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PubMed code 11300876

Compile data set for download or QSAR
Found 47 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
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50098393
PNG
(4-[4-(2-Benzhydryloxy-ethyl)-piperidin-1-ylmethyl]...)
Show SMILES N#Cc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C28H30N2O/c29-21-24-11-13-25(14-12-24)22-30-18-15-23(16-19-30)17-20-31-28(26-7-3-1-4-8-26)27-9-5-2-6-10-27/h1-14,23,28H,15-20,22H2
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n/an/a 3.67n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
In vitro binding affinity at dopamine transporter in rat striatum by [3H]WIN-35428 displacement.

J Med Chem 44: 937-48 (2001)


BindingDB Entry DOI: 10.7270/Q20002SR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50098396
PNG
(Benzhydryl-[2-(1-benzyl-piperidin-4-yl)-ethyl]-ami...)
Show SMILES C(CC1CCN(Cc2ccccc2)CC1)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H32N2/c1-4-10-24(11-5-1)22-29-20-17-23(18-21-29)16-19-28-27(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,23,27-28H,16-22H2
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n/an/a 4.5n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
In vitro binding affinity at dopamine transporter in rat striatum by [3H]WIN-35428 displacement.

J Med Chem 44: 937-48 (2001)


BindingDB Entry DOI: 10.7270/Q20002SR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50098395
PNG
(Benzhydryl-{2-[1-(3,4-difluoro-benzyl)-piperidin-4...)
Show SMILES Fc1ccc(CN2CCC(CCNC(c3ccccc3)c3ccccc3)CC2)cc1F
Show InChI InChI=1S/C27H30F2N2/c28-25-12-11-22(19-26(25)29)20-31-17-14-21(15-18-31)13-16-30-27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-12,19,21,27,30H,13-18,20H2
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n/an/a 7n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
In vitro binding affinity at dopamine transporter in rat striatum by [3H]WIN-35428 displacement.

J Med Chem 44: 937-48 (2001)


BindingDB Entry DOI: 10.7270/Q20002SR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50066414
PNG
(Benzhydryl-{2-[1-(4-fluoro-benzyl)-piperidin-4-yl]...)
Show SMILES Fc1ccc(CN2CCC(CCNC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C27H31FN2/c28-26-13-11-23(12-14-26)21-30-19-16-22(17-20-30)15-18-29-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,22,27,29H,15-21H2
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n/an/a 9.37n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
In vitro binding affinity at dopamine transporter in rat striatum by [3H]WIN-35428 displacement.

J Med Chem 44: 937-48 (2001)


BindingDB Entry DOI: 10.7270/Q20002SR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50098397
PNG
(4-(2-Benzhydryloxy-ethyl)-1-(3,4-difluoro-benzyl)-...)
Show SMILES Fc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1F
Show InChI InChI=1S/C27H29F2NO/c28-25-12-11-22(19-26(25)29)20-30-16-13-21(14-17-30)15-18-31-27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-12,19,21,27H,13-18,20H2
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n/an/a 10.1n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
In vitro binding affinity at dopamine transporter in rat striatum by [3H]WIN-35428 displacement.

J Med Chem 44: 937-48 (2001)


BindingDB Entry DOI: 10.7270/Q20002SR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM22165
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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n/an/a 10.6n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
In vitro binding affinity at dopamine transporter in rat striatum by [3H]WIN-35428 displacement.

J Med Chem 44: 937-48 (2001)


BindingDB Entry DOI: 10.7270/Q20002SR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50055876
PNG
(4-(2-Benzhydryloxy-ethyl)-1-(4-fluoro-benzyl)-pipe...)
Show SMILES Fc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C27H30FNO/c28-26-13-11-23(12-14-26)21-29-18-15-22(16-19-29)17-20-30-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,22,27H,15-21H2
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n/an/a 17.2n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
In vitro binding affinity at dopamine transporter in rat striatum by [3H]WIN-35428 displacement.

