Found 33 hits of ic50 data for polymerid = 50006294 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Solute carrier family 22 member 3
(Homo sapiens (Human)) | BDBM50420232
(CHEMBL2074900)Show InChI InChI=1S/C16H16ClN/c1-18(11-10-17)16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16H,10-11H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.25 uM) in OCT3-expressing HEK293 cells |
Br J Pharmacol 136: 829-36 (2002)
Article DOI: 10.1038/sj.bjp.0704785 BindingDB Entry DOI: 10.7270/Q29Z9656 |
More data for this Ligand-Target Pair | |
Solute carrier family 22 member 3
(Homo sapiens (Human)) | BDBM39687
((2E)-1-ethyl-2-[(1-ethyl-2-quinolin-1-iumyl)methyl...)Show SMILES CCN1\C(=C\c2ccc3ccccc3[n+]2CC)C=Cc2ccccc12 |c:19| Show InChI InChI=1S/C23H23N2/c1-3-24-20(15-13-18-9-5-7-11-22(18)24)17-21-16-14-19-10-6-8-12-23(19)25(21)4-2/h5-17H,3-4H2,1-2H3/q+1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.25 uM) in OCT3-expressing HEK293 cells |
Br J Pharmacol 136: 829-36 (2002)
Article DOI: 10.1038/sj.bjp.0704785 BindingDB Entry DOI: 10.7270/Q29Z9656 |
More data for this Ligand-Target Pair | |
Solute carrier family 22 member 3
(Homo sapiens (Human)) | BDBM50170653
((11beta)-11,21-dihydroxypregn-4-ene-3,20-dione | 1...)Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO |r,t:9| Show InChI InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.25 uM) in OCT3-expressing HEK293 cells |
Br J Pharmacol 136: 829-36 (2002)
Article DOI: 10.1038/sj.bjp.0704785 BindingDB Entry DOI: 10.7270/Q29Z9656 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Solute carrier family 22 member 3
(Homo sapiens (Human)) | BDBM50170723
(1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide...)Show SMILES NC(NC(N)=Nc1ccc(Cl)cc1)=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1 |w:13.14,20.20,23.23,5.5| Show InChI InChI=1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human OCT3-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay |
J Med Chem 56: 781-95 (2013)
Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ |
More data for this Ligand-Target Pair | |
Solute carrier family 22 member 3
(Homo sapiens (Human)) | BDBM50261064
(CHEMBL4100146)Show InChI InChI=1S/C7H8IN3/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4H,(H4,9,10,11) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutics, School of Pharmacy, Virginia Commonwealth University, Richmond, VA 23298, USA.
Curated by ChEMBL
| Assay Description Inhibition of OCT3 (unknown origin) |
Bioorg Med Chem Lett 27: 4440-4445 (2017)
Article DOI: 10.1016/j.bmcl.2017.08.008 BindingDB Entry DOI: 10.7270/Q24M970C |
More data for this Ligand-Target Pair | |
Solute carrier family 22 member 3
(Homo sapiens (Human)) | BDBM50420192
(CHEMBL2074851)Show SMILES CC[n+]1c(CC2C=C(C)N=C(N2C)c2ccccc2)ccc2ccccc12 |c:9,t:6| Show InChI InChI=1S/C24H26N3/c1-4-27-21(15-14-19-10-8-9-13-23(19)27)17-22-16-18(2)25-24(26(22)3)20-11-6-5-7-12-20/h5-16,22H,4,17H2,1-3H3/q+1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| n/a | n/a | 1.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Porto
Curated by ChEMBL
| Assay Description TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.2 uM) in OCT3-expressing HEK293 cells |
Naunyn Schmiedebergs Arch Pharmacol 363: 40-9 (2001)
BindingDB Entry DOI: 10.7270/Q2GQ702R |
More data for this Ligand-Target Pair | |
Solute carrier family 22 member 3
(Homo sapiens (Human)) | BDBM50261048
(CHEMBL4062501)Show SMILES [#6]C([#6])([#6])c1ccc(cc1)\[#7]=[#6](\[#7])-[#7] Show InChI InChI=1S/C11H17N3/c1-11(2,3)8-4-6-9(7-5-8)14-10(12)13/h4-7H,1-3H3,(H4,12,13,14) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutics, School of Pharmacy, Virginia Commonwealth University, Richmond, VA 23298, USA.
