Found 15 hits Enz. Inhib. hit(s) with all data for entry = 5276 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM21397
(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) | PDB
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| Article
PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Texas
Curated by PDSP Ki Database
| |
Synapse 38: 438-49 (2000)
Article DOI: 10.1002/1098-2396(20001215)38:4
BindingDB Entry DOI: 10.7270/Q2SN07HX |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50008735
((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34 Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1 | PDB
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PC sid
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| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Texas
Curated by PDSP Ki Database
| |
Synapse 38: 438-49 (2000)
Article DOI: 10.1002/1098-2396(20001215)38:4
BindingDB Entry DOI: 10.7270/Q2SN07HX |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50241107
(1-(3-(4-(5-chloro-2-oxo-2,3-dihydrobenzo[d]imidazo...)Show SMILES Clc1ccc2n(C3CCN(CCCn4c5ccccc5[nH]c4=O)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30) | PDB
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| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Texas
Curated by PDSP Ki Database
| |
Synapse 38: 438-49 (2000)
Article DOI: 10.1002/1098-2396(20001215)38:4
BindingDB Entry DOI: 10.7270/Q2SN07HX |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM78433
(2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]pro...)Show SMILES OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2 | PDB
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| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Texas
Curated by PDSP Ki Database
| |
Synapse 38: 438-49 (2000)
Article DOI: 10.1002/1098-2396(20001215)38:4
BindingDB Entry DOI: 10.7270/Q2SN07HX |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM79172
(2-[4-[(3Z)-3-[2-(trifluoromethyl)-9-thioxanthenyli...)Show SMILES OCCN1CCN(CC\C=C2\c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5- | PDB
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| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Texas
Curated by PDSP Ki Database
| |
Synapse 38: 438-49 (2000)
Article DOI: 10.1002/1098-2396(20001215)38:4
BindingDB Entry DOI: 10.7270/Q2SN07HX |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM79181
(10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoro...)Show SMILES CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3 | PDB
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| 0.410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Texas
Curated by PDSP Ki Database
| |
Synapse 38: 438-49 (2000)
Article DOI: 10.1002/1098-2396(20001215)38:4
BindingDB Entry DOI: 10.7270/Q2SN07HX |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM21398
(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 | PDB
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| 0.440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Texas
Curated by PDSP Ki Database
| |
Synapse 38: 438-49 (2000)
Article DOI: 10.1002/1098-2396(20001215)38:4
BindingDB Entry DOI: 10.7270/Q2SN07HX |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50132693
(4-Amino-N-(1-benzyl-piperidin-4-yl)-5-chloro-2-met...)Show InChI InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25) | PDB
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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Texas
Curated by PDSP Ki Database
| |
Synapse 38: 438-49 (2000)
Article DOI: 10.1002/1098-2396(20001215)38:4
BindingDB Entry DOI: 10.7270/Q2SN07HX |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50002338
((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...)Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3 | PDB
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| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Texas
Curated by PDSP Ki Database
| |
Synapse 38: 438-49 (2000)
Article DOI: 10.1002/1098-2396(20001215)38:4
BindingDB Entry DOI: 10.7270/Q2SN07HX |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM22869
(6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...)Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15| 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/h2-7,12,21H,8-11H2,1H3 | PDB
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| 88 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Texas
Curated by PDSP Ki Database
| |
Synapse 38: 438-49 (2000)
Article DOI: 10.1002/1098-2396(20001215)38:4
BindingDB Entry DOI: 10.7270/Q2SN07HX |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM82247
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1 | PDB
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| 569 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Texas
Curated by PDSP Ki Database
| |
Synapse 38: 438-49 (2000)
Article DOI: 10.1002/1098-2396(20001215)38:4
BindingDB Entry DOI: 10.7270/Q2SN07HX |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM31046
(3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...)Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19) | PDB
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| 1.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Texas
Curated by PDSP Ki Database
| |
Synapse 38: 438-49 (2000)
Article DOI: 10.1002/1098-2396(20001215)38:4
BindingDB Entry DOI: 10.7270/Q2SN07HX |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM21395
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1 Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29) | PDB
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| 2.71E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Texas
Curated by PDSP Ki Database
| |
Synapse 38: 438-49 (2000)
Article DOI: 10.1002/1098-2396(20001215)38:4
BindingDB Entry DOI: 10.7270/Q2SN07HX |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM25761
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Texas
Curated by PDSP Ki Database
| |
Synapse 38: 438-49 (2000)
Article DOI: 10.1002/1098-2396(20001215)38:4
BindingDB Entry DOI: 10.7270/Q2SN07HX |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50019443
(1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol ...)Show InChI InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Texas
Curated by PDSP Ki Database
| |
Synapse 38: 438-49 (2000)
Article DOI: 10.1002/1098-2396(20001215)38:4
BindingDB Entry DOI: 10.7270/Q2SN07HX |
More data for this
Ligand-Target Pair | |
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