J Med Chem 44: 937-48 (2001)


BindingDB Entry DOI: 10.7270/Q20002SR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50098392
PNG
((2,2-Diphenyl-ethyl)-[1-(4-fluoro-benzyl)-piperidi...)
Show SMILES Fc1ccc(CN2CCC(CNCC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C27H31FN2/c28-26-13-11-23(12-14-26)21-30-17-15-22(16-18-30)19-29-20-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,22,27,29H,15-21H2
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n/an/a 19.7n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
In vitro binding affinity at dopamine transporter in rat striatum by [3H]WIN-35428 displacement.

J Med Chem 44: 937-48 (2001)


BindingDB Entry DOI: 10.7270/Q20002SR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50098399
PNG
(4-(2-Benzhydryloxy-ethyl)-1-(3-fluoro-benzyl)-pipe...)
Show SMILES Fc1cccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)c1
Show InChI InChI=1S/C27H30FNO/c28-26-13-7-8-23(20-26)21-29-17-14-22(15-18-29)16-19-30-27(24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-13,20,22,27H,14-19,21H2
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n/an/a 23.4n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
In vitro binding affinity at dopamine transporter in rat striatum by [3H]WIN-35428 displacement.

J Med Chem 44: 937-48 (2001)


BindingDB Entry DOI: 10.7270/Q20002SR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50098394
PNG
(CHEMBL353643 | N-{4-[4-(2-Benzhydryloxy-ethyl)-pip...)
Show SMILES CS(=O)(=O)Nc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C28H34N2O3S/c1-34(31,32)29-27-14-12-24(13-15-27)22-30-19-16-23(17-20-30)18-21-33-28(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-15,23,28-29H,16-22H2,1H3
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n/an/a 26.6n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
In vitro binding affinity at dopamine transporter in rat striatum by [3H]WIN-35428 displacement.

J Med Chem 44: 937-48 (2001)


BindingDB Entry DOI: 10.7270/Q20002SR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50098405
PNG
(4-(2-Benzhydryloxy-ethyl)-1-(4-trifluoromethyl-ben...)
Show SMILES FC(F)(F)c1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C28H30F3NO/c29-28(30,31)26-13-11-23(12-14-26)21-32-18-15-22(16-19-32)17-20-33-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,22,27H,15-21H2
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n/an/a 32.1n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
In vitro binding affinity at dopamine transporter in rat striatum by [3H]WIN-35428 displacement.

J Med Chem 44: 937-48 (2001)


BindingDB Entry DOI: 10.7270/Q20002SR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50098404
PNG
(CHEMBL424005 | O-Benzhydryl-N-[1-(4-fluoro-benzyl)...)
Show SMILES Fc1ccc(CN2CCC(CNOC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C26H29FN2O/c27-25-13-11-22(12-14-25)20-29-17-15-21(16-18-29)19-28-30-26(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,21,26,28H,15-20H2
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n/an/a 34.4n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
In vitro binding affinity at dopamine transporter in rat striatum by [3H]WIN-35428 displacement.

J Med Chem 44: 937-48 (2001)


BindingDB Entry DOI: 10.7270/Q20002SR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50098402
PNG
(CHEMBL173812 | [Bis-(4-fluoro-phenyl)-methyl]-(1-p...)
Show SMILES Fc1ccc(cc1)C(NCC1CCN(CCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C27H30F2N2/c28-25-10-6-23(7-11-25)27(24-8-12-26(29)13-9-24)30-20-22-15-18-31(19-16-22)17-14-21-4-2-1-3-5-21/h1-13,22,27,30H,14-20H2
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n/an/a 65.3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
In vitro binding affinity at dopamine transporter in rat striatum by [3H]WIN-35428 displacement.

