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Compile Data Set for Download or QSAR

Found 68 hits Enz. Inhib. hit(s) with all data for entry = 50036868   
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(4) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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2n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonism of dopamine-stimulated [35S]GTP-gamma-S binding against human Dopamine receptor D4 in CHO cells


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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7n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonism of dopamine-stimulated [35S]GTP-gamma-S binding against human Dopamine receptor D2 in CHO cells


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50369659
PNG
(CHEMBL1202208)
Show SMILES Cc1ccc(N2CCN(C[C@@H]3C[C@H]3c3ccccc3)CC2)c(C)c1 |r|
Show InChI InChI=1S/C22H28N2/c1-17-8-9-22(18(2)14-17)24-12-10-23(11-13-24)16-20-15-21(20)19-6-4-3-5-7-19/h3-9,14,20-21H,10-13,15-16H2,1-2H3/t20-,21-/m0/s1
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13n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonism of dopamine-stimulated [35S]GTP-gamma-S binding against human Dopamine receptor D4 in CHO cells


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50369659
PNG
(CHEMBL1202208)
Show SMILES Cc1ccc(N2CCN(C[C@@H]3C[C@H]3c3ccccc3)CC2)c(C)c1 |r|
Show InChI InChI=1S/C22H28N2/c1-17-8-9-22(18(2)14-17)24-12-10-23(11-13-24)16-20-15-21(20)19-6-4-3-5-7-19/h3-9,14,20-21H,10-13,15-16H2,1-2H3/t20-,21-/m0/s1
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61n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonism of dopamine-stimulated [35S]GTP-gamma-S binding against human Dopamine receptor D2 in CHO cells


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50369666
PNG
(CHEMBL1202213)
Show SMILES Clc1cccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c1Cl |r|
Show InChI InChI=1S/C20H22Cl2N2/c21-18-7-4-8-19(20(18)22)24-11-9-23(10-12-24)14-16-13-17(16)15-5-2-1-3-6-15/h1-8,16-17H,9-14H2/t16-,17-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D2 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50369656
PNG
(CHEMBL1202211)
Show SMILES COc1cc(Cl)ccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 |r|
Show InChI InChI=1S/C21H25ClN2O/c1-25-21-14-18(22)7-8-20(21)24-11-9-23(10-12-24)15-17-13-19(17)16-5-3-2-4-6-16/h2-8,14,17,19H,9-13,15H2,1H3/t17-,19-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D4 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50369658
PNG
(CHEMBL1202216)
Show SMILES COc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 |r|
Show InChI InChI=1S/C21H26N2O/c1-24-21-10-6-5-9-20(21)23-13-11-22(12-14-23)16-18-15-19(18)17-7-3-2-4-8-17/h2-10,18-19H,11-16H2,1H3/t18-,19-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D4 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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n/an/a 4n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D2 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50369674
PNG
(CHEMBL1202220)
Show SMILES Clc1ccc(cc1)N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 |r|
Show InChI InChI=1S/C20H23ClN2/c21-18-6-8-19(9-7-18)23-12-10-22(11-13-23)15-17-14-20(17)16-4-2-1-3-5-16/h1-9,17,20H,10-15H2/t17-,20-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D4 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50369661
PNG
(CHEMBL1202205)
Show SMILES COc1ccc(Cl)cc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 |r|
Show InChI InChI=1S/C21H25ClN2O/c1-25-21-8-7-18(22)14-20(21)24-11-9-23(10-12-24)15-17-13-19(17)16-5-3-2-4-6-16/h2-8,14,17,19H,9-13,15H2,1H3/t17-,19-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D2 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50369652
PNG
(CHEMBL1202215)
Show SMILES Clc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 |r|
Show InChI InChI=1S/C20H23ClN2/c21-19-8-4-5-9-20(19)23-12-10-22(11-13-23)15-17-14-18(17)16-6-2-1-3-7-16/h1-9,17-18H,10-15H2/t17-,18-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D2 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50369658
PNG
(CHEMBL1202216)
Show SMILES COc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 |r|
Show InChI InChI=1S/C21H26N2O/c1-24-21-10-6-5-9-20(21)23-13-11-22(12-14-23)16-18-15-19(18)17-7-3-2-4-8-17/h2-10,18-19H,11-16H2,1H3/t18-,19-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D2 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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n/an/a 5n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D4 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50092043
PNG
(1-(2,4-Dichloro-phenyl)-4-((1S,2S)-2-phenyl-cyclop...)
