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PubMed code 1671415

Compile data set for download or QSAR
Found 16 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 D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007423
PNG
((R)6-Allyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qui...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CCc4cccc(c34)-c2c1O
Show InChI InChI=1S/C19H19NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h2-7,15,21-22H,1,8-11H2/t15-/m1/s1
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0.240n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit Dopamine receptor D2 in rat striatum using [3H]spiperone


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007422
PNG
((+)-6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31
Show InChI InChI=1S/C19H21NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h3-7,15,21-22H,2,8-11H2,1H3/t15-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit dopamine receptor D2 in rat striatum using [3H]-spiperone


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM84636
PNG
(CHEMBL27559 | NPA-11-OH-R,(+))
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(O)c-31
Show InChI InChI=1S/C19H21NO/c1-2-10-20-11-9-13-5-3-7-15-18(13)16(20)12-14-6-4-8-17(21)19(14)15/h3-8,16,21H,2,9-12H2,1H3/t16-/m1/s1
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0.900n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit Dopamine receptor D2 in rat striatum using [3H]spiperone


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50368145
PNG
(CHEMBL1788212)
Show SMILES Oc1cccc2C[C@H]3N(CC=C)CCc4cccc(c34)-c12
Show InChI InChI=1S/C19H19NO/c1-2-10-20-11-9-13-5-3-7-15-18(13)16(20)12-14-6-4-8-17(21)19(14)15/h2-8,16,21H,1,9-12H2/t16-/m1/s1
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2n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit dopamine receptor D2 in rat striatum using [3H]-spiperone


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007424
PNG
((S)6-Allyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qui...)
Show SMILES Oc1ccc2C[C@@H]3N(CC=C)CCc4cccc(c34)-c2c1O
Show InChI InChI=1S/C19H19NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h2-7,15,21-22H,1,8-11H2/t15-/m0/s1
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13n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit dopamine receptor D2 in rat striatum using [3H]-spiperone


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50023739
PNG
((S)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CCCN1CCc2cccc-3c2[C@@H]1Cc1cccc(O)c-31
Show InChI InChI=1S/C19H21NO/c1-2-10-20-11-9-13-5-3-7-15-18(13)16(20)12-14-6-4-8-17(21)19(14)15/h3-8,16,21H,2,9-12H2,1H3/t16-/m0/s1
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35n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit Dopamine receptor D2 in rat striatum using [3H]spiperone


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007425
PNG
((S) 6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CCCN1CCc2cccc-3c2[C@@H]1Cc1ccc(O)c(O)c-31
Show InChI InChI=1S/C19H21NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h3-7,15,21-22H,2,8-11H2,1H3/t15-/m0/s1
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38n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit dopamine receptor D2 in rat striatum using [3H]-spiperone


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50368144
PNG
(CHEMBL1744043)
Show SMILES Oc1cccc2C[C@@H]3N(CC=C)CCc4cccc(c34)-c12
Show InChI InChI=1S/C19H19NO/c1-2-10-20-11-9-13-5-3-7-15-18(13)16(20)12-14-6-4-8-17(21)19(14)15/h2-8,16,21H,1,9-12H2/t16-/m0/s1
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155n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit dopamine receptor D2 in rat striatum using [3H]-spiperone


Citation and Details
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50007422
PNG
((+)-6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31
Show InChI InChI=1S/C19H21NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h3-7,15,21-22H,2,8-11H2,1H3/t15-/m1/s1
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340n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit dopamine receptor D1 in rat striatum using [3H]SCH-23390


Citation and Details
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM84636
PNG
(CHEMBL27559 | NPA-11-OH-R,(+))
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(O)c-31
Show InChI InChI=1S/C19H21NO/c1-2-10-20-11-9-13-5-3-7-15-18(13)16(20)12-14-6-4-8-17(21)19(14)15/h3-8,16,21H,2,9-12H2,1H3/t16-/m1/s1
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434n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit Dopamine receptor D1 in rat striatum using [3H]SCH-23390


Citation and Details
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50368145
PNG
(CHEMBL1788212)
Show SMILES Oc1cccc2C[C@H]3N(CC=C)CCc4cccc(c34)-c12
Show InChI InChI=1S/C19H19NO/c1-2-10-20-11-9-13-5-3-7-15-18(13)16(20)12-14-6-4-8-17(21)19(14)15/h2-8,16,21H,1,9-12H2/t16-/m1/s1
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452n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit dopamine receptor D1 in rat striatum using [3H]SCH-23390


Citation and Details
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50007423
PNG
((R)6-Allyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qui...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CCc4cccc(c34)-c2c1O
Show InChI InChI=1S/C19H19NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h2-7,15,21-22H,1,8-11H2/t15-/m1/s1
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617n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit Dopamine receptor D1 in rat striatum using [3H]SCH-23390


Citation and Details
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50007425
PNG
((S) 6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CCCN1CCc2cccc-3c2[C@@H]1Cc1ccc(O)c(O)c-31
Show InChI InChI=1S/C19H21NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h3-7,15,21-22H,2,8-11H2,1H3/t15-/m0/s1
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1.35E+3n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit dopamine receptor D1 in rat striatum using [3H]SCH-23390


Citation and Details
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50023739
PNG
((S)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CCCN1CCc2cccc-3c2[C@@H]1Cc1cccc(O)c-31
Show InChI InChI=1S/C19H21NO/c1-2-10-20-11-9-13-5-3-7-15-18(13)16(20)12-14-6-4-8-17(21)19(14)15/h3-8,16,21H,2,9-12H2,1H3/t16-/m0/s1
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1.41E+3n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit Dopamine receptor D1 in rat striatum using [3H]SCH-23390


Citation and Details
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50007424
PNG
((S)6-Allyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qui...)
Show SMILES Oc1ccc2C[C@@H]3N(CC=C)CCc4cccc(c34)-c2c1O
Show InChI InChI=1S/C19H19NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h2-7,15,21-22H,1,8-11H2/t15-/m0/s1
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1.97E+3n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit dopamine receptor D1 in rat striatum using [3H]SCH-23390


Citation and Details
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50368144
PNG
(CHEMBL1744043)
Show SMILES Oc1cccc2C[C@@H]3N(CC=C)CCc4cccc(c34)-c12
Show InChI InChI=1S/C19H19NO/c1-2-10-20-11-9-13-5-3-7-15-18(13)16(20)12-14-6-4-8-17(21)19(14)15/h2-8,16,21H,1,9-12H2/t16-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit dopamine receptor D1 in rat striatum using [3H]SCH-23390


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