J Med Chem 44: 937-48 (2001)


BindingDB Entry DOI: 10.7270/Q20002SR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50098401
PNG
((2,2-Diphenyl-ethyl)-[1-(4-fluoro-benzyl)-piperidi...)
Show SMILES CN(CC(c1ccccc1)c1ccccc1)CC1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C28H33FN2/c1-30(22-28(25-8-4-2-5-9-25)26-10-6-3-7-11-26)20-24-16-18-31(19-17-24)21-23-12-14-27(29)15-13-23/h2-15,24,28H,16-22H2,1H3
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n/an/a 94n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
In vitro binding affinity at dopamine transporter in rat striatum by [3H]WIN-35428 displacement.

J Med Chem 44: 937-48 (2001)


BindingDB Entry DOI: 10.7270/Q20002SR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM22165
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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n/an/a 132n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
In vitro binding affinity at serotonin transporter in rat striatum by [3H]- citalopram displacement.

J Med Chem 44: 937-48 (2001)


BindingDB Entry DOI: 10.7270/Q20002SR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50098392
PNG
((2,2-Diphenyl-ethyl)-[1-(4-fluoro-benzyl)-piperidi...)
Show SMILES Fc1ccc(CN2CCC(CNCC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C27H31FN2/c28-26-13-11-23(12-14-26)21-30-17-15-22(16-18-30)19-29-20-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,22,27,29H,15-21H2
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n/an/a 137n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
In vitro binding affinity at serotonin transporter in rat striatum by [3H]- citalopram displacement.

J Med Chem 44: 937-48 (2001)


BindingDB Entry DOI: 10.7270/Q20002SR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50098398
PNG
(Benzhydryl-{2-[1-(4-fluoro-benzyl)-piperidin-4-yl]...)
Show SMILES CN(CCC1CCN(Cc2ccc(F)cc2)CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H33FN2/c1-30(28(25-8-4-2-5-9-25)26-10-6-3-7-11-26)19-16-23-17-20-31(21-18-23)22-24-12-14-27(29)15-13-24/h2-15,23,28H,16-22H2,1H3
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n/an/a 213n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
In vitro binding affinity at dopamine transporter in rat striatum by [3H]WIN-35428 displacement.

J Med Chem 44: 937-48 (2001)


BindingDB Entry DOI: 10.7270/Q20002SR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
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n/an/a 266n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
In vitro binding affinity at dopamine transporter in rat striatum by [3H]WIN-35428 displacement.

J Med Chem 44: 937-48 (2001)


BindingDB Entry DOI: 10.7270/Q20002SR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50098400
PNG
(CHEMBL369693 | {2-[1-(4-Fluoro-benzyl)-piperidin-4...)
Show SMILES CC(NCCC1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C22H29FN2/c1-18(21-5-3-2-4-6-21)24-14-11-19-12-15-25(16-13-19)17-20-7-9-22(23)10-8-20/h2-10,18-19,24H,11-17H2,1H3
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n/an/a 295n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
In vitro binding affinity at dopamine transporter in rat striatum by [3H]WIN-35428 displacement.

J Med Chem 44: 937-48 (2001)


BindingDB Entry DOI: 10.7270/Q20002SR
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50098393
PNG
(4-[4-(2-Benzhydryloxy-ethyl)-piperidin-1-ylmethyl]...)
Show SMILES N#Cc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C28H30N2O/c29-21-24-11-13-25(14-12-24)22-30-18-15-23(16-19-30)17-20-31-28(26-7-3-1-4-8-26)27-9-5-2-6-10-27/h1-14,23,28H,15-20,22H2
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n/an/a 342n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Affinity at norepinephrine transporter (NET) in rat striatum, using [3H]- nisoxatine as radioligand

J Med Chem 44: 937-48 (2001)


BindingDB Entry DOI: 10.7270/Q20002SR
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM22165
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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n/an/a 496n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Affinity at norepinephrine transporter (NET) in rat striatum, using [3H]- nisoxatine as radioligand

J Med Chem 44: 937-48 (2001)


BindingDB Entry DOI: 10.7270/Q20002SR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50066414
PNG
(Benzhydryl-{2-[1-(4-fluoro-benzyl)-piperidin-4-yl]...)
Show SMILES Fc1ccc(CN2CCC(CCNC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C27H31FN2/c28-26-13-11-23(12-14-26)21-30-19-16-22(17-20-30)15-18-29-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,22,27,29H,15-21H2
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n/an/a 585n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
In vitro binding affinity at serotonin transporter in rat striatum by [3H]- citalopram displacement.

