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Compile Data Set for Download or QSAR

Found 5037 hits with Last Name = 'taylor' and Initial = 'm'   
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 receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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0.0600n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting method


J Med Chem 60: 9905-9910 (2017)

More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50349871
PNG
(CHEMBL1813595)
Show SMILES FCCOc1ccccc1N1CCN(CCCCOc2ccc3ccc(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C25H30FN3O3/c26-11-18-32-24-6-2-1-5-23(24)29-15-13-28(14-16-29)12-3-4-17-31-21-9-7-20-8-10-25(30)27-22(20)19-21/h1-2,5-10,19H,3-4,11-18H2,(H,27,30)
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0.0700n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human recombinant D2L receptor expressed in HEK cells after 60 mins by gamma counter


Bioorg Med Chem 19: 3502-11 (2011)


Article DOI: 10.1016/j.bmc.2011.04.021
BindingDB Entry DOI: 10.7270/Q25X2990
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50045284
PNG
(2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...)
Show SMILES CC[C@H](C)CNC(=O)C(F)(F)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C34H53F2N5O7S/c1-4-12-27(38-32(44)29(22-26-15-10-7-11-16-26)40-49(46,47)41-17-19-48-20-18-41)31(43)39-28(21-25-13-8-6-9-14-25)30(42)34(35,36)33(45)37-23-24(3)5-2/h4,7,10-11,15-16,24-25,27-30,40,42H,1,5-6,8-9,12-14,17-23H2,2-3H3,(H,37,45)(H,38,44)(H,39,43)/t24-,27-,28-,29-,30+/m0/s1
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0.100n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin E


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50045281
PNG
(2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...)
Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C32H52N4O7S/c1-4-11-26(31(39)34-27(20-24-12-7-5-8-13-24)30(38)22-29(37)23(2)3)33-32(40)28(21-25-14-9-6-10-15-25)35-44(41,42)36-16-18-43-19-17-36/h4,6,9-10,14-15,23-24,26-30,35,37-38H,1,5,7-8,11-13,16-22H2,2-3H3,(H,33,40)(H,34,39)/t26-,27-,28-,29-,30-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin D


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
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0.100n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 621-9 (1997)


Article DOI: 10.1016/s0028-3908(97)00049-x
BindingDB Entry DOI: 10.7270/Q2NV9GSN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM30704
PNG
((phenylmethyl) N-[[(6aR,9S,10aR)-4,7-dimethyl-6,6a...)
Show SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1cn(C)c3cccc2c13
Show InChI InChI=1S/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29)/t18-,21+,23+/m0/s1
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0.120n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 621-9 (1997)


Article DOI: 10.1016/s0028-3908(97)00049-x
BindingDB Entry DOI: 10.7270/Q2NV9GSN
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50349870
PNG
(CHEMBL1813594)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc3ccc(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C24H29N3O3/c1-29-23-7-3-2-6-22(23)27-15-13-26(14-16-27)12-4-5-17-30-20-10-8-19-9-11-24(28)25-21(19)18-20/h2-3,6-11,18H,4-5,12-17H2,1H3,(H,25,28)
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0.140n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human recombinant D2L receptor expressed in HEK cells after 60 mins by gamma counter


Bioorg Med Chem 19: 3502-11 (2011)


Article DOI: 10.1016/j.bmc.2011.04.021
BindingDB Entry DOI: 10.7270/Q25X2990
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50339685
PNG
(4-(Thiophen-3-yl)-N-(4-(4-(2-(2-fluoroethoxy)pheny...)
Show SMILES FCCOc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1
Show InChI InChI=1S/C27H32FN3O2S/c28-12-19-33-26-6-2-1-5-25(26)31-17-15-30(16-18-31)14-4-3-13-29-27(32)23-9-7-22(8-10-23)24-11-20-34-21-24/h1-2,5-11,20-21H,3-4,12-19H2,(H,29,32)
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0.170n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]-IABN from human D3 receptor transfected in human HEK 293 cells by gamma-counting


J Med Chem 54: 1555-64 (2011)