Curated by ChEMBL
| Assay Description Inhibition of OCT3 (unknown origin) |
Bioorg Med Chem Lett 27: 4440-4445 (2017)
Article DOI: 10.1016/j.bmcl.2017.08.008 BindingDB Entry DOI: 10.7270/Q24M970C |
More data for this Ligand-Target Pair | |
Solute carrier family 22 member 3
(Homo sapiens (Human)) | BDBM50053590
(1N-amino(immino)methyl-4-chloroaniline | CHEMBL410...)Show InChI InChI=1S/C7H8ClN3/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4H,(H4,9,10,11) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
Similars
| Article PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutics, School of Pharmacy, Virginia Commonwealth University, Richmond, VA 23298, USA.
Curated by ChEMBL
| Assay Description Inhibition of OCT3 (unknown origin) |
Bioorg Med Chem Lett 27: 4440-4445 (2017)
Article DOI: 10.1016/j.bmcl.2017.08.008 BindingDB Entry DOI: 10.7270/Q24M970C |
More data for this Ligand-Target Pair | |
Solute carrier family 22 member 3
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 2.88E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.25 uM) in OCT3-expressing HEK293 cells |
Br J Pharmacol 136: 829-36 (2002)
Article DOI: 10.1038/sj.bjp.0704785 BindingDB Entry DOI: 10.7270/Q29Z9656 |
More data for this Ligand-Target Pair | |
Solute carrier family 22 member 3
(Homo sapiens (Human)) | BDBM8903
((1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltet...)Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:20| Show InChI InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| DrugBank Article PubMed
| n/a | n/a | 4.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.25 uM) in OCT3-expressing HEK293 cells |
Br J Pharmacol 136: 829-36 (2002)
Article DOI: 10.1038/sj.bjp.0704785 BindingDB Entry DOI: 10.7270/Q29Z9656 |
More data for this Ligand-Target Pair | |
Solute carrier family 22 member 3
(Homo sapiens (Human)) | BDBM50420217
(METIPRENALINE)Show InChI InChI=1S/C12H19NO3/c1-8(2)13-7-11(15)9-4-5-10(14)12(6-9)16-3/h4-6,8,11,13-15H,7H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.25 uM) in OCT3-expressing HEK293 cells |
Br J Pharmacol 136: 829-36 (2002)
Article DOI: 10.1038/sj.bjp.0704785 BindingDB Entry DOI: 10.7270/Q29Z9656 |
More data for this Ligand-Target Pair | |
Solute carrier family 22 member 3
(Homo sapiens (Human)) | BDBM50100962
(1N-amino(immino)methyl-4-methylaniline | CHEMBL434...)Show InChI InChI=1S/C8H11N3/c1-6-2-4-7(5-3-6)11-8(9)10/h2-5H,1H3,(H4,9,10,11) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutics, School of Pharmacy, Virginia Commonwealth University, Richmond, VA 23298, USA.
Curated by ChEMBL
| Assay Description Inhibition of OCT3 (unknown origin) |
Bioorg Med Chem Lett 27: 4440-4445 (2017)
Article DOI: 10.1016/j.bmcl.2017.08.008 BindingDB Entry DOI: 10.7270/Q24M970C |
More data for this Ligand-Target Pair | |
Solute carrier family 22 member 3
(Homo sapiens (Human)) | BDBM50261063
(CHEMBL1160763)Show InChI InChI=1S/C7H8BrN3/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4H,(H4,9,10,11) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutics, School of Pharmacy, Virginia Commonwealth University, Richmond, VA 23298, USA.
Curated by ChEMBL
| Assay Description Inhibition of OCT3 (unknown origin) |
Bioorg Med Chem Lett 27: 4440-4445 (2017)
Article DOI: 10.1016/j.bmcl.2017.08.008 BindingDB Entry DOI: 10.7270/Q24M970C |
More data for this Ligand-Target Pair | |
Solute carrier family 22 member 3
(Homo sapiens (Human)) | BDBM36880
(2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...)Show InChI InChI=1S/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H | PDB
Reactome pathway KEGG
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DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human OCT3-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay |
J Med Chem 56: 781-95 (2013)
Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ |
More data for this Ligand-Target Pair | |
Solute carrier family 22 member 3
(Homo sapiens (Human)) | BDBM50017679
(Benzyl-(2-chloro-ethyl)-(1-methyl-2-phenoxy-ethyl)...)Show InChI InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
| DrugBank Article PubMed
| n/a | n/a | 6.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.25 uM) in OCT3-expressing HEK293 cells |
Br J Pharmacol 136: 829-36 (2002)
Article DOI: 10.1038/sj.bjp.0704785 BindingDB Entry DOI: 10.7270/Q29Z9656 |
More data for this Ligand-Target Pair | |
Solute carrier family 22 member 3
(Homo sapiens (Human)) | BDBM50053608
(1N-amino(immino)methyl-3-chloroaniline | CHEMBL138...)Show InChI InChI=1S/C7H8ClN3/c8-5-2-1-3-6(4-5)11-7(9)10/h1-4H,(H4,9,10,11) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutics, School of Pharmacy, Virginia Commonwealth University, Richmond, VA 23298, USA.
