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5 similar compounds to monomer 50050474

Compile data set for download or QSAR
Wt: 365.8
BDBM50050472
Wt: 275.7
BDBM50059236
Wt: 379.9
BDBM50059223
Wt: 365.8
BDBM50059228
Wt: 379.9
BDBM50059230

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50050472,50059236,50059223,50059228,50059230   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50059230
PNG
(1-Benzyl-4-[5-(4-chloro-phenyl)-4-ethyl-1H-pyrazol...)
Show SMILES CCc1c([nH]nc1-c1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H26ClN3/c1-2-21-22(18-8-10-20(24)11-9-18)25-26-23(21)19-12-14-27(15-13-19)16-17-6-4-3-5-7-17/h3-11,19H,2,12-16H2,1H3,(H,25,26)
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1.5n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from human dopamine receptor D4 (hD4) receptor stably expressed in HEK-293 cells.


J Med Chem 40: 2374-85 (1997)


Article DOI: 10.1021/jm970111h
BindingDB Entry DOI: 10.7270/Q2PN94R9
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50059228
PNG
(1-Benzyl-4-[5-(4-chloro-phenyl)-4-methyl-1H-pyrazo...)
Show SMILES Cc1c([nH]nc1-c1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H24ClN3/c1-16-21(18-7-9-20(23)10-8-18)24-25-22(16)19-11-13-26(14-12-19)15-17-5-3-2-4-6-17/h2-10,19H,11-15H2,1H3,(H,24,25)
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1.60n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from human dopamine receptor D4 (hD4) receptor stably expressed in HEK-293 cells.


J Med Chem 40: 2374-85 (1997)


Article DOI: 10.1021/jm970111h
BindingDB Entry DOI: 10.7270/Q2PN94R9
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50050472
PNG
(4-[5-(4-Chloro-phenyl)-1H-pyrazol-3-yl]-1-phenethy...)
Show SMILES Clc1ccc(cc1)-c1cc([nH]n1)C1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C22H24ClN3/c23-20-8-6-18(7-9-20)21-16-22(25-24-21)19-11-14-26(15-12-19)13-10-17-4-2-1-3-5-17/h1-9,16,19H,10-15H2,(H,24,25)
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5.5n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from human dopamine receptor D4 (hD4) receptor stably expressed in HEK-293 cells.


J Med Chem 40: 2374-85 (1997)


Article DOI: 10.1021/jm970111h
BindingDB Entry DOI: 10.7270/Q2PN94R9
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50050472
PNG
(4-[5-(4-Chloro-phenyl)-1H-pyrazol-3-yl]-1-phenethy...)
Show SMILES Clc1ccc(cc1)-c1cc([nH]n1)C1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C22H24ClN3/c23-20-8-6-18(7-9-20)21-16-22(25-24-21)19-11-14-26(15-12-19)13-10-17-4-2-1-3-5-17/h1-9,16,19H,10-15H2,(H,24,25)
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5.5n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity towards human dopamine receptor D4


J Med Chem 44: 477-501 (2001)


Article DOI: 10.1021/jm0002432
BindingDB Entry DOI: 10.7270/Q24Q7VQH
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50050472
PNG
(4-[5-(4-Chloro-phenyl)-1H-pyrazol-3-yl]-1-phenethy...)
Show SMILES Clc1ccc(cc1)-c1cc([nH]n1)C1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C22H24ClN3/c23-20-8-6-18(7-9-20)21-16-22(25-24-21)19-11-14-26(15-12-19)13-10-17-4-2-1-3-5-17/h1-9,16,19H,10-15H2,(H,24,25)
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5.5n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human Dopamine receptor D4 expressed in HEK-293 cells


J Med Chem 39: 1943-5 (1996)


Article DOI: 10.1021/jm960072u
BindingDB Entry DOI: 10.7270/Q2H41QG0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50059230
PNG
(1-Benzyl-4-[5-(4-chloro-phenyl)-4-ethyl-1H-pyrazol...)
Show SMILES CCc1c([nH]nc1-c1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H26ClN3/c1-2-21-22(18-8-10-20(24)11-9-18)25-26-23(21)19-12-14-27(15-13-19)16-17-6-4-3-5-7-17/h3-11,19H,2,12-16H2,1H3,(H,25,26)
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35n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from human dopamine receptor D2 stably expressed in CHO cells.