Show SMILES Clc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c(Cl)c1
Show InChI InChI=1S/C20H22Cl2N2/c21-17-6-7-20(19(22)13-17)24-10-8-23(9-11-24)14-16-12-18(16)15-4-2-1-3-5-15/h1-7,13,16,18H,8-12,14H2/t16-,18-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D4 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50369671
PNG
(CHEMBL1202214)
Show SMILES COc1cc(F)ccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 |r|
Show InChI InChI=1S/C21H25FN2O/c1-25-21-14-18(22)7-8-20(21)24-11-9-23(10-12-24)15-17-13-19(17)16-5-3-2-4-6-16/h2-8,14,17,19H,9-13,15H2,1H3/t17-,19-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D4 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50369664
PNG
(CHEMBL1202206)
Show SMILES COc1ccc(cc1)[C@H]1C[C@@H]1CN1CCN(CC1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C21H24Cl2N2O/c1-26-18-5-2-15(3-6-18)19-12-16(19)14-24-8-10-25(11-9-24)21-7-4-17(22)13-20(21)23/h2-7,13,16,19H,8-12,14H2,1H3/t16-,19-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D2 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50369659
PNG
(CHEMBL1202208)
Show SMILES Cc1ccc(N2CCN(C[C@@H]3C[C@H]3c3ccccc3)CC2)c(C)c1 |r|
Show InChI InChI=1S/C22H28N2/c1-17-8-9-22(18(2)14-17)24-12-10-23(11-13-24)16-20-15-21(20)19-6-4-3-5-7-19/h3-9,14,20-21H,10-13,15-16H2,1-2H3/t20-,21-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D4 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50369652
PNG
(CHEMBL1202215)
Show SMILES Clc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 |r|
Show InChI InChI=1S/C20H23ClN2/c21-19-8-4-5-9-20(19)23-12-10-22(11-13-23)15-17-14-18(17)16-6-2-1-3-7-16/h1-9,17-18H,10-15H2/t17-,18-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D4 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50369666
PNG
(CHEMBL1202213)
Show SMILES Clc1cccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c1Cl |r|
Show InChI InChI=1S/C20H22Cl2N2/c21-18-7-4-8-19(20(18)22)24-11-9-23(10-12-24)14-16-13-17(16)15-5-2-1-3-6-15/h1-8,16-17H,9-14H2/t16-,17-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D4 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50369661
PNG
(CHEMBL1202205)
Show SMILES COc1ccc(Cl)cc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 |r|
Show InChI InChI=1S/C21H25ClN2O/c1-25-21-8-7-18(22)14-20(21)24-11-9-23(10-12-24)15-17-13-19(17)16-5-3-2-4-6-16/h2-8,14,17,19H,9-13,15H2,1H3/t17-,19-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D4 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50369671
PNG
(CHEMBL1202214)
Show SMILES COc1cc(F)ccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 |r|
Show InChI InChI=1S/C21H25FN2O/c1-25-21-14-18(22)7-8-20(21)24-11-9-23(10-12-24)15-17-13-19(17)16-5-3-2-4-6-16/h2-8,14,17,19H,9-13,15H2,1H3/t17-,19-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D2 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50369668
PNG
(CHEMBL1202219)
Show SMILES Fc1ccc(cc1)[C@H]1C[C@@H]1CN1CCN(CC1)c1ccccc1Cl |r|
Show InChI InChI=1S/C20H22ClFN2/c21-19-3-1-2-4-20(19)24-11-9-23(10-12-24)14-16-13-18(16)15-5-7-17(22)8-6-15/h1-8,16,18H,9-14H2/t16-,18-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D4 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50369653
PNG
(CHEMBL1202212)