Curated by ChEMBL
| Assay Description Inhibition of OCT3 (unknown origin) |
Bioorg Med Chem Lett 27: 4440-4445 (2017)
Article DOI: 10.1016/j.bmcl.2017.08.008 BindingDB Entry DOI: 10.7270/Q24M970C |
More data for this Ligand-Target Pair | |
Solute carrier family 22 member 3
(Homo sapiens (Human)) | BDBM45440
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23) | PDB
Reactome pathway KEGG
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 9.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human OCT3-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay |
J Med Chem 56: 781-95 (2013)
Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ |
More data for this Ligand-Target Pair | |
Solute carrier family 22 member 3
(Homo sapiens (Human)) | BDBM50036754
((1Z)-N'-(aminosulfonyl)-3-[({2-[(diaminomethylene)...)Show SMILES [#7]\[#6](-[#7])=[#7]/c1nc(-[#6]-[#16]-[#6]-[#6]-[#6](=[#7])-[#7]S([#7])(=O)=O)cs1 Show InChI InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14) | PDB
Reactome pathway KEGG
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CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human OCT3-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay |
J Med Chem 56: 781-95 (2013)
Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ |
More data for this Ligand-Target Pair | |
Solute carrier family 22 member 3
(Homo sapiens (Human)) | BDBM29568
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22) | PDB
Reactome pathway KEGG
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 1.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.25 uM) in OCT3-expressing HEK293 cells |
Br J Pharmacol 136: 829-36 (2002)
Article DOI: 10.1038/sj.bjp.0704785 BindingDB Entry DOI: 10.7270/Q29Z9656 |
More data for this Ligand-Target Pair | |
Solute carrier family 22 member 3
(Homo sapiens (Human)) | BDBM85330
(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)Show InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 1.74E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human OCT3-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay |
J Med Chem 56: 781-95 (2013)
Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ |
More data for this Ligand-Target Pair | |
Solute carrier family 22 member 3
(Homo sapiens (Human)) | BDBM13530
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.55E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human OCT3-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay |
J Med Chem 56: 781-95 (2013)
Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ |
More data for this Ligand-Target Pair | |
Solute carrier family 22 member 3
(Homo sapiens (Human)) | BDBM50261065
(CHEMBL1160766)Show InChI InChI=1S/C7H8FN3/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4H,(H4,9,10,11) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.78E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutics, School of Pharmacy, Virginia Commonwealth University, Richmond, VA 23298, USA.
Curated by ChEMBL
| Assay Description Inhibition of OCT3 (unknown origin) |
Bioorg Med Chem Lett 27: 4440-4445 (2017)
Article DOI: 10.1016/j.bmcl.2017.08.008 BindingDB Entry DOI: 10.7270/Q24M970C |
More data for this Ligand-Target Pair | |
Solute carrier family 22 member 3
(Homo sapiens (Human)) | BDBM67690
(1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...)Show SMILES OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12 Show InChI InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 6.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human OCT3-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay |
J Med Chem 56: 781-95 (2013)
Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ |
More data for this Ligand-Target Pair | |
Solute carrier family 22 member 3
(Homo sapiens (Human)) | BDBM50128267
((4S)-4,11-DIETHYL-4-HYDROXY-3,14-DIOXO-3,4,12,14-T...)Show SMILES CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12 |r| Show InChI InChI=1S/C33H38N4O6/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3/t33-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 7.46E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human OCT3-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay |
J Med Chem 56: 781-95 (2013)
Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ |
More data for this Ligand-Target Pair | |
Solute carrier family 22 member 3
(Homo sapiens (Human)) | BDBM50016897
(2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...)Show SMILES Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1 Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| n/a | n/a | 7.93E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Porto
Curated by ChEMBL
| Assay Description TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.2 uM) in OCT3-expressing HEK293 cells |
Naunyn Schmiedebergs Arch Pharmacol 363: 40-9 (2001)
BindingDB Entry DOI: 10.7270/Q2GQ702R |
More data for this Ligand-Target Pair | |
Solute carrier family 22 member 3
(Homo sapiens (Human)) | BDBM50053620
(1-phenylguanidine | 1N-amino(immino)methylaniline ...)Show InChI InChI=1S/C7H9N3/c8-7(9)10-6-4-2-1-3-5-6/h1-5H,(H4,8,9,10) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 9.98E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutics, School of Pharmacy, Virginia Commonwealth University, Richmond, VA 23298, USA.
