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Compile Data Set for Download or QSAR

Found 35 hits Enz. Inhib. hit(s) with all data for entry = 50018607   
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(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50610253
PNG
(CHEMBL5283620)
Show SMILES CCCN(CCc1ccc(CCN(CCC)[C@H]2CCc3c(O)cccc3C2)cc1)[C@@H]1CCc2cc(O)c(O)cc2C1 |r|
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1.30n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50610247
PNG
(CHEMBL5276671)
Show SMILES CCCN(CCCCCCCCCCN(CCC)[C@@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1 |r|
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1.80n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50610247
PNG
(CHEMBL5276671)
Show SMILES CCCN(CCCCCCCCCCN(CCC)[C@@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1 |r|
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2n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50115277
PNG
((2R,3R)-6-Dipropylamino-5,6,7,8-tetrahydro-naphtha...)
Show SMILES CCCN(CCC)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18/h5-7,14,18H,3-4,8-12H2,1-2H3/t14-/m0/s1
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Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50610250
PNG
(CHEMBL5267221)
Show SMILES CCCN(CCc1ccc(CCN(CCC)[C@H]2CCc3c(O)cccc3C2)cc1)[C@H]1CCc2nc(N)sc2C1 |r|
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2.20n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50610248
PNG
(CHEMBL5274131)
Show SMILES CCCN(CCN1CCN(CCN(CCC)[C@H]2CCc3c(O)cccc3C2)CC1)[C@H]1CCc2c(O)cccc2C1 |r|
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3.60n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50610249
PNG
(CHEMBL5282690)
Show SMILES CCCN(CCc1ccc(CCN(CCC)[C@H]2CCc3c(O)cccc3C2)cc1)[C@H]1CCc2c(O)cccc2C1 |r|
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Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50610249
PNG
(CHEMBL5282690)
Show SMILES CCCN(CCc1ccc(CCN(CCC)[C@H]2CCc3c(O)cccc3C2)cc1)[C@H]1CCc2c(O)cccc2C1 |r|
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Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50610250
PNG
(CHEMBL5267221)
Show SMILES CCCN(CCc1ccc(CCN(CCC)[C@H]2CCc3c(O)cccc3C2)cc1)[C@H]1CCc2nc(N)sc2C1 |r|
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4.90n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50610251
PNG
(CHEMBL5272529)
Show SMILES Br.Br.CCCN(CCc1cc(O)c(CCN(CCC)[C@H]2CCc3c(O)cccc3C2)cc1O)[C@H]1CCc2c(O)cccc2C1 |r|
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5.20n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50610252
PNG
(CHEMBL5266134)
Show SMILES CCCN(CCc1cc(O)c(CCN(CCC)[C@H]2CCc3nc(N)sc3C2)cc1O)[C@H]1CCc2nc(N)sc2C1 |r|
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6.90n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50610251
PNG
(CHEMBL5272529)
Show SMILES Br.Br.CCCN(CCc1cc(O)c(CCN(CCC)[C@H]2CCc3c(O)cccc3C2)cc1O)[C@H]1CCc2c(O)cccc2C1 |r|
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7.60n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50610253
PNG
(CHEMBL5283620)
Show SMILES CCCN(CCc1ccc(CCN(CCC)[C@H]2CCc3c(O)cccc3C2)cc1)[C@@H]1CCc2cc(O)c(O)cc2C1 |r|
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8.30n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50610248
PNG
(CHEMBL5274131)
Show SMILES CCCN(CCN1CCN(CCN(CCC)[C@H]2CCc3c(O)cccc3C2)CC1)[C@H]1CCc2c(O)cccc2C1 |r|
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12n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50610252
PNG
(CHEMBL5266134)
Show SMILES CCCN(CCc1cc(O)c(CCN(CCC)[C@H]2CCc3nc(N)sc3C2)cc1O)[C@H]1CCc2nc(N)sc2C1 |r|
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55n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50610254
PNG
(CHEMBL5265882)
Show SMILES CCCN(CC(=O)N1CCN(CC1)C(=O)CN(CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1 |r|
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115n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50115277
PNG
((2R,3R)-6-Dipropylamino-5,6,7,8-tetrahydro-naphtha...)
Show SMILES CCCN(CCC)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18/h5-7,14,18H,3-4,8-12H2,1-2H3/t14-/m0/s1
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Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)
BDBM50610253
PNG
(CHEMBL5283620)
Show SMILES CCCN(CCc1ccc(CCN(CCC)[C@H]2CCc3c(O)cccc3C2)cc1)[C@@H]1CCc2cc(O)c(O)cc2C1 |r|
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n/an/an/an/a 0.860n/an/an/an/a