Article DOI: 10.1021/jm101323b
BindingDB Entry DOI: 10.7270/Q2WD40W0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM30704
PNG
((phenylmethyl) N-[[(6aR,9S,10aR)-4,7-dimethyl-6,6a...)
Show SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1cn(C)c3cccc2c13
Show InChI InChI=1S/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29)/t18-,21+,23+/m0/s1
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0.180n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 621-9 (1997)


Article DOI: 10.1016/s0028-3908(97)00049-x
BindingDB Entry DOI: 10.7270/Q2NV9GSN
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM30704
PNG
((phenylmethyl) N-[[(6aR,9S,10aR)-4,7-dimethyl-6,6a...)
Show SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1cn(C)c3cccc2c13
Show InChI InChI=1S/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29)/t18-,21+,23+/m0/s1
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0.180n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 621-9 (1997)


Article DOI: 10.1016/s0028-3908(97)00049-x
BindingDB Entry DOI: 10.7270/Q2NV9GSN
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50119386
PNG
(Benzo[b]thiophene-2-carboxylic acid {4-[4-(2-metho...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1
Show InChI InChI=1S/C24H29N3O2S/c1-29-21-10-4-3-9-20(21)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-5-11-22(19)30-23/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,28)
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0.190n/an/an/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50250803
PNG
(CHEMBL4083252)
Show SMILES COc1ccccc1N1CCN(CCCSc2nnc(-c3ccccc3)n2C)CC1
Show InChI InChI=1S/C23H29N5OS/c1-26-22(19-9-4-3-5-10-19)24-25-23(26)30-18-8-13-27-14-16-28(17-15-27)20-11-6-7-12-21(20)29-2/h3-7,9-12H,8,13-18H2,1-2H3
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0.220n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes after 60 mins by scintillation counting method


J Med Chem 60: 9905-9910 (2017)

More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50349866
PNG
(CHEMBL160296 | CHEMBL1813590 | UNC10108016 | US915...)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc3CCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C24H31N3O3/c1-29-23-7-3-2-6-22(23)27-15-13-26(14-16-27)12-4-5-17-30-20-10-8-19-9-11-24(28)25-21(19)18-20/h2-3,6-8,10,18H,4-5,9,11-17H2,1H3,(H,25,28)
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0.220n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human recombinant D2L receptor expressed in HEK cells after 60 mins by gamma counter


Bioorg Med Chem 19: 3502-11 (2011)


Article DOI: 10.1016/j.bmc.2011.04.021
BindingDB Entry DOI: 10.7270/Q25X2990
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
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0.25n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 621-9 (1997)


Article DOI: 10.1016/s0028-3908(97)00049-x
BindingDB Entry DOI: 10.7270/Q2NV9GSN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES Cc1nc2sccn2c(=O)c1CCN1CCC(CC1)=C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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0.25n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 621-9 (1997)


Article DOI: 10.1016/s0028-3908(97)00049-x
BindingDB Entry DOI: 10.7270/Q2NV9GSN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES Cc1nc2sccn2c(=O)c1CCN1CCC(CC1)=C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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0.25n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 621-9 (1997)


Article DOI: 10.1016/s0028-3908(97)00049-x
BindingDB Entry DOI: 10.7270/Q2NV9GSN
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50349867
PNG
(CHEMBL1813591)
Show SMILES FCCOc1ccccc1N1CCN(CCCCOc2ccc3CCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C25H32FN3O3/c26-11-18-32-24-6-2-1-5-23(24)29-15-13-28(14-16-29)12-3-4-17-31-21-9-7-20-8-10-25(30)27-22(20)19-21/h1-2,5-7,9,19H,3-4,8,10-18H2,(H,27,30)
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0.260n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human recombinant D2L receptor expressed in HEK cells after 60 mins by gamma counter


Bioorg Med Chem 19: 3502-11 (2011)


Article DOI: 10.1016/j.bmc.2011.04.021
BindingDB Entry DOI: 10.7270/Q25X2990
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50378001
PNG
(CHEMBL1627321 | US8748608, 36)
Show SMILES OC(CCN1CCN(CC1)c1cccc(Cl)c1Cl)CNC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C23H26Cl2N4O2/c24-18-5-3-7-21(22(18)25)29-12-10-28(11-13-29)9-8-17(30)15-26-23(31)20-14-16-4-1-2-6-19(16)27-20/h1-7,14,17,27,30H,8-13,15H2,(H,26,31)
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0.260n/an/an/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES Cc1nc2sccn2c(=O)c1CCN1CCC(CC1)=C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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0.290n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 621-9 (1997)