Show SMILES Clc1ccc(cc1Cl)N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 |r|
Show InChI InChI=1S/C20H22Cl2N2/c21-19-7-6-17(13-20(19)22)24-10-8-23(9-11-24)14-16-12-18(16)15-4-2-1-3-5-15/h1-7,13,16,18H,8-12,14H2/t16-,18-/m1/s1
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D4 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50369667
PNG
(CHEMBL1202202)
Show SMILES Oc1ccc(cc1)[C@H]1C[C@@H]1CN1CCN(CC1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C20H22Cl2N2O/c21-16-3-6-20(19(22)12-16)24-9-7-23(8-10-24)13-15-11-18(15)14-1-4-17(25)5-2-14/h1-6,12,15,18,25H,7-11,13H2/t15-,18-/m1/s1
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D2 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50369668
PNG
(CHEMBL1202219)
Show SMILES Fc1ccc(cc1)[C@H]1C[C@@H]1CN1CCN(CC1)c1ccccc1Cl |r|
Show InChI InChI=1S/C20H22ClFN2/c21-19-3-1-2-4-20(19)24-11-9-23(10-12-24)14-16-13-18(16)15-5-7-17(22)8-6-15/h1-8,16,18H,9-14H2/t16-,18-/m1/s1
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D2 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50369650
PNG
(CHEMBL1202204)
Show SMILES COc1c(Cl)cc(cc1Cl)N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 |r|
Show InChI InChI=1S/C21H24Cl2N2O/c1-26-21-19(22)12-17(13-20(21)23)25-9-7-24(8-10-25)14-16-11-18(16)15-5-3-2-4-6-15/h2-6,12-13,16,18H,7-11,14H2,1H3/t16-,18-/m1/s1
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D4 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50369656
PNG
(CHEMBL1202211)
Show SMILES COc1cc(Cl)ccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 |r|
Show InChI InChI=1S/C21H25ClN2O/c1-25-21-14-18(22)7-8-20(21)24-11-9-23(10-12-24)15-17-13-19(17)16-5-3-2-4-6-16/h2-8,14,17,19H,9-13,15H2,1H3/t17-,19-/m1/s1
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D2 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50369651
PNG
(CHEMBL1204119)
Show SMILES Cc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c(C)c1
Show InChI InChI=1S/C22H28N2/c1-17-8-9-22(18(2)14-17)24-12-10-23(11-13-24)16-20-15-21(20)19-6-4-3-5-7-19/h3-9,14,20-21H,10-13,15-16H2,1-2H3/t20-,21-/m1/s1
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D4 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D4 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50369673
PNG
(CHEMBL1202223)
Show SMILES Fc1ccc(cc1)[C@H]1C[C@@H]1CN1CCN(CC1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C20H22ClFN2/c21-17-2-1-3-19(13-17)24-10-8-23(9-11-24)14-16-12-20(16)15-4-6-18(22)7-5-15/h1-7,13,16,20H,8-12,14H2/t16-,20-/m1/s1
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D4 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50369660
PNG
(CHEMBL1202222)
Show SMILES Fc1ccc(cc1)[C@H]1C[C@@H]1CN1CCN(CC1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C20H22ClFN2/c21-17-3-7-19(8-4-17)24-11-9-23(10-12-24)14-16-13-20(16)15-1-5-18(22)6-2-15/h1-8,16,20H,9-14H2/t16-,20-/m1/s1
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D4 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50369648
PNG
(CHEMBL1202210)
Show SMILES Cc1cc(Cl)ccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 |r|
Show InChI InChI=1S/C21H25ClN2/c1-16-13-19(22)7-8-21(16)24-11-9-23(10-12-24)15-18-14-20(18)17-5-3-2-4-6-17/h2-8,13,18,20H,9-12,14-15H2,1H3/t18-,20-/m1/s1