J Med Chem 44: 937-48 (2001)


BindingDB Entry DOI: 10.7270/Q20002SR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50098394
PNG
(CHEMBL353643 | N-{4-[4-(2-Benzhydryloxy-ethyl)-pip...)
Show SMILES CS(=O)(=O)Nc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C28H34N2O3S/c1-34(31,32)29-27-14-12-24(13-15-27)22-30-19-16-23(17-20-30)18-21-33-28(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-15,23,28-29H,16-22H2,1H3
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n/an/a 586n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
In vitro binding affinity at serotonin transporter in rat striatum by [3H]- citalopram displacement.

J Med Chem 44: 937-48 (2001)


BindingDB Entry DOI: 10.7270/Q20002SR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50098404
PNG
(CHEMBL424005 | O-Benzhydryl-N-[1-(4-fluoro-benzyl)...)
Show SMILES Fc1ccc(CN2CCC(CNOC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C26H29FN2O/c27-25-13-11-22(12-14-25)20-29-17-15-21(16-18-29)19-28-30-26(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,21,26,28H,15-20H2
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n/an/a 626n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
In vitro binding affinity at serotonin transporter in rat striatum by [3H]- citalopram displacement.

J Med Chem 44: 937-48 (2001)


BindingDB Entry DOI: 10.7270/Q20002SR
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50098404
PNG
(CHEMBL424005 | O-Benzhydryl-N-[1-(4-fluoro-benzyl)...)
Show SMILES Fc1ccc(CN2CCC(CNOC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C26H29FN2O/c27-25-13-11-22(12-14-25)20-29-17-15-21(16-18-29)19-28-30-26(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,21,26,28H,15-20H2
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n/an/a 691n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Affinity at norepinephrine transporter (NET) in rat striatum, using [3H]- nisoxatine as radioligand

J Med Chem 44: 937-48 (2001)


BindingDB Entry DOI: 10.7270/Q20002SR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
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n/an/a 737n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
In vitro binding affinity at serotonin transporter in rat striatum by [3H]- citalopram displacement.

J Med Chem 44: 937-48 (2001)


BindingDB Entry DOI: 10.7270/Q20002SR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50098403
PNG
(1-(4-Fluoro-benzyl)-4-[2-(1-phenyl-ethoxy)-ethyl]-...)
Show SMILES CC(OCCC1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C22H28FNO/c1-18(21-5-3-2-4-6-21)25-16-13-19-11-14-24(15-12-19)17-20-7-9-22(23)10-8-20/h2-10,18-19H,11-17H2,1H3
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n/an/a 751n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
In vitro binding affinity at dopamine transporter in rat striatum by [3H]WIN-35428 displacement.

J Med Chem 44: 937-48 (2001)


BindingDB Entry DOI: 10.7270/Q20002SR
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50098397
PNG
(4-(2-Benzhydryloxy-ethyl)-1-(3,4-difluoro-benzyl)-...)
Show SMILES Fc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1F
Show InChI InChI=1S/C27H29F2NO/c28-25-12-11-22(19-26(25)29)20-30-16-13-21(14-17-30)15-18-31-27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-12,19,21,27H,13-18,20H2
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n/an/a 921n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Affinity at norepinephrine transporter (NET) in rat striatum, using [3H]- nisoxatine as radioligand

J Med Chem 44: 937-48 (2001)