Article DOI: 10.1016/s0028-3908(97)00049-x
BindingDB Entry DOI: 10.7270/Q2NV9GSN
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50178623
PNG
(CHEMBL110365 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc-3c(Cc4ccccc-34)c2)CC1
Show InChI InChI=1S/C29H33N3O2/c1-34-28-11-5-4-10-27(28)32-18-16-31(17-19-32)15-7-6-14-30-29(33)23-12-13-26-24(21-23)20-22-8-2-3-9-25(22)26/h2-5,8-13,21H,6-7,14-20H2,1H3,(H,30,33)
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0.300n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 50: 4135-46 (2007)


Article DOI: 10.1021/jm0704200
BindingDB Entry DOI: 10.7270/Q2WW7HDW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50057761
PNG
(CHEMBL3322994)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cn4ccccc4n3)CC2)c1Cl
Show InChI InChI=1S/C22H25Cl2N5O/c23-17-6-5-7-19(21(17)24)28-14-12-27(13-15-28)10-4-2-9-25-22(30)18-16-29-11-3-1-8-20(29)26-18/h1,3,5-8,11,16H,2,4,9-10,12-15H2,(H,25,30)
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0.300n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting method


J Med Chem 57: 7042-60 (2014)


Article DOI: 10.1021/jm500801r
BindingDB Entry DOI: 10.7270/Q27D2WSR
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50161235
PNG
(CHEMBL179351 | N-{4-[4-(2,3-Dichloro-phenyl)-piper...)
Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccc(cc3)-c3ncc[nH]3)CC2)c1Cl
Show InChI InChI=1S/C24H25Cl2N5O/c25-20-4-3-5-21(22(20)26)31-16-14-30(15-17-31)13-2-1-10-29-24(32)19-8-6-18(7-9-19)23-27-11-12-28-23/h1-9,11-12H,10,13-17H2,(H,27,28)(H,29,32)/b2-1+
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0.300n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine D3 receptor


J Med Chem 48: 839-48 (2005)


Article DOI: 10.1021/jm049465g
BindingDB Entry DOI: 10.7270/Q27H1J4R
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50131922
PNG
(1H-Indole-2-carboxylic acid {4-[4-(2-methoxy-pheny...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C24H30N4O2/c1-30-23-11-5-4-10-22(23)28-16-14-27(15-17-28)13-7-6-12-25-24(29)21-18-19-8-2-3-9-20(19)26-21/h2-5,8-11,18,26H,6-7,12-17H2,1H3,(H,25,29)
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0.320n/an/an/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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0.330n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D3 receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting method


J Med Chem 60: 9905-9910 (2017)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50253620
PNG
(CHEMBL523328 | endo-8-(Benzofur-3-ylmethyl)-3-(3,4...)
Show SMILES OC1(CC2CCC(C1)N2Cc1coc2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H21Cl2NO2/c23-19-8-5-15(9-20(19)24)22(26)10-16-6-7-17(11-22)25(16)12-14-13-27-21-4-2-1-3-18(14)21/h1-5,8-9,13,16-17,26H,6-7,10-12H2
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0.340n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
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0.340n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 621-9 (1997)


Article DOI: 10.1016/s0028-3908(97)00049-x
BindingDB Entry DOI: 10.7270/Q2NV9GSN
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50253638
PNG
(CHEMBL518816 | endo-8-(5-Fluorobenzofur-3-ylmethyl...)
Show SMILES OC1(CC2CCC(C1)N2Cc1coc2ccc(F)cc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H21ClFNO2/c23-16-3-1-15(2-4-16)22(26)10-18-6-7-19(11-22)25(18)12-14-13-27-21-8-5-17(24)9-20(14)21/h1-5,8-9,13,18-19,26H,6-7,10-12H2
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0.370n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM81441
PNG
(CDK Inhibitor, 14)
Show SMILES Cc1c(sc(=O)n1C)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1
Show InChI InChI=1S/C19H22N6OS/c1-13-17(27-19(26)24(13)2)16-7-8-21-18(23-16)22-14-3-5-15(6-4-14)25-11-9-20-10-12-25/h3-8,20H,9-12H2,1-2H3,(H,21,22,23)
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0.400n/an/an/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged CDK9/cyclin T1 expressed in baculovirus infected sf9 cells using (biotinyl-Ahx-(Tyr-Ser-ProThr-Ser-Pro-Ser...


