Found 68 hits with Last Name = 'arifi' and Initial = 's' 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 |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50348176
(CHEMBL1562432)Show SMILES CC[C@@H]1Cn2c(N1)c1nc(nc1n(C)c2=O)-c1cc(Cl)cc(Cl)c1Cl Show InChI InChI=1S/C16H14Cl3N5O/c1-3-8-6-24-15(20-8)12-14(23(2)16(24)25)22-13(21-12)9-4-7(17)5-10(18)11(9)19/h4-5,8,20H,3,6H2,1-2H3/t8-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.433 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
J. Uriach & Cía, S.A.
Curated by ChEMBL
| Assay Description Antagonistic activity of guinea pig Histamine H2 receptor expressed as pA2 at pH 7.4 |
J Med Chem 40: 547-58 (1997)
Article DOI: 10.1021/jm9604383 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM21173
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
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Similars
| Article PubMed
| 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
J. Uriach & Cía, S.A.
Curated by ChEMBL
| Assay Description Antagonist activity against beta-1 adrenergic receptor in isolated guinea pig atria |
J Med Chem 40: 547-58 (1997)
Article DOI: 10.1021/jm9604383 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50058235
(8-(3-Oxa-tricyclo[3.2.1.0*2,4*]oct-6-yl)-1,3-dipro...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC2CC1C1OC21 |THB:6:17:22.24:20,23:22:20:17.18,23:24:20:17.18| Show InChI InChI=1S/C18H24N4O3/c1-3-5-21-16-12(17(23)22(6-4-2)18(21)24)19-15(20-16)11-8-9-7-10(11)14-13(9)25-14/h9-11,13-14H,3-8H2,1-2H3,(H,19,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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| Article PubMed
| 0.950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
J. Uriach & Cía, S.A.
Curated by ChEMBL
| Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Escherichia coli |
J Med Chem 40: 547-58 (1997)
Article DOI: 10.1021/jm9604383 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50003019
(8-(Hexahydro-2,5-methano-pentalen-3a-yl)-1,3-dipro...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC1CC(C2)C3 |THB:22:21:18:24.23.25,22:23:18:21.20| Show InChI InChI=1S/C20H28N4O2/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12/h12-14H,3-11H2,1-2H3,(H,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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| Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
J. Uriach & Cía, S.A.
Curated by ChEMBL
| Assay Description Antagonist activity against beta-1 adrenergic receptor in isolated guinea pig atria |
J Med Chem 40: 547-58 (1997)
Article DOI: 10.1021/jm9604383 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50086173
(CHEMBL17002 | N-(4-Acetyl-phenyl)-2-[4-(2,6-dioxo-...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(C)=O)cc1 Show InChI InChI=1S/C27H29N5O5/c1-4-14-31-25-23(26(35)32(15-5-2)27(31)36)29-24(30-25)19-8-12-21(13-9-19)37-16-22(34)28-20-10-6-18(7-11-20)17(3)33/h6-13H,4-5,14-16H2,1-3H3,(H,28,34)(H,29,30) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
J. Uriach & Cía, S.A.
Curated by ChEMBL
| Assay Description Antagonistic activity of guinea pig Histamine H2 receptor expressed as pA2 at pH 7.8 |
J Med Chem 40: 547-58 (1997)
Article DOI: 10.1021/jm9604383 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50086170
((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
J. Uriach & Cía, S.A.
Curated by ChEMBL
| Assay Description Antagonistic activity against Histamine H2 receptor expressed as the charge of receptor sensitivity was determined at pH 7.8 |
J Med Chem 40: 547-58 (1997)
Article DOI: 10.1021/jm9604383 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50116370
(1-Benzyl-3-propyl-1H-1,3,4b,9-tetraaza-fluorene-2,...)Show InChI InChI=1S/C19H18N4O2/c1-2-11-22-18(24)16-17(20-15-10-6-7-12-21(15)16)23(19(22)25)13-14-8-4-3-5-9-14/h3-10,12H,2,11,13H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