BindingDB Entry DOI: 10.7270/Q20002SR
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50066414
PNG
(Benzhydryl-{2-[1-(4-fluoro-benzyl)-piperidin-4-yl]...)
Show SMILES Fc1ccc(CN2CCC(CCNC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C27H31FN2/c28-26-13-11-23(12-14-26)21-30-19-16-22(17-20-30)15-18-29-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,22,27,29H,15-21H2
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n/an/a 945n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Affinity at norepinephrine transporter (NET) in rat striatum, using [3H]- nisoxatine as radioligand

J Med Chem 44: 937-48 (2001)


BindingDB Entry DOI: 10.7270/Q20002SR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50098400
PNG
(CHEMBL369693 | {2-[1-(4-Fluoro-benzyl)-piperidin-4...)
Show SMILES CC(NCCC1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C22H29FN2/c1-18(21-5-3-2-4-6-21)24-14-11-19-12-15-25(16-13-19)17-20-7-9-22(23)10-8-20/h2-10,18-19,24H,11-17H2,1H3
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n/an/a 963n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
In vitro binding affinity at serotonin transporter in rat striatum by [3H]- citalopram displacement.

J Med Chem 44: 937-48 (2001)


BindingDB Entry DOI: 10.7270/Q20002SR
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50098395
PNG
(Benzhydryl-{2-[1-(3,4-difluoro-benzyl)-piperidin-4...)
Show SMILES Fc1ccc(CN2CCC(CCNC(c3ccccc3)c3ccccc3)CC2)cc1F
Show InChI InChI=1S/C27H30F2N2/c28-25-12-11-22(19-26(25)29)20-31-17-14-21(15-18-31)13-16-30-27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-12,19,21,27,30H,13-18,20H2
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n/an/a 1.03E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Affinity at norepinephrine transporter (NET) in rat striatum, using [3H]- nisoxatine as radioligand

J Med Chem 44: 937-48 (2001)


BindingDB Entry DOI: 10.7270/Q20002SR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50098402
PNG
(CHEMBL173812 | [Bis-(4-fluoro-phenyl)-methyl]-(1-p...)
Show SMILES Fc1ccc(cc1)C(NCC1CCN(CCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C27H30F2N2/c28-25-10-6-23(7-11-25)27(24-8-12-26(29)13-9-24)30-20-22-15-18-31(19-16-22)17-14-21-4-2-1-3-5-21/h1-13,22,27,30H,14-20H2
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n/an/a 1.10E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
In vitro binding affinity at serotonin transporter in rat striatum by [3H]- citalopram displacement.

J Med Chem 44: 937-48 (2001)


BindingDB Entry DOI: 10.7270/Q20002SR
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50098392
PNG
((2,2-Diphenyl-ethyl)-[1-(4-fluoro-benzyl)-piperidi...)
Show SMILES Fc1ccc(CN2CCC(CNCC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C27H31FN2/c28-26-13-11-23(12-14-26)21-30-17-15-22(16-18-30)19-29-20-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,22,27,29H,15-21H2
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n/an/a 1.11E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Affinity at norepinephrine transporter (NET) in rat striatum, using [3H]- nisoxatine as radioligand

J Med Chem 44: 937-48 (2001)


BindingDB Entry DOI: 10.7270/Q20002SR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50098399
PNG
(4-(2-Benzhydryloxy-ethyl)-1-(3-fluoro-benzyl)-pipe...)
Show SMILES Fc1cccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)c1
Show InChI InChI=1S/C27H30FNO/c28-26-13-7-8-23(20-26)21-29-17-14-22(15-18-29)16-19-30-27(24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-13,20,22,27H,14-19,21H2
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n/an/a 1.15E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
In vitro binding affinity at serotonin transporter in rat striatum by [3H]- citalopram displacement.