J Med Chem 59: 8667-8684 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00150
BindingDB Entry DOI: 10.7270/Q2G73GP8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50219103
PNG
(CHEMBL241973 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccccn2)CC1
Show InChI InChI=1S/C27H32N4O2/c1-33-26-10-3-2-9-25(26)31-20-18-30(19-21-31)17-7-6-16-29-27(32)23-13-11-22(12-14-23)24-8-4-5-15-28-24/h2-5,8-15H,6-7,16-21H2,1H3,(H,29,32)
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0.400n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 50: 4135-46 (2007)


Article DOI: 10.1021/jm0704200
BindingDB Entry DOI: 10.7270/Q2WW7HDW
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50045290
PNG
(2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...)
Show SMILES CC[C@H](C)CNC(=O)C(F)(F)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C34H51F2N5O7S/c1-4-12-27(38-32(44)29(22-26-15-10-7-11-16-26)40-49(46,47)41-17-19-48-20-18-41)31(43)39-28(21-25-13-8-6-9-14-25)30(42)34(35,36)33(45)37-23-24(3)5-2/h4,7,10-11,15-16,24-25,27-29,40H,1,5-6,8-9,12-14,17-23H2,2-3H3,(H,37,45)(H,38,44)(H,39,43)/t24-,27-,28-,29-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin D


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50161217
PNG
(CHEMBL195057 | N-{4-[4-(2,3-Dichloro-phenyl)-piper...)
Show SMILES Oc1ccc(cc1)C(=O)NC\C=C\CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C21H23Cl2N3O2/c22-18-4-3-5-19(20(18)23)26-14-12-25(13-15-26)11-2-1-10-24-21(28)16-6-8-17(27)9-7-16/h1-9,27H,10-15H2,(H,24,28)/b2-1+
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0.400n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine D3 receptor


J Med Chem 48: 839-48 (2005)


Article DOI: 10.1021/jm049465g
BindingDB Entry DOI: 10.7270/Q27H1J4R
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50129426
PNG
(CHEMBL69451 | N-(4-(4-(2,3-dichlorophenyl)piperazi...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc(cc3)-c3ccccn3)CC2)c1Cl
Show InChI InChI=1S/C26H28Cl2N4O/c27-22-6-5-8-24(25(22)28)32-18-16-31(17-19-32)15-4-3-14-30-26(33)21-11-9-20(10-12-21)23-7-1-2-13-29-23/h1-2,5-13H,3-4,14-19H2,(H,30,33)
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0.400n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 50: 4135-46 (2007)


Article DOI: 10.1021/jm0704200
BindingDB Entry DOI: 10.7270/Q2WW7HDW
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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0.420n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 621-9 (1997)


Article DOI: 10.1016/s0028-3908(97)00049-x
BindingDB Entry DOI: 10.7270/Q2NV9GSN
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50378019
PNG
(CHEMBL1627323)
Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl
Show InChI InChI=1S/C23H24Cl2N4O/c24-18-7-5-9-21(22(18)25)29-14-12-28(13-15-29)11-4-3-10-26-23(30)20-16-17-6-1-2-8-19(17)27-20/h1-9,16,27H,10-15H2,(H,26,30)/b4-3+
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0.440n/an/an/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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0.450n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D4 receptor (unknown origin)


J Med Chem 60: 9905-9910 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50017721
PNG
(1-Methyl-4-(5H-dibenzo(a,d)cycloheptenylidene)pipe...)
Show SMILES CN1CCC(CC1)=C1c2ccccc2C=Cc2ccccc12
Show InChI InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3
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0.460n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 621-9 (1997)