J. Uriach & Cía, S.A.
Curated by ChEMBL
| Assay Description Antagonistic activity against Histamine H2 receptor expressed as the charge of receptor sensitivity was determined at pH 7.0 |
J Med Chem 40: 547-58 (1997)
Article DOI: 10.1021/jm9604383 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50233086
(8-(1-((5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl)met...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C20H17ClN8O3/c1-2-7-29-19(30)15-17(26-20(29)31)25-16(24-15)12-8-22-28(9-12)10-14-23-18(32-27-14)11-3-5-13(21)6-4-11/h3-6,8-9H,2,7,10H2,1H3,(H,24,25)(H,26,31) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
J. Uriach & Cía, S.A.
Curated by ChEMBL
| Assay Description Antagonist activity against beta-1 adrenergic receptor in isolated guinea pig atria |
J Med Chem 40: 547-58 (1997)
Article DOI: 10.1021/jm9604383 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50020986
(CHEMBL11002 | N-(2-Dimethylamino-ethyl)-4-(2,6-dio...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)NCCN(C)C Show InChI InChI=1S/C21H30N6O4S/c1-5-12-26-19-17(20(28)27(13-6-2)21(26)29)23-18(24-19)15-7-9-16(10-8-15)32(30,31)22-11-14-25(3)4/h7-10,22H,5-6,11-14H2,1-4H3,(H,23,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
J. Uriach & Cía, S.A.
Curated by ChEMBL
| Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Escherichia coli |
J Med Chem 40: 547-58 (1997)
Article DOI: 10.1021/jm9604383 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50227339
(CHEMBL158077)Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(N)=O)cc1O Show InChI InChI=1S/C19H23N5O5/c1-3-7-23-17-15(18(27)24(8-4-2)19(23)28)21-16(22-17)12-6-5-11(9-13(12)25)29-10-14(20)26/h5-6,9,25H,3-4,7-8,10H2,1-2H3,(H2,20,26)(H,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
J. Uriach & Cía, S.A.
Curated by ChEMBL
| Assay Description Antagonist activity against beta-1 adrenergic receptor in isolated guinea pig atria |
J Med Chem 40: 547-58 (1997)
Article DOI: 10.1021/jm9604383 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50391223
(CHEMBL355370)Show SMILES Nc1ncc(OCc2ccc(OCCCCN3C(=O)c4ccccc4C3=O)cc2)c(N)n1 Show InChI InChI=1S/C23H23N5O4/c24-20-19(13-26-23(25)27-20)32-14-15-7-9-16(10-8-15)31-12-4-3-11-28-21(29)17-5-1-2-6-18(17)22(28)30/h1-2,5-10,13H,3-4,11-12,14H2,(H4,24,25,26,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
J. Uriach & Cía, S.A.
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated... |
J Med Chem 40: 547-58 (1997)
Article DOI: 10.1021/jm9604383 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50391227
(CHEMBL273671)Show InChI InChI=1S/C14H18N4/c1-10-12(13(15)18-14(16)17-10)9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3,(H4,15,16,17,18) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
J. Uriach & Cía, S.A.
Curated by ChEMBL
| Assay Description Antagonist activity against beta-1 adrenergic receptor in isolated guinea pig atria |
J Med Chem 40: 547-58 (1997)
Article DOI: 10.1021/jm9604383 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50042209
(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O Show InChI InChI=1S/C14H14N4O5S/c1-2-7-18-13(19)10-12(17-14(18)20)16-11(15-10)8-3-5-9(6-4-8)24(21,22)23/h3-6H,2,7H2,1H3,(H,15,16)(H,17,20)(H,21,22,23) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
J. Uriach & Cía, S.A.
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against beta-2 adrenergic receptor was measured by the inhibition of isoproterenol-induced relaxation of PGF2-alpha cont... |
J Med Chem 40: 547-58 (1997)
Article DOI: 10.1021/jm9604383 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50037429
(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)Show SMILES Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C16H15ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
J. Uriach & Cía, S.A.
Curated by ChEMBL
| Assay Description Antagonist activity against beta-1 adrenergic receptor in isolated guinea pig atria |
J Med Chem 40: 547-58 (1997)
Article DOI: 10.1021/jm9604383 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50118811
(5-(1,3-Dibutyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-...)Show SMILES CCCCn1c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC)c2c(=O)n(CCCC)c1=O Show InChI InChI=1S/C19H29N5O6/c1-4-6-8-22-15-11(17(28)23(19(22)29)9-7-5-2)24(10-21-15)18-13(26)12(25)14(30-18)16(27)20-3/h10,12-14,18,25-26H,4-9H2,1-3H3,(H,20,27)/t12-,13+,14-,18+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 229 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