J Med Chem 40: 2374-85 (1997)


Article DOI: 10.1021/jm970111h
BindingDB Entry DOI: 10.7270/Q2PN94R9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50059230
PNG
(1-Benzyl-4-[5-(4-chloro-phenyl)-4-ethyl-1H-pyrazol...)
Show SMILES CCc1c([nH]nc1-c1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H26ClN3/c1-2-21-22(18-8-10-20(24)11-9-18)25-26-23(21)19-12-14-27(15-13-19)16-17-6-4-3-5-7-17/h3-11,19H,2,12-16H2,1H3,(H,25,26)
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46n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from human dopamine receptor D3 (hD3) receptor stably expressed in HEK-293 cells.


J Med Chem 40: 2374-85 (1997)


Article DOI: 10.1021/jm970111h
BindingDB Entry DOI: 10.7270/Q2PN94R9
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50059223
PNG
(4-[5-(4-Chloro-phenyl)-1H-pyrazol-3-yl]-1-(3-pheny...)
Show SMILES Clc1ccc(cc1)-c1cc([nH]n1)C1CCN(CCCc2ccccc2)CC1
Show InChI InChI=1S/C23H26ClN3/c24-21-10-8-19(9-11-21)22-17-23(26-25-22)20-12-15-27(16-13-20)14-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-11,17,20H,4,7,12-16H2,(H,25,26)
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110n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from human dopamine receptor D4 (hD4) receptor stably expressed in HEK-293 cells.


J Med Chem 40: 2374-85 (1997)


Article DOI: 10.1021/jm970111h
BindingDB Entry DOI: 10.7270/Q2PN94R9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50059228
PNG
(1-Benzyl-4-[5-(4-chloro-phenyl)-4-methyl-1H-pyrazo...)
Show SMILES Cc1c([nH]nc1-c1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H24ClN3/c1-16-21(18-7-9-20(23)10-8-18)24-25-22(16)19-11-13-26(14-12-19)15-17-5-3-2-4-6-17/h2-10,19H,11-15H2,1H3,(H,24,25)
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200n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from human dopamine receptor D2 stably expressed in CHO cells.


J Med Chem 40: 2374-85 (1997)


Article DOI: 10.1021/jm970111h
BindingDB Entry DOI: 10.7270/Q2PN94R9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50059228
PNG
(1-Benzyl-4-[5-(4-chloro-phenyl)-4-methyl-1H-pyrazo...)
Show SMILES Cc1c([nH]nc1-c1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H24ClN3/c1-16-21(18-7-9-20(23)10-8-18)24-25-22(16)19-11-13-26(14-12-19)15-17-5-3-2-4-6-17/h2-10,19H,11-15H2,1H3,(H,24,25)
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430n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from human dopamine receptor D3 (hD3) receptor stably expressed in HEK-293 cells.


J Med Chem 40: 2374-85 (1997)


Article DOI: 10.1021/jm970111h
BindingDB Entry DOI: 10.7270/Q2PN94R9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50050472
PNG
(4-[5-(4-Chloro-phenyl)-1H-pyrazol-3-yl]-1-phenethy...)
Show SMILES Clc1ccc(cc1)-c1cc([nH]n1)C1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C22H24ClN3/c23-20-8-6-18(7-9-20)21-16-22(25-24-21)19-11-14-26(15-12-19)13-10-17-4-2-1-3-5-17/h1-9,16,19H,10-15H2,(H,24,25)
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520n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from human dopamine receptor D2 stably expressed in CHO cells.


J Med Chem 40: 2374-85 (1997)


Article DOI: 10.1021/jm970111h
BindingDB Entry DOI: 10.7270/Q2PN94R9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50050472
PNG
(4-[5-(4-Chloro-phenyl)-1H-pyrazol-3-yl]-1-phenethy...)
Show SMILES Clc1ccc(cc1)-c1cc([nH]n1)C1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C22H24ClN3/c23-20-8-6-18(7-9-20)21-16-22(25-24-21)19-11-14-26(15-12-19)13-10-17-4-2-1-3-5-17/h1-9,16,19H,10-15H2,(H,24,25)
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520n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human Dopamine receptor D2 expressed in CHO cells


J Med Chem 39: 1943-5 (1996)


Article DOI: 10.1021/jm960072u
BindingDB Entry DOI: 10.7270/Q2H41QG0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50059223
PNG
(4-[5-(4-Chloro-phenyl)-1H-pyrazol-3-yl]-1-(3-pheny...)
Show SMILES Clc1ccc(cc1)-c1cc([nH]n1)C1CCN(CCCc2ccccc2)CC1
Show InChI InChI=1S/C23H26ClN3/c24-21-10-8-19(9-11-21)22-17-23(26-25-22)20-12-15-27(16-13-20)14-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-11,17,20H,4,7,12-16H2,(H,25,26)
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560n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from human dopamine receptor D2 stably expressed in CHO cells.