J Med Chem 44: 937-48 (2001)


BindingDB Entry DOI: 10.7270/Q20002SR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50098397
PNG
(4-(2-Benzhydryloxy-ethyl)-1-(3,4-difluoro-benzyl)-...)
Show SMILES Fc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1F
Show InChI InChI=1S/C27H29F2NO/c28-25-12-11-22(19-26(25)29)20-30-16-13-21(14-17-30)15-18-31-27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-12,19,21,27H,13-18,20H2
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n/an/a 1.22E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
In vitro binding affinity at serotonin transporter in rat striatum by [3H]- citalopram displacement.

J Med Chem 44: 937-48 (2001)


BindingDB Entry DOI: 10.7270/Q20002SR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50098396
PNG
(Benzhydryl-[2-(1-benzyl-piperidin-4-yl)-ethyl]-ami...)
Show SMILES C(CC1CCN(Cc2ccccc2)CC1)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H32N2/c1-4-10-24(11-5-1)22-29-20-17-23(18-21-29)16-19-28-27(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,23,27-28H,16-22H2
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n/an/a 1.56E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
In vitro binding affinity at serotonin transporter in rat striatum by [3H]- citalopram displacement.

J Med Chem 44: 937-48 (2001)


BindingDB Entry DOI: 10.7270/Q20002SR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50098395
PNG
(Benzhydryl-{2-[1-(3,4-difluoro-benzyl)-piperidin-4...)
Show SMILES Fc1ccc(CN2CCC(CCNC(c3ccccc3)c3ccccc3)CC2)cc1F
Show InChI InChI=1S/C27H30F2N2/c28-25-12-11-22(19-26(25)29)20-31-17-14-21(15-18-31)13-16-30-27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-12,19,21,27,30H,13-18,20H2
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n/an/a 1.59E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
In vitro binding affinity at serotonin transporter in rat striatum by [3H]- citalopram displacement.

J Med Chem 44: 937-48 (2001)


BindingDB Entry DOI: 10.7270/Q20002SR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50098398
PNG
(Benzhydryl-{2-[1-(4-fluoro-benzyl)-piperidin-4-yl]...)
Show SMILES CN(CCC1CCN(Cc2ccc(F)cc2)CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H33FN2/c1-30(28(25-8-4-2-5-9-25)26-10-6-3-7-11-26)19-16-23-17-20-31(21-18-23)22-24-12-14-27(29)15-13-24/h2-15,23,28H,16-22H2,1H3
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n/an/a 1.66E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
In vitro binding affinity at serotonin transporter in rat striatum by [3H]- citalopram displacement.

J Med Chem 44: 937-48 (2001)


BindingDB Entry DOI: 10.7270/Q20002SR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50055876
PNG
(4-(2-Benzhydryloxy-ethyl)-1-(4-fluoro-benzyl)-pipe...)
Show SMILES Fc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C27H30FNO/c28-26-13-11-23(12-14-26)21-29-18-15-22(16-19-29)17-20-30-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,22,27H,15-21H2
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n/an/a 1.92E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
In vitro binding affinity at serotonin transporter in rat striatum by [3H]- citalopram displacement.

J Med Chem 44: 937-48 (2001)


BindingDB Entry DOI: 10.7270/Q20002SR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50098406
PNG
(1-[4-(2-Benzhydryloxy-ethyl)-piperidin-1-yl]-2-phe...)
Show SMILES O=C(Cc1ccccc1)N1CCC(CCOC(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H31NO2/c30-27(22-24-10-4-1-5-11-24)29-19-16-23(17-20-29)18-21-31-28(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,23,28H,16-22H2
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n/an/a 2.16E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
In vitro binding affinity at dopamine transporter in rat striatum by [3H]WIN-35428 displacement.