Curated by ChEMBL
| Assay Description Inhibition of OCT3 (unknown origin) |
Bioorg Med Chem Lett 27: 4440-4445 (2017)
Article DOI: 10.1016/j.bmcl.2017.08.008 BindingDB Entry DOI: 10.7270/Q24M970C |
More data for this Ligand-Target Pair | |
Solute carrier family 22 member 3
(Homo sapiens (Human)) | BDBM50241342
(5-(difluoromethoxy)-2-((3,4-dimethoxypyridin-2-yl)...)Show SMILES COc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1OC Show InChI InChI=1S/C16H15F2N3O4S/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.37E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human OCT3-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay |
J Med Chem 56: 781-95 (2013)
Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ |
More data for this Ligand-Target Pair | |
Solute carrier family 22 member 3
(Homo sapiens (Human)) | BDBM50151866
(6-(2-{(2-Hydroxy-ethyl)-[3-(4-nitro-phenyl)-propyl...)Show SMILES Cn1c(NCCN(CCO)CCCc2ccc(cc2)[N+]([O-])=O)cc(=O)n(C)c1=O Show InChI InChI=1S/C19H27N5O5/c1-21-17(14-18(26)22(2)19(21)27)20-9-11-23(12-13-25)10-3-4-15-5-7-16(8-6-15)24(28)29/h5-8,14,20,25H,3-4,9-13H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 1.46E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human OCT3-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay |
J Med Chem 56: 781-95 (2013)
Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ |
More data for this Ligand-Target Pair | |
Solute carrier family 22 member 3
(Homo sapiens (Human)) | BDBM520
(1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[...)Show SMILES CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1 |r| Show InChI InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human OCT3-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay |
J Med Chem 56: 781-95 (2013)
Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ |
More data for this Ligand-Target Pair | |
Solute carrier family 22 member 3
(Homo sapiens (Human)) | BDBM50261049
(CHEMBL272259 | N-(4-Benzylphenyl)Guanidine)Show InChI InChI=1S/C14H15N3/c15-14(16)17-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2,(H4,15,16,17) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.53E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutics, School of Pharmacy, Virginia Commonwealth University, Richmond, VA 23298, USA.
Curated by ChEMBL
| Assay Description Inhibition of OCT3 (unknown origin) |
Bioorg Med Chem Lett 27: 4440-4445 (2017)
Article DOI: 10.1016/j.bmcl.2017.08.008 BindingDB Entry DOI: 10.7270/Q24M970C |
More data for this Ligand-Target Pair | |
Solute carrier family 22 member 3
(Homo sapiens (Human)) | BDBM517
((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human OCT3-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay |
J Med Chem 56: 781-95 (2013)
Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ |
More data for this Ligand-Target Pair | |
Solute carrier family 22 member 3
(Homo sapiens (Human)) | BDBM50420178
(GUANIDINE) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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DrugBank MCE MMDB PC cid PC sid PDB UniChem
| DrugBank Article PubMed
| n/a | n/a | 2.20E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutics, School of Pharmacy, Virginia Commonwealth University, Richmond, VA 23298, USA.
Curated by ChEMBL
| Assay Description Inhibition of OCT3 (unknown origin) |
Bioorg Med Chem Lett 27: 4440-4445 (2017)
Article DOI: 10.1016/j.bmcl.2017.08.008 BindingDB Entry DOI: 10.7270/Q24M970C |
More data for this Ligand-Target Pair | |
Solute carrier family 22 member 3
(Homo sapiens (Human)) | BDBM50149890
(CHEMBL9324 | tetraethylammonium)Show InChI InChI=1S/C8H20N/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3/q+1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank KEGG MMDB PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.03E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade do Porto
Curated by ChEMBL
| Assay Description TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.2 uM) in OCT3-expressing HEK293 cells |
Naunyn Schmiedebergs Arch Pharmacol 363: 40-9 (2001)
BindingDB Entry DOI: 10.7270/Q2GQ702R |
More data for this Ligand-Target Pair | |