Article DOI: 10.1016/s0028-3908(97)00049-x
BindingDB Entry DOI: 10.7270/Q2NV9GSN
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50219111
PNG
(CHEMBL390253 | N-(4-(4-(2,3-dichlorophenyl)piperaz...)
Show SMILES OC(CCN1CCN(CC1)c1cccc(Cl)c1Cl)CNC(=O)c1ccc(cc1)-c1ccccn1
Show InChI InChI=1S/C26H28Cl2N4O2/c27-22-4-3-6-24(25(22)28)32-16-14-31(15-17-32)13-11-21(33)18-30-26(34)20-9-7-19(8-10-20)23-5-1-2-12-29-23/h1-10,12,21,33H,11,13-18H2,(H,30,34)
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0.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 50: 4135-46 (2007)


Article DOI: 10.1021/jm0704200
BindingDB Entry DOI: 10.7270/Q2WW7HDW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50161238
PNG
(CHEMBL179960 | N-{4-[4-(2,3-Dichloro-phenyl)-piper...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc(cc3)-c3cccnc3)CC2)c1Cl
Show InChI InChI=1S/C26H28Cl2N4O/c27-23-6-3-7-24(25(23)28)32-17-15-31(16-18-32)14-2-1-13-30-26(33)21-10-8-20(9-11-21)22-5-4-12-29-19-22/h3-12,19H,1-2,13-18H2,(H,30,33)
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0.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine D3 receptor


J Med Chem 48: 839-48 (2005)


Article DOI: 10.1021/jm049465g
BindingDB Entry DOI: 10.7270/Q27H1J4R
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50045290
PNG
(2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...)
Show SMILES CC[C@H](C)CNC(=O)C(F)(F)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C34H51F2N5O7S/c1-4-12-27(38-32(44)29(22-26-15-10-7-11-16-26)40-49(46,47)41-17-19-48-20-18-41)31(43)39-28(21-25-13-8-6-9-14-25)30(42)34(35,36)33(45)37-23-24(3)5-2/h4,7,10-11,15-16,24-25,27-29,40H,1,5-6,8-9,12-14,17-23H2,2-3H3,(H,37,45)(H,38,44)(H,39,43)/t24-,27-,28-,29-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin E


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50008139
PNG
(2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...)
Show SMILES FC(F)(C(=O)NCCN1CCOCC1)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C35H52F2N6O8S/c1-2-9-28(39-33(46)30(25-27-12-7-4-8-13-27)41-52(48,49)43-18-22-51-23-19-43)32(45)40-29(24-26-10-5-3-6-11-26)31(44)35(36,37)34(47)38-14-15-42-16-20-50-21-17-42/h2,4,7-8,12-13,26,28-30,41H,1,3,5-6,9-11,14-25H2,(H,38,47)(H,39,46)(H,40,45)/t28-,29-,30-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin E


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50129426
PNG
(CHEMBL69451 | N-(4-(4-(2,3-dichlorophenyl)piperazi...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc(cc3)-c3ccccn3)CC2)c1Cl
Show InChI InChI=1S/C26H28Cl2N4O/c27-22-6-5-8-24(25(22)28)32-18-16-31(17-19-32)15-4-3-14-30-26(33)21-11-9-20(10-12-21)23-7-1-2-13-29-23/h1-2,5-13H,3-4,14-19H2,(H,30,33)
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0.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine D3 receptor


J Med Chem 48: 839-48 (2005)


Article DOI: 10.1021/jm049465g
BindingDB Entry DOI: 10.7270/Q27H1J4R
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM82087
PNG
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)
Show SMILES COc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
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0.510n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 621-9 (1997)