J Med Chem 40: 2374-85 (1997)


Article DOI: 10.1021/jm970111h
BindingDB Entry DOI: 10.7270/Q2PN94R9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50059236
PNG
(4-[5-(4-Chloro-phenyl)-1H-pyrazol-3-yl]-1-methyl-p...)
Show SMILES CN1CCC(CC1)c1cc(n[nH]1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H18ClN3/c1-19-8-6-12(7-9-19)15-10-14(17-18-15)11-2-4-13(16)5-3-11/h2-5,10,12H,6-9H2,1H3,(H,17,18)
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>590n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from human dopamine receptor D2 stably expressed in CHO cells.


J Med Chem 40: 2374-85 (1997)


Article DOI: 10.1021/jm970111h
BindingDB Entry DOI: 10.7270/Q2PN94R9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50059223
PNG
(4-[5-(4-Chloro-phenyl)-1H-pyrazol-3-yl]-1-(3-pheny...)
Show SMILES Clc1ccc(cc1)-c1cc([nH]n1)C1CCN(CCCc2ccccc2)CC1
Show InChI InChI=1S/C23H26ClN3/c24-21-10-8-19(9-11-21)22-17-23(26-25-22)20-12-15-27(16-13-20)14-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-11,17,20H,4,7,12-16H2,(H,25,26)
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870n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from human dopamine receptor D3 (hD3) receptor stably expressed in HEK-293 cells.


J Med Chem 40: 2374-85 (1997)


Article DOI: 10.1021/jm970111h
BindingDB Entry DOI: 10.7270/Q2PN94R9
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50059236
PNG
(4-[5-(4-Chloro-phenyl)-1H-pyrazol-3-yl]-1-methyl-p...)
Show SMILES CN1CCC(CC1)c1cc(n[nH]1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H18ClN3/c1-19-8-6-12(7-9-19)15-10-14(17-18-15)11-2-4-13(16)5-3-11/h2-5,10,12H,6-9H2,1H3,(H,17,18)
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1.20E+3n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from human dopamine receptor D4 (hD4) receptor stably expressed in HEK-293 cells.


J Med Chem 40: 2374-85 (1997)


Article DOI: 10.1021/jm970111h
BindingDB Entry DOI: 10.7270/Q2PN94R9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50059236
PNG
(4-[5-(4-Chloro-phenyl)-1H-pyrazol-3-yl]-1-methyl-p...)
Show SMILES CN1CCC(CC1)c1cc(n[nH]1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H18ClN3/c1-19-8-6-12(7-9-19)15-10-14(17-18-15)11-2-4-13(16)5-3-11/h2-5,10,12H,6-9H2,1H3,(H,17,18)
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>1.90E+3n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from human dopamine receptor D3 (hD3) receptor stably expressed in HEK-293 cells.


J Med Chem 40: 2374-85 (1997)


Article DOI: 10.1021/jm970111h
BindingDB Entry DOI: 10.7270/Q2PN94R9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50050472
PNG
(4-[5-(4-Chloro-phenyl)-1H-pyrazol-3-yl]-1-phenethy...)
Show SMILES Clc1ccc(cc1)-c1cc([nH]n1)C1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C22H24ClN3/c23-20-8-6-18(7-9-20)21-16-22(25-24-21)19-11-14-26(15-12-19)13-10-17-4-2-1-3-5-17/h1-9,16,19H,10-15H2,(H,24,25)
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>4.00E+3n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human Dopamine receptor D3 expressed in CHO cells


J Med Chem 39: 1943-5 (1996)


Article DOI: 10.1021/jm960072u
BindingDB Entry DOI: 10.7270/Q2H41QG0
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50050472
PNG
(4-[5-(4-Chloro-phenyl)-1H-pyrazol-3-yl]-1-phenethy...)
Show SMILES Clc1ccc(cc1)-c1cc([nH]n1)C1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C22H24ClN3/c23-20-8-6-18(7-9-20)21-16-22(25-24-21)19-11-14-26(15-12-19)13-10-17-4-2-1-3-5-17/h1-9,16,19H,10-15H2,(H,24,25)
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>4.00E+3n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from human dopamine receptor D3 (hD3) receptor stably expressed in HEK-293 cells.


J Med Chem 40: 2374-85 (1997)


Article DOI: 10.1021/jm970111h
BindingDB Entry DOI: 10.7270/Q2PN94R9
More data for this
Ligand-Target Pair