J. Uriach & Cía, S.A.
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated... |
J Med Chem 40: 547-58 (1997)
Article DOI: 10.1021/jm9604383 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50018159
(4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...)Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C14H12N4O4/c1-17-11-9(12(19)18(2)14(17)22)15-10(16-11)7-3-5-8(6-4-7)13(20)21/h3-6H,1-2H3,(H,15,16)(H,20,21) | PDB
Reactome pathway KEGG
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| Article PubMed
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
J. Uriach & Cía, S.A.
Curated by ChEMBL
| Assay Description Antagonist activity against beta-1 adrenergic receptor in isolated guinea pig atria |
J Med Chem 40: 547-58 (1997)
Article DOI: 10.1021/jm9604383 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50391228
(8-(P-Sulfophenyl)Theophylline | 8-(P-Sulfophenyl)T...)Show SMILES COc1ccc(Cc2cnc(N)nc2N)cc1OCCCCN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C24H25N5O4/c1-32-19-9-8-15(12-16-14-27-24(26)28-21(16)25)13-20(19)33-11-5-4-10-29-22(30)17-6-2-3-7-18(17)23(29)31/h2-3,6-9,13-14H,4-5,10-12H2,1H3,(H4,25,26,27,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
J. Uriach & Cía, S.A.
Curated by ChEMBL
| Assay Description Antagonist activity against beta-1 adrenergic receptor in isolated guinea pig atria |
J Med Chem 40: 547-58 (1997)
Article DOI: 10.1021/jm9604383 |
More data for this Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50014260
(3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | 3,7...)Show InChI InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13) | MMDB
KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
J. Uriach & Cía, S.A.
Curated by ChEMBL
| Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from chicken liver |
J Med Chem 40: 547-58 (1997)
Article DOI: 10.1021/jm9604383 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50014260
(3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | 3,7...)Show InChI InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
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| Article PubMed
| 1.03E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
J. Uriach & Cía, S.A.
Curated by ChEMBL
| Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from chicken liver |
J Med Chem 40: 547-58 (1997)
Article DOI: 10.1021/jm9604383 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50014260
(3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | 3,7...)Show InChI InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13) | PDB
Reactome pathway KEGG
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| DrugBank Article PubMed
| 1.05E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
J. Uriach & Cía, S.A.
Curated by ChEMBL
| Assay Description Ability to inhibit U-46,619-induced contraction of isolated strips of rabbit thoracic aorta, which is the measure of thromboxane receptor antagonism |
J Med Chem 40: 547-58 (1997)
Article DOI: 10.1021/jm9604383 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50014260
(3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | 3,7...)Show InChI InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| >2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
J. Uriach & Cía, S.A.
Curated by ChEMBL
| Assay Description Ability to inhibit U-46,619-induced contraction of isolated strips of guinea pig tracheal chain, which is the measure of thromboxane receptor antagon... |
J Med Chem 40: 547-58 (1997)
Article DOI: 10.1021/jm9604383 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50391224
(8-PHENYL THEOPHYLLINE | 8-PT | 8-Phenyl-1,3-dimeth...)Show InChI InChI=1S/C12H14N4/c13-11-10(8-15-12(14)16-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H4,13,14,15,16) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
J. Uriach & Cía, S.A.
Curated by ChEMBL
| Assay Description Antagonist activity against beta-1 adrenergic receptor in isolated guinea pig atria |
J Med Chem 40: 547-58 (1997)
Article DOI: 10.1021/jm9604383 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50391225
(CHEMBL11348)Show InChI InChI=1S/C12H12N4/c13-11-10(8-15-12(14)16-11)7-6-9-4-2-1-3-5-9/h1-8H,(H4,13,14,15,16)/b7-6+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
J. Uriach & Cía, S.A.
Curated by ChEMBL
| Assay Description Antagonist activity against beta-1 adrenergic receptor in isolated guinea pig atria |
J Med Chem 40: 547-58 (1997)
Article DOI: 10.1021/jm9604383 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM10849
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 9.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