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D4 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50369669
PNG
(CHEMBL1202225)
Show SMILES Clc1cc(Cl)cc(c1)N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 |r|
Show InChI InChI=1S/C20H22Cl2N2/c21-17-11-18(22)13-19(12-17)24-8-6-23(7-9-24)14-16-10-20(16)15-4-2-1-3-5-15/h1-5,11-13,16,20H,6-10,14H2/t16-,20-/m1/s1
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D2 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50369655
PNG
(CHEMBL1202217)
Show SMILES COc1cccc(c1)N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 |r|
Show InChI InChI=1S/C21H26N2O/c1-24-20-9-5-8-19(15-20)23-12-10-22(11-13-23)16-18-14-21(18)17-6-3-2-4-7-17/h2-9,15,18,21H,10-14,16H2,1H3/t18-,21-/m1/s1
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D4 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50092753
PNG
((Racemate)-1-Phenyl-4-(2-phenyl-cyclopropylmethyl)...)
Show SMILES C([C@H]1C[C@@H]1c1ccccc1)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C20H24N2/c1-3-7-17(8-4-1)20-15-18(20)16-21-11-13-22(14-12-21)19-9-5-2-6-10-19/h1-10,18,20H,11-16H2/t18-,20-/m1/s1
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D2 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50369667
PNG
(CHEMBL1202202)
Show SMILES Oc1ccc(cc1)[C@H]1C[C@@H]1CN1CCN(CC1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C20H22Cl2N2O/c21-16-3-6-20(19(22)12-16)24-9-7-23(8-10-24)13-15-11-18(15)14-1-4-17(25)5-2-14/h1-6,12,15,18,25H,7-11,13H2/t15-,18-/m1/s1
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D4 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50369664
PNG
(CHEMBL1202206)
Show SMILES COc1ccc(cc1)[C@H]1C[C@@H]1CN1CCN(CC1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C21H24Cl2N2O/c1-26-18-5-2-15(3-6-18)19-12-16(19)14-24-8-10-25(11-9-24)21-7-4-17(22)13-20(21)23/h2-7,13,16,19H,8-12,14H2,1H3/t16-,19-/m1/s1
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D4 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50369651
PNG
(CHEMBL1204119)
Show SMILES Cc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c(C)c1
Show InChI InChI=1S/C22H28N2/c1-17-8-9-22(18(2)14-17)24-12-10-23(11-13-24)16-20-15-21(20)19-6-4-3-5-7-19/h3-9,14,20-21H,10-13,15-16H2,1-2H3/t20-,21-/m1/s1
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D2 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50092753
PNG
((Racemate)-1-Phenyl-4-(2-phenyl-cyclopropylmethyl)...)
Show SMILES C([C@H]1C[C@@H]1c1ccccc1)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C20H24N2/c1-3-7-17(8-4-1)20-15-18(20)16-21-11-13-22(14-12-21)19-9-5-2-6-10-19/h1-10,18,20H,11-16H2/t18-,20-/m1/s1
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D4 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50369673
PNG
(CHEMBL1202223)
Show SMILES Fc1ccc(cc1)[C@H]1C[C@@H]1CN1CCN(CC1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C20H22ClFN2/c21-17-2-1-3-19(13-17)24-10-8-23(9-11-24)14-16-12-20(16)15-4-6-18(22)7-5-15/h1-7,13,16,20H,8-12,14H2/t16-,20-/m1/s1
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D2 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50092765
PNG
(1-(2,4-Dichloro-phenyl)-4-(2-phenyl-cyclopropylmet...)
