t7-/m1/s1
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1.55E+3n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from 5-HT1B receptor of rat frontal cortex homogenate


J Med Chem 31: 1406-12 (1988)


BindingDB Entry DOI: 10.7270/Q2JD500M
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50228323
PNG
(CHEMBL59603)
Show SMILES Oc1cc2[C@@H](CNCc2cc1Cl)c1ccccc1
Show InChI InChI=1S/C15H14ClNO/c16-14-6-11-8-17-9-13(12(11)7-15(14)18)10-4-2-1-3-5-10/h1-7,13,17-18H,8-9H2/t13-/m0/s1
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1.82E+3n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of rat liver dihydrofolate reductase.


J Med Chem 32: 2050-8 (1989)


BindingDB Entry DOI: 10.7270/Q2RV0QXV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50038349
PNG
((S)-6-Chloro-2-methyl-1-phenyl-1,2,3,4-tetrahydro-...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]1c1ccccc1
Show InChI InChI=1S/C16H16ClNO/c1-18-8-7-12-9-14(17)15(19)10-13(12)16(18)11-5-3-2-4-6-11/h2-6,9-10,16,19H,7-8H2,1H3/t16-/m0/s1
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1.85E+3n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to Dopamine receptor D2 at 0.02 nM


J Med Chem 31: 1941-6 (1988)


BindingDB Entry DOI: 10.7270/Q20002PD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50038349
PNG
((S)-6-Chloro-2-methyl-1-phenyl-1,2,3,4-tetrahydro-...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]1c1ccccc1
Show InChI InChI=1S/C16H16ClNO/c1-18-8-7-12-9-14(17)15(19)10-13(12)16(18)11-5-3-2-4-6-11/h2-6,9-10,16,19H,7-8H2,1H3/t16-/m0/s1
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1.86E+3n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Antibacterial activity against Escherichia coli


J Med Chem 32: 2050-8 (1989)


BindingDB Entry DOI: 10.7270/Q2RV0QXV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50367601
PNG
(CHEMBL293828)
Show SMILES CCCN1CCc2cc(Cl)c(O)cc2[C@@H]1c1ccccc1
Show InChI InChI=1S/C18H20ClNO/c1-2-9-20-10-8-14-11-16(19)17(21)12-15(14)18(20)13-6-4-3-5-7-13/h3-7,11-12,18,21H,2,8-10H2,1H3/t18-/m0/s1
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1.90E+3n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to Dopamine receptor D2 at 0.02 nM


J Med Chem 31: 1941-6 (1988)


BindingDB Entry DOI: 10.7270/Q20002PD
More data for this
Ligand-Target Pair
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