J. Uriach & Cía, S.A.
Curated by ChEMBL
| Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Escherichia coli |
J Med Chem 40: 547-58 (1997)
Article DOI: 10.1021/jm9604383 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM10849
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.04E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
J. Uriach & Cía, S.A.
Curated by ChEMBL
| Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Escherichia coli |
J Med Chem 40: 547-58 (1997)
Article DOI: 10.1021/jm9604383 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM10849
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 1.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
J. Uriach & Cía, S.A.
Curated by ChEMBL
| Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Escherichia coli |
J Med Chem 40: 547-58 (1997)
Article DOI: 10.1021/jm9604383 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM10849
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.33E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
J. Uriach & Cía, S.A.
Curated by ChEMBL
| Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from chicken liver |
J Med Chem 40: 547-58 (1997)
Article DOI: 10.1021/jm9604383 |
More data for this Ligand-Target Pair | |
Palmitoleoyl-protein carboxylesterase NOTUM
(Homo sapiens (Human)) | BDBM10849
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
J. Uriach & Cía, S.A.
Curated by ChEMBL
| Assay Description Cardioselectivity for the beta-1 adrenergic receptor was determined against isoprenaline (antagonism) in isolated guinea pig trachea |
J Med Chem 40: 547-58 (1997)
Article DOI: 10.1021/jm9604383 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50014260
(3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | 3,7...)Show InChI InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13) | MMDB
KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
J. Uriach & Cía, S.A.
Curated by ChEMBL
| Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Escherichia coli |
J Med Chem 40: 547-58 (1997)
Article DOI: 10.1021/jm9604383 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50014260
(3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | 3,7...)Show InChI InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
J. Uriach & Cía, S.A.
Curated by ChEMBL
| Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Escherichia coli |
J Med Chem 40: 547-58 (1997)
Article DOI: 10.1021/jm9604383 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50014260
(3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | 3,7...)Show InChI InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 1.05E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
J. Uriach & Cía, S.A.
Curated by ChEMBL
| Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Escherichia coli |
J Med Chem 40: 547-58 (1997)
Article DOI: 10.1021/jm9604383 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50014260
(3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | 3,7...)Show InChI InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
J. Uriach & Cía, S.A.
Curated by ChEMBL
| Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from chicken liver |
J Med Chem 40: 547-58 (1997)
Article DOI: 10.1021/jm9604383 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50014260
(3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | 3,7...)Show InChI InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | >2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
J. Uriach & Cía, S.A.
Curated by ChEMBL
| Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Escherichia coli |
J Med Chem 40: 547-58 (1997)
Article DOI: 10.1021/jm9604383 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50301375
(3,3',5,5'-tetraiodo-L-thyronine | 3,5,3',5'-tetrai...)Show SMILES N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O |r| Show InChI InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a |
Goethe-University Frankfurt
Curated by ChEMBL
| Assay Description Agonist activity at recombinant human pFA-CMV fused PPARgamma expressed in HEK293T cells transfected with pFR-luciferase plasmid and pRL-SV40 plasmid... |
J Med Chem 63: 6727-6740 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02150 BindingDB Entry DOI: 10.7270/Q23N26ZW |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM18860
((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |r| Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 5.80E+3 | n/a | n/a | n/a | n/a |
Goethe-University Frankfurt
Curated by ChEMBL
| Assay Description Agonist activity at recombinant human pFA-CMV fused PPARgamma expressed in HEK293T cells transfected with pFR-luciferase plasmid and pRL-SV40 plasmid... |