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Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)
BDBM50610252
PNG
(CHEMBL5266134)
Show SMILES CCCN(CCc1cc(O)c(CCN(CCC)[C@H]2CCc3nc(N)sc3C2)cc1O)[C@H]1CCc2nc(N)sc2C1 |r|
PDB

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n/an/an/an/a 5.40n/an/an/an/a


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Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)
BDBM50610251
PNG
(CHEMBL5272529)
Show SMILES Br.Br.CCCN(CCc1cc(O)c(CCN(CCC)[C@H]2CCc3c(O)cccc3C2)cc1O)[C@H]1CCc2c(O)cccc2C1 |r|
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n/an/an/an/a 1.5n/an/an/an/a


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Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)
BDBM50610250
PNG
(CHEMBL5267221)
Show SMILES CCCN(CCc1ccc(CCN(CCC)[C@H]2CCc3c(O)cccc3C2)cc1)[C@H]1CCc2nc(N)sc2C1 |r|
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n/an/an/an/a 13n/an/an/an/a


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Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)
BDBM50610247
PNG
(CHEMBL5276671)
Show SMILES CCCN(CCCCCCCCCCN(CCC)[C@@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1 |r|
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n/an/an/an/a 0.940n/an/an/an/a


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Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)
BDBM50610255
PNG
(CHEMBL5275212)
Show SMILES CCCN(CCCCCCCCCN(CCC)[C@@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1 |r|
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n/an/an/an/a 0.530n/an/an/an/a


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Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)
BDBM50115277
PNG
((2R,3R)-6-Dipropylamino-5,6,7,8-tetrahydro-naphtha...)
Show SMILES CCCN(CCC)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18/h5-7,14,18H,3-4,8-12H2,1-2H3/t14-/m0/s1
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n/an/an/an/a 0.630n/an/an/an/a


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Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50116766
PNG
((-)-Pramipexole | (6S)-N(6)-propyl-4,5,6,7-tetrahy...)
Show SMILES CCCN[C@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1
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n/an/an/an/a 251n/an/an/an/a


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Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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n/an/an/an/a 200n/an/an/an/a


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Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50610253
PNG
(CHEMBL5283620)
Show SMILES CCCN(CCc1ccc(CCN(CCC)[C@H]2CCc3c(O)cccc3C2)cc1)[C@@H]1CCc2cc(O)c(O)cc2C1 |r|
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Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50610252
PNG
(CHEMBL5266134)
Show SMILES CCCN(CCc1cc(O)c(CCN(CCC)[C@H]2CCc3nc(N)sc3C2)cc1O)[C@H]1CCc2nc(N)sc2C1 |r|
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Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50610251
PNG
(CHEMBL5272529)
Show SMILES Br.Br.CCCN(CCc1cc(O)c(CCN(CCC)[C@H]2CCc3c(O)cccc3C2)cc1O)[C@H]1CCc2c(O)cccc2C1 |r|
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Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50610250
PNG
(CHEMBL5267221)
Show SMILES CCCN(CCc1ccc(CCN(CCC)[C@H]2CCc3c(O)cccc3C2)cc1)[C@H]1CCc2nc(N)sc2C1 |r|
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Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50610247
PNG
(CHEMBL5276671)
Show SMILES CCCN(CCCCCCCCCCN(CCC)[C@@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1 |r|
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Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50610255
PNG
(CHEMBL5275212)
Show SMILES CCCN(CCCCCCCCCN(CCC)[C@@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1 |r|
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Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)
BDBM50116766
PNG
((-)-Pramipexole | (6S)-N(6)-propyl-4,5,6,7-tetrahy...)
Show SMILES CCCN[C@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1
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Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50115277
PNG
((2R,3R)-6-Dipropylamino-5,6,7,8-tetrahydro-naphtha...)
Show SMILES CCCN(CCC)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18/h5-7,14,18H,3-4,8-12H2,1-2H3/t14-/m0/s1
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Ligand-Target Pair