Found 430 hits with Last Name = 'ohara' and Initial = 'h' 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 |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50125999
((R)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O Show InChI InChI=1S/C29H42N8O5/c1-17-13-20(38)14-18(2)21(17)16-22(30)26(40)36-23(9-6-11-35-29(32)33)28(42)37-24(15-19-7-4-3-5-8-19)27(41)34-12-10-25(31)39/h3-5,7-8,13-14,22-24,38H,6,9-12,15-16,30H2,1-2H3,(H2,31,39)(H,34,41)(H,36,40)(H,37,42)(H4,32,33,35)/t22-,23+,24-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.00205 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tohoku Pharmaceutical University
Curated by ChEMBL
| Assay Description Ability of the compound to displace [3H]-DAMGO from mu opioid receptor |
Bioorg Med Chem Lett 13: 1269-72 (2003)
BindingDB Entry DOI: 10.7270/Q2XS5TQ5 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50126000
((R)-2-[(S)-2-Amino-3-(2,6-dimethyl-phenyl)-propion...)Show SMILES Cc1cccc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c(C)cccc1C)C(=O)NCCC(N)=O Show InChI InChI=1S/C31H46N8O4/c1-18-8-5-9-19(2)22(18)16-24(32)28(41)38-25(12-7-14-37-31(34)35)30(43)39-26(29(42)36-15-13-27(33)40)17-23-20(3)10-6-11-21(23)4/h5-6,8-11,24-26H,7,12-17,32H2,1-4H3,(H2,33,40)(H,36,42)(H,38,41)(H,39,43)(H4,34,35,37)/t24-,25+,26-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.0216 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tohoku Pharmaceutical University
Curated by ChEMBL
| Assay Description Ability of the compound to displace [3H]-DAMGO from mu opioid receptor |
Bioorg Med Chem Lett 13: 1269-72 (2003)
BindingDB Entry DOI: 10.7270/Q2XS5TQ5 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50126003
((R)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyla...)Show SMILES Cc1cccc(C)c1C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCCC(N)=O Show InChI InChI=1S/C29H42N8O5/c1-17-5-3-6-18(2)21(17)16-24(27(41)34-14-12-25(31)39)37-28(42)23(7-4-13-35-29(32)33)36-26(40)22(30)15-19-8-10-20(38)11-9-19/h3,5-6,8-11,22-24,38H,4,7,12-16,30H2,1-2H3,(H2,31,39)(H,34,41)(H,36,40)(H,37,42)(H4,32,33,35)/t22-,23+,24-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.0350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tohoku Pharmaceutical University
Curated by ChEMBL
| Assay Description Ability of the compound to displace [3H]-DAMGO from mu opioid receptor |
Bioorg Med Chem Lett 13: 1269-72 (2003)
BindingDB Entry DOI: 10.7270/Q2XS5TQ5 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50125997
((R)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyla...)Show SMILES Cc1cccc(C)c1C[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCCC(N)=O Show InChI InChI=1S/C29H42N8O5/c1-17-5-3-6-18(2)21(17)16-24(27(41)34-14-12-25(31)39)37-28(42)23(7-4-13-35-29(32)33)36-26(40)22(30)15-19-8-10-20(38)11-9-19/h3,5-6,8-11,22-24,38H,4,7,12-16,30H2,1-2H3,(H2,31,39)(H,34,41)(H,36,40)(H,37,42)(H4,32,33,35)/t22-,23+,24+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.0618 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tohoku Pharmaceutical University
Curated by ChEMBL
| Assay Description Ability of the compound to displace [3H]-DAMGO from mu opioid receptor |
Bioorg Med Chem Lett 13: 1269-72 (2003)
BindingDB Entry DOI: 10.7270/Q2XS5TQ5 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50125996
((R)-2-[(S)-2-Amino-3-(2,6-dimethyl-phenyl)-propion...)Show SMILES Cc1cccc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O Show InChI InChI=1S/C29H42N8O4/c1-18-8-6-9-19(2)21(18)17-22(30)26(39)36-23(12-7-14-35-29(32)33)28(41)37-24(16-20-10-4-3-5-11-20)27(40)34-15-13-25(31)38/h3-6,8-11,22-24H,7,12-17,30H2,1-2H3,(H2,31,38)(H,34,40)(H,36,39)(H,37,41)(H4,32,33,35)/t22-,23+,24-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.0623 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tohoku Pharmaceutical University
Curated by ChEMBL
| Assay Description Ability of the compound to displace [3H]-DAMGO from mu opioid receptor |
Bioorg Med Chem Lett 13: 1269-72 (2003)
BindingDB Entry DOI: 10.7270/Q2XS5TQ5 |
More data for this Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(RAT) | BDBM21147
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Occupational and Environmental Health
Curated by PDSP Ki Database
| |
Br J Pharmacol 117: 1558-64 (1996)
Article DOI: 10.1111/j.1476-5381.1996.tb15321.x BindingDB Entry DOI: 10.7270/Q28W3BT3 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50125998
((R)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyla...)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O Show InChI InChI=1S/C27H38N8O5/c28-20(15-18-8-10-19(36)11-9-18)24(38)34-21(7-4-13-33-27(30)31)26(40)35-22(16-17-5-2-1-3-6-17)25(39)32-14-12-23(29)37/h1-3,5-6,8-11,20-22,36H,4,7,12-16,28H2,(H2,29,37)(H,32,39)(H,34,38)(H,35,40)(H4,30,31,33)/t20-,21+,22-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.172 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tohoku Pharmaceutical University
Curated by ChEMBL
| Assay Description Ability of the compound to displace [3H]-DAMGO from mu opioid receptor |
Bioorg Med Chem Lett 13: 1269-72 (2003)
BindingDB Entry DOI: 10.7270/Q2XS5TQ5 |
More data for this Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(RAT) | BDBM50005463
((R)-1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-...)Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1 |r,c:9| Show InChI InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)/t23-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 0.420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Occupational and Environmental Health
Curated by PDSP Ki Database
| |
Br J Pharmacol 117: 1558-64 (1996)
Article DOI: 10.1111/j.1476-5381.1996.tb15321.x BindingDB Entry DOI: 10.7270/Q28W3BT3 |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50385105
(CHEMBL2035874 | US10322118, Entry 8b)Show SMILES CC(C)c1cc(Oc2c(Br)cc(NC(=O)CC(O)=O)cc2Br)ccc1O Show InChI InChI=1S/C18H17Br2NO5/c1-9(2)12-7-11(3-4-15(12)22)26-18-13(19)5-10(6-14(18)20)21-16(23)8-17(24)25/h3-7,9,22H,8H2,1-2H3,(H,21,23)(H,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG PC cid PC sid PDB UniChem
| Article PubMed
| 0.430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]T3 from human recombinant thyroid harmone receptor beta after 16 to 48 hrs by gamma-ray detection |
Bioorg Med Chem 20: 3622-34 (2012)
Article DOI: 10.1016/j.bmc.2012.03.056 BindingDB Entry DOI: 10.7270/Q2SF2X6V |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50125999
((R)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O Show InChI InChI=1S/C29H42N8O5/c1-17-13-20(38)14-18(2)21(17)16-22(30)26(40)36-23(9-6-11-35-29(32)33)28(42)37-24(15-19-7-4-3-5-8-19)27(41)34-12-10-25(31)39/h3-5,7-8,13-14,22-24,38H,6,9-12,15-16,30H2,1-2H3,(H2,31,39)(H,34,41)(H,36,40)(H,37,42)(H4,32,33,35)/t22-,23+,24-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tohoku Pharmaceutical University
Curated by ChEMBL
| Assay Description Ability of the compound to displace [3H]-deltorphin II from delta opioid receptor |
Bioorg Med Chem Lett 13: 1269-72 (2003)
BindingDB Entry DOI: 10.7270/Q2XS5TQ5 |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50385109
(CHEMBL2035879)Show SMILES CC(C)c1cc(Oc2c3CCCc3c(NC(=O)CC(O)=O)cc2Br)ccc1O Show InChI InChI=1S/C21H22BrNO5/c1-11(2)15-8-12(6-7-18(15)24)28-21-14-5-3-4-13(14)17(9-16(21)22)23-19(25)10-20(26)27/h6-9,11,24H,3-5,10H2,1-2H3,(H,23,25)(H,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 1.19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]T3 from human recombinant thyroid harmone receptor beta after 16 to 48 hrs by gamma-ray detection |
Bioorg Med Chem 20: 3622-34 (2012)
Article DOI: 10.1016/j.bmc.2012.03.056 BindingDB Entry DOI: 10.7270/Q2SF2X6V |
More data for this Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(RAT) | BDBM84958
(2-[[(R)-2-(1H-Indol-2-ylcarbonylamino)-3-(4-benzhy...)Show SMILES OC(=O)c