J Med Chem 63: 6727-6740 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02150 BindingDB Entry DOI: 10.7270/Q23N26ZW |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50103763
(CHEBI:11684 | REVERSE TRIIODOTHYRONINE | Reverse T...)Show SMILES N[C@@H](Cc1ccc(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O |r| Show InChI InChI=1S/C15H12I3NO4/c16-9-3-7(4-12(19)15(21)22)1-2-13(9)23-8-5-10(17)14(20)11(18)6-8/h1-3,5-6,12,20H,4,19H2,(H,21,22)/t12-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a |
Goethe-University Frankfurt
Curated by ChEMBL
| Assay Description Agonist activity at recombinant human pFA-CMV fused PPARgamma expressed in HEK293T cells transfected with pFR-luciferase plasmid and pRL-SV40 plasmid... |
J Med Chem 63: 6727-6740 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02150 BindingDB Entry DOI: 10.7270/Q23N26ZW |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM398043
(US10322118, Entry 1)Show InChI InChI=1S/C14H8I4O4/c15-8-4-7(5-9(16)13(8)21)22-14-10(17)1-6(2-11(14)18)3-12(19)20/h1-2,4-5,21H,3H2,(H,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
Goethe-University Frankfurt
Curated by ChEMBL
| Assay Description Agonist activity at recombinant human pFA-CMV fused PPARgamma expressed in HEK293T cells transfected with pFR-luciferase plasmid and pRL-SV40 plasmid... |
J Med Chem 63: 6727-6740 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02150 BindingDB Entry DOI: 10.7270/Q23N26ZW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM18862
(2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]ac...)Show InChI InChI=1S/C14H9I3O4/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20/h1-4,6,18H,5H2,(H,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
| Article PubMed
| n/a | n/a | n/a | n/a | 370 | n/a | n/a | n/a | n/a |
Goethe-University Frankfurt
Curated by ChEMBL
| Assay Description Agonist activity at recombinant human pFA-CMV fused PPARgamma expressed in HEK293T cells transfected with pFR-luciferase plasmid and pRL-SV40 plasmid... |
J Med Chem 63: 6727-6740 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02150 BindingDB Entry DOI: 10.7270/Q23N26ZW |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50301375
(3,3',5,5'-tetraiodo-L-thyronine | 3,5,3',5'-tetrai...)Show SMILES N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O |r| Show InChI InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a |
Goethe-University Frankfurt
Curated by ChEMBL
| Assay Description Binding affinity to recombinant PPARgamma LBD (unknown origin) by isothermal titration calorimetry |
J Med Chem 63: 6727-6740 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02150 BindingDB Entry DOI: 10.7270/Q23N26ZW |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM18860
((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |r| Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 710 | n/a | n/a | n/a | n/a | n/a |
Goethe-University Frankfurt
Curated by ChEMBL
| Assay Description Binding affinity to recombinant PPARgamma LBD (unknown origin) by isothermal titration calorimetry |
J Med Chem 63: 6727-6740 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02150 BindingDB Entry DOI: 10.7270/Q23N26ZW |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50103763
(CHEBI:11684 | REVERSE TRIIODOTHYRONINE | Reverse T...)Show SMILES N[C@@H](Cc1ccc(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O |r| Show InChI InChI=1S/C15H12I3NO4/c16-9-3-7(4-12(19)15(21)22)1-2-13(9)23-8-5-10(17)14(20)11(18)6-8/h1-3,5-6,12,20H,4,19H2,(H,21,22)/t12-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 630 | n/a | n/a | n/a | n/a | n/a |
Goethe-University Frankfurt
Curated by ChEMBL
| Assay Description Binding affinity to recombinant PPARgamma LBD (unknown origin) by isothermal titration calorimetry |
J Med Chem 63: 6727-6740 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02150 BindingDB Entry DOI: 10.7270/Q23N26ZW |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM398043
(US10322118, Entry 1)Show InChI InChI=1S/C14H8I4O4/c15-8-4-7(5-9(16)13(8)21)22-14-10(17)1-6(2-11(14)18)3-12(19)20/h1-2,4-5,21H,3H2,(H,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a |
Goethe-University Frankfurt
Curated by ChEMBL
| Assay Description Binding affinity to recombinant PPARgamma LBD (unknown origin) by isothermal titration calorimetry |
J Med Chem 63: 6727-6740 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02150 BindingDB Entry DOI: 10.7270/Q23N26ZW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM18862
(2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]ac...)Show InChI InChI=1S/C14H9I3O4/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20/h1-4,6,18H,5H2,(H,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
| Article PubMed
| n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a |