J Med Chem 44: 937-48 (2001)


BindingDB Entry DOI: 10.7270/Q20002SR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50098405
PNG
(4-(2-Benzhydryloxy-ethyl)-1-(4-trifluoromethyl-ben...)
Show SMILES FC(F)(F)c1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C28H30F3NO/c29-28(30,31)26-13-11-23(12-14-26)21-32-18-15-22(16-19-32)17-20-33-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,22,27H,15-21H2
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n/an/a 2.26E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
In vitro binding affinity at serotonin transporter in rat striatum by [3H]- citalopram displacement.

J Med Chem 44: 937-48 (2001)


BindingDB Entry DOI: 10.7270/Q20002SR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50098393
PNG
(4-[4-(2-Benzhydryloxy-ethyl)-piperidin-1-ylmethyl]...)
Show SMILES N#Cc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C28H30N2O/c29-21-24-11-13-25(14-12-24)22-30-18-15-23(16-19-30)17-20-31-28(26-7-3-1-4-8-26)27-9-5-2-6-10-27/h1-14,23,28H,15-20,22H2
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n/an/a 2.28E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
In vitro binding affinity at serotonin transporter in rat striatum by [3H]- citalopram displacement.

J Med Chem 44: 937-48 (2001)


BindingDB Entry DOI: 10.7270/Q20002SR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50098401
PNG
((2,2-Diphenyl-ethyl)-[1-(4-fluoro-benzyl)-piperidi...)
Show SMILES CN(CC(c1ccccc1)c1ccccc1)CC1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C28H33FN2/c1-30(22-28(25-8-4-2-5-9-25)26-10-6-3-7-11-26)20-24-16-18-31(19-17-24)21-23-12-14-27(29)15-13-23/h2-15,24,28H,16-22H2,1H3
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n/an/a 2.52E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
In vitro binding affinity at serotonin transporter in rat striatum by [3H]- citalopram displacement.

J Med Chem 44: 937-48 (2001)


BindingDB Entry DOI: 10.7270/Q20002SR
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50098396
PNG
(Benzhydryl-[2-(1-benzyl-piperidin-4-yl)-ethyl]-ami...)
Show SMILES C(CC1CCN(Cc2ccccc2)CC1)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H32N2/c1-4-10-24(11-5-1)22-29-20-17-23(18-21-29)16-19-28-27(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,23,27-28H,16-22H2
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UniProtKB/TrEMBL

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n/an/a 2.62E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Affinity at norepinephrine transporter (NET) in rat striatum, using [3H]- nisoxatine as radioligand

J Med Chem 44: 937-48 (2001)


BindingDB Entry DOI: 10.7270/Q20002SR
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
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n/an/a 3.53E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Affinity at norepinephrine transporter (NET) in rat striatum, using [3H]- nisoxatine as radioligand

J Med Chem 44: 937-48 (2001)


BindingDB Entry DOI: 10.7270/Q20002SR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50098403
PNG
(1-(4-Fluoro-benzyl)-4-[2-(1-phenyl-ethoxy)-ethyl]-...)
Show SMILES CC(OCCC1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C22H28FNO/c1-18(21-5-3-2-4-6-21)25-16-13-19-11-14-24(15-12-19)17-20-7-9-22(23)10-8-20/h2-10,18-19H,11-17H2,1H3
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n/an/a 5.86E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
In vitro binding affinity at serotonin transporter in rat striatum by [3H]- citalopram displacement.

J Med Chem 44: 937-48 (2001)


BindingDB Entry DOI: 10.7270/Q20002SR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50098406
PNG
(1-[4-(2-Benzhydryloxy-ethyl)-piperidin-1-yl]-2-phe...)
Show SMILES O=C(Cc1ccccc1)N1CCC(CCOC(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H31NO2/c30-27(22-24-10-4-1-5-11-24)29-19-16-23(17-20-29)18-21-31-28(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,23,28H,16-22H2
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n/an/a 1.32E+4n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
In vitro binding affinity at serotonin transporter in rat striatum by [3H]- citalopram displacement.

J Med Chem 44: 937-48 (2001)


BindingDB Entry DOI: 10.7270/Q20002SR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%