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PubMed code 1531075

Compile data set for download or QSAR
Found 13 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
Dopamine D1 and D2 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
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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0.170n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 from canine striatum


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50368313
PNG
(CHEMBL1744079)
Show SMILES CN1CCc2cc(Br)c(O)cc2[C@H](C1)c1ccccc1
Show InChI InChI=1S/C17H18BrNO/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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0.580n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 from canine striatum


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50004793
PNG
(3-Allyl-8-bromo-5-phenyl-2,3,4,5-tetrahydro-1H-ben...)
Show SMILES Oc1cc2C(CN(CC=C)CCc2cc1Br)c1ccccc1
Show InChI InChI=1S/C19H20BrNO/c1-2-9-21-10-8-15-11-18(20)19(22)12-16(15)17(13-21)14-6-4-3-5-7-14/h2-7,11-12,17,22H,1,8-10,13H2
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0.900n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 from canine striatum


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50004792
PNG
(3-Allyl-8-chloro-5-phenyl-2,3,4,5-tetrahydro-1H-be...)
Show SMILES Oc1cc2C(CN(CC=C)CCc2cc1Cl)c1ccccc1
Show InChI InChI=1S/C19H20ClNO/c1-2-9-21-10-8-15-11-18(20)19(22)12-16(15)17(13-21)14-6-4-3-5-7-14/h2-7,11-12,17,22H,1,8-10,13H2
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1.20n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 from canine striatum


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50004797
PNG
(8-Bromo-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]aze...)
Show SMILES Oc1cc2C(CNCCc2cc1Br)c1ccccc1
Show InChI InChI=1S/C16H16BrNO/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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4.10n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 from canine striatum


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
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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4.90n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 from canine striatum


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50368312
PNG
(CHEMBL1744078 | SCH-23982)
Show SMILES CN1CCc2ccc(O)cc2[C@H](C1)c1ccccc1
Show InChI InChI=1S/C17H19NO/c1-18-10-9-14-7-8-15(19)11-16(14)17(12-18)13-5-3-2-4-6-13/h2-8,11,17,19H,9-10,12H2,1H3/t17-/m1/s1
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6n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 from canine striatum


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50004791
PNG
(3-Allyl-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]aze...)
Show SMILES Oc1ccc2CCN(CC=C)CC(c3ccccc3)c2c1
Show InChI InChI=1S/C19H21NO/c1-2-11-20-12-10-16-8-9-17(21)13-18(16)19(14-20)15-6-4-3-5-7-15/h2-9,13,19,21H,1,10-12,14H2
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48n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 from canine striatum


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50004793
PNG
(3-Allyl-8-bromo-5-phenyl-2,3,4,5-tetrahydro-1H-ben...)
Show SMILES Oc1cc2C(CN(CC=C)CCc2cc1Br)c1ccccc1
Show InChI InChI=1S/C19H20BrNO/c1-2-9-21-10-8-15-11-18(20)19(22)12-16(15)17(13-21)14-6-4-3-5-7-14/h2-7,11-12,17,22H,1,8-10,13H2
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629n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]spiperone binding to Dopamine receptor D2


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50004794
PNG
(5-Phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ol...)
Show SMILES Oc1ccc2CCNCC(c3ccccc3)c2c1
Show InChI InChI=1S/C16H17NO/c18-14-7-6-13-8-9-17-11-16(15(13)10-14)12-4-2-1-3-5-12/h1-7,10,16-18H,8-9,11H2
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702n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 from canine striatum


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
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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1.37E+3n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]spiperone binding to Dopamine receptor D2 from pig anterior pituitary tissue


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50004794
PNG
(5-Phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ol...)
Show SMILES Oc1ccc2CCNCC(c3ccccc3)c2c1
Show InChI InChI=1S/C16H17NO/c18-14-7-6-13-8-9-17-11-16(15(13)10-14)12-4-2-1-3-5-12/h1-7,10,16-18H,8-9,11H2
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4.41E+3n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]spiperone binding to Dopamine receptor D2


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50004797
PNG
(8-Bromo-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]aze...)
Show SMILES Oc1cc2C(CNCCc2cc1Br)c1ccccc1
Show InChI InChI=1S/C16H16BrNO/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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5.76E+3n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]spiperone binding to Dopamine receptor D2


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%