Goethe-University Frankfurt
Curated by ChEMBL
| Assay Description Binding affinity to recombinant PPARgamma LBD (unknown origin) by isothermal titration calorimetry |
J Med Chem 63: 6727-6740 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02150 BindingDB Entry DOI: 10.7270/Q23N26ZW |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50301375
(3,3',5,5'-tetraiodo-L-thyronine | 3,5,3',5'-tetrai...)Show SMILES N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O |r| Show InChI InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.54E+4 | n/a | n/a | n/a | n/a |
Goethe-University Frankfurt
Curated by ChEMBL
| Assay Description Agonist activity at recombinant human pFA-CMV fused RXRalpha LBD expressed in HEK293T cells transfected with pFR-luciferase plasmid and pRL-SV40 plas... |
J Med Chem 63: 6727-6740 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02150 BindingDB Entry DOI: 10.7270/Q23N26ZW |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM398043
(US10322118, Entry 1)Show InChI InChI=1S/C14H8I4O4/c15-8-4-7(5-9(16)13(8)21)22-14-10(17)1-6(2-11(14)18)3-12(19)20/h1-2,4-5,21H,3H2,(H,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 1.32E+3 | n/a | n/a | n/a | n/a |
Goethe-University Frankfurt
Curated by ChEMBL
| Assay Description Agonist activity at recombinant human pFA-CMV fused RXRalpha LBD expressed in HEK293T cells transfected with pFR-luciferase plasmid and pRL-SV40 plas... |
J Med Chem 63: 6727-6740 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02150 BindingDB Entry DOI: 10.7270/Q23N26ZW |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM18862
(2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]ac...)Show InChI InChI=1S/C14H9I3O4/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20/h1-4,6,18H,5H2,(H,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
| Article PubMed
| n/a | n/a | n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a |
Goethe-University Frankfurt
Curated by ChEMBL
| Assay Description Agonist activity at recombinant human pFA-CMV fused RXRalpha LBD expressed in HEK293T cells transfected with pFR-luciferase plasmid and pRL-SV40 plas... |
J Med Chem 63: 6727-6740 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02150 BindingDB Entry DOI: 10.7270/Q23N26ZW |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50301375
(3,3',5,5'-tetraiodo-L-thyronine | 3,5,3',5'-tetrai...)Show SMILES N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O |r| Show InChI InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 930 | n/a | n/a | n/a | n/a | n/a |
Goethe-University Frankfurt
Curated by ChEMBL
| Assay Description Binding affinity to RXRalpha LBD (unknown origin) by isothermal titration calorimetry |
J Med Chem 63: 6727-6740 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02150 BindingDB Entry DOI: 10.7270/Q23N26ZW |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM398043
(US10322118, Entry 1)Show InChI InChI=1S/C14H8I4O4/c15-8-4-7(5-9(16)13(8)21)22-14-10(17)1-6(2-11(14)18)3-12(19)20/h1-2,4-5,21H,3H2,(H,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a |
Goethe-University Frankfurt
Curated by ChEMBL
| Assay Description Binding affinity to RXRalpha LBD (unknown origin) by isothermal titration calorimetry |
J Med Chem 63: 6727-6740 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02150 BindingDB Entry DOI: 10.7270/Q23N26ZW |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM18862
(2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]ac...)Show InChI InChI=1S/C14H9I3O4/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20/h1-4,6,18H,5H2,(H,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
| Article PubMed
| n/a | n/a | n/a | 1.32E+3 | n/a | n/a | n/a | n/a | n/a |
Goethe-University Frankfurt
Curated by ChEMBL
| Assay Description Binding affinity to RXRalpha LBD (unknown origin) by isothermal titration calorimetry |
J Med Chem 63: 6727-6740 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02150 BindingDB Entry DOI: 10.7270/Q23N26ZW |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50545549
(CHEMBL4638870)Show SMILES N[C@@H](Cc1cc(Br)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O |r| Show InChI InChI=1S/C15H11BrI3NO4/c16-8-1-6(3-12(20)15(22)23)2-11(19)14(8)24-7-4-9(17)13(21)10(18)5-7/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 1.29E+4 | n/a | n/a | n/a | n/a |
Goethe-University Frankfurt
Curated by ChEMBL
| Assay Description Agonist activity at recombinant human pFA-CMV fused PPARgamma expressed in HEK293T cells transfected with pFR-luciferase plasmid and pRL-SV40 plasmid... |
J Med Chem 63: 6727-6740 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02150 BindingDB Entry DOI: 10.7270/Q23N26ZW |
More data for this Ligand-Target Pair | |