Show SMILES Clc1ccc(N2CCN(C[C@@H]3C[C@H]3c3ccccc3)CC2)c(Cl)c1
Show InChI InChI=1S/C20H22Cl2N2/c21-17-6-7-20(19(22)13-17)24-10-8-23(9-11-24)14-16-12-18(16)15-4-2-1-3-5-15/h1-7,13,16,18H,8-12,14H2/t16-,18-/m0/s1
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D2 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50092043
PNG
(1-(2,4-Dichloro-phenyl)-4-((1S,2S)-2-phenyl-cyclop...)
Show SMILES Clc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c(Cl)c1
Show InChI InChI=1S/C20H22Cl2N2/c21-17-6-7-20(19(22)13-17)24-10-8-23(9-11-24)14-16-12-18(16)15-4-2-1-3-5-15/h1-7,13,16,18H,8-12,14H2/t16-,18-/m1/s1
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D2 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50369663
PNG
(CHEMBL1202209)
Show SMILES Cc1cc(F)ccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 |r|
Show InChI InChI=1S/C21H25FN2/c1-16-13-19(22)7-8-21(16)24-11-9-23(10-12-24)15-18-14-20(18)17-5-3-2-4-6-17/h2-8,13,18,20H,9-12,14-15H2,1H3/t18-,20-/m1/s1
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D2 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50369663
PNG
(CHEMBL1202209)
Show SMILES Cc1cc(F)ccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 |r|
Show InChI InChI=1S/C21H25FN2/c1-16-13-19(22)7-8-21(16)24-11-9-23(10-12-24)15-18-14-20(18)17-5-3-2-4-6-17/h2-8,13,18,20H,9-12,14-15H2,1H3/t18-,20-/m1/s1
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D4 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50369662
PNG
(CHEMBL1202224)
Show SMILES COc1ccc(cc1)N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 |r|
Show InChI InChI=1S/C21H26N2O/c1-24-20-9-7-19(8-10-20)23-13-11-22(12-14-23)16-18-15-21(18)17-5-3-2-4-6-17/h2-10,18,21H,11-16H2,1H3/t18-,21-/m1/s1
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n/an/a 73n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D4 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50369659
PNG
(CHEMBL1202208)
Show SMILES Cc1ccc(N2CCN(C[C@@H]3C[C@H]3c3ccccc3)CC2)c(C)c1 |r|
Show InChI InChI=1S/C22H28N2/c1-17-8-9-22(18(2)14-17)24-12-10-23(11-13-24)16-20-15-21(20)19-6-4-3-5-7-19/h3-9,14,20-21H,10-13,15-16H2,1-2H3/t20-,21-/m0/s1
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n/an/a 73n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D2 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50369665
PNG
(CHEMBL1202221)
Show SMILES Clc1cccc(c1)N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 |r|
Show InChI InChI=1S/C20H23ClN2/c21-18-7-4-8-19(14-18)23-11-9-22(10-12-23)15-17-13-20(17)16-5-2-1-3-6-16/h1-8,14,17,20H,9-13,15H2/t17-,20-/m1/s1
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n/an/a 85n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D4 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50369654
PNG
(CHEMBL1203260)
Show SMILES C([C@H]1C[C@@H]1c1ccccc1)N1CCN(CC1)c1ccccn1 |r|
Show InChI InChI=1S/C19H23N3/c1-2-6-16(7-3-1)18-14-17(18)15-21-10-12-22(13-11-21)19-8-4-5-9-20-19/h1-9,17-18H,10-15H2/t17-,18-/m1/s1
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n/an/a 96n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D4 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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n/an/a 113n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D2 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50369648
PNG
(CHEMBL1202210)
Show SMILES Cc1cc(Cl)ccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 |r|
Show InChI InChI=1S/C21H25ClN2/c1-16-13-19(22)7-8-21(16)24-11-9-23(10-12-24)15-18-14-20(18)17-5-3-2-4-6-17/h2-8,13,18,20H,9-12,14-15H2,1H3/t18-,20-/m1/s1
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n/an/a 128n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D2 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
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