Article DOI: 10.1016/s0028-3908(97)00049-x
BindingDB Entry DOI: 10.7270/Q2NV9GSN
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50378018
PNG
(CHEMBL1627322 | US8748608, 37)
Show SMILES COc1ccccc1N1CCN(CCC(O)CNC(=O)c2cc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C24H30N4O3/c1-31-23-9-5-4-8-22(23)28-14-12-27(13-15-28)11-10-19(29)17-25-24(30)21-16-18-6-2-3-7-20(18)26-21/h2-9,16,19,26,29H,10-15,17H2,1H3,(H,25,30)
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0.510n/an/an/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50322239
PNG
(1-(Benzofuran-3-ylmethyl)-4-(4-iodophenyl)piperidi...)
Show SMILES OC1(CCN(Cc2coc3ccccc23)CC1)c1ccc(I)cc1
Show InChI InChI=1S/C20H20INO2/c21-17-7-5-16(6-8-17)20(23)9-11-22(12-10-20)13-15-14-24-19-4-2-1-3-18(15)19/h1-8,14,23H,9-13H2
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0.510n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 1 hr by liquid scintillation counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50339686
PNG
(4-(2-Fluoroethoxy)-N-(4-(4-(2-(2-fluoroethoxy)phen...)
Show SMILES FCCOc1ccc(cc1)C(=O)NCCCCN1CCN(CC1)c1ccccc1OCCF
Show InChI InChI=1S/C25H33F2N3O3/c26-11-19-32-22-9-7-21(8-10-22)25(31)28-13-3-4-14-29-15-17-30(18-16-29)23-5-1-2-6-24(23)33-20-12-27/h1-2,5-10H,3-4,11-20H2,(H,28,31)
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0.520n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]-IABN from human D3 receptor transfected in human HEK 293 cells by gamma-counting


J Med Chem 54: 1555-64 (2011)


Article DOI: 10.1021/jm101323b
BindingDB Entry DOI: 10.7270/Q2WD40W0
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50129425
PNG
(5-Fluoro-1H-indole-2-carboxylic acid {4-[4-(2,3-di...)
Show SMILES Fc1ccc2[nH]c(cc2c1)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C23H25Cl2FN4O/c24-18-4-3-5-21(22(18)25)30-12-10-29(11-13-30)9-2-1-8-27-23(31)20-15-16-14-17(26)6-7-19(16)28-20/h3-7,14-15,28H,1-2,8-13H2,(H,27,31)
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0.520n/an/an/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50253664
PNG
(CHEMBL518037 | endo-8-(5-Fluorobenzofur-3-ylmethyl...)
Show SMILES OC1(CC2CCC(C1)N2Cc1coc2ccc(F)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H20Cl2FNO2/c23-19-5-1-14(7-20(19)24)22(27)9-16-3-4-17(10-22)26(16)11-13-12-28-21-6-2-15(25)8-18(13)21/h1-2,5-8,12,16-17,27H,3-4,9-11H2
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0.530n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50322240
PNG
(1-(Benzofuran-3-ylmethyl)-4-(4-bromophenyl)piperid...)
Show SMILES OC1(CCN(Cc2coc3ccccc23)CC1)c1ccc(Br)cc1
Show InChI InChI=1S/C20H20BrNO2/c21-17-7-5-16(6-8-17)20(23)9-11-22(12-10-20)13-15-14-24-19-4-2-1-3-18(15)19/h1-8,14,23H,9-13H2
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0.590n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 1 hr by liquid scintillation counting


Bioorg Med Chem 18: 5291-300 (2010)


Article DOI: 10.1016/j.bmc.2010.05.052
BindingDB Entry DOI: 10.7270/Q298880H
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50219117
PNG
(CHEMBL244562 | N-(4-(4-(2,3-dichlorophenyl)piperaz...)
Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccc(cc3)-c3cccc(=O)[nH]3)CC2)c1Cl
Show InChI InChI=1S/C26H26Cl2N4O2/c27-21-5-3-7-23(25(21)28)32-17-15-31(16-18-32)14-2-1-13-29-26(34)20-11-9-19(10-12-20)22-6-4-8-24(33)30-22/h1-12H,13-18H2,(H,29,34)(H,30,33)/b2-1+
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0.600n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 50: 4135-46 (2007)


Article DOI: 10.1021/jm0704200
BindingDB Entry DOI: 10.7270/Q2WW7HDW
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50045285
PNG
(2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...)
Show SMILES O[C@@H](C[C@H](O)C1SCCCS1)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C33H52N4O7S3/c1-2-10-26(34-32(41)28(22-25-13-7-4-8-14-25)36-47(42,43)37-15-17-44-18-16-37)31(40)35-27(21-24-11-5-3-6-12-24)29(38)23-30(39)33-45-19-9-20-46-33/h2,4,7-8,13-14,24,26-30,33,36,38-39H,1,3,5-6,9-12,15-23H2,(H,34,41)(H,35,40)/t26-,27-,28-,29-,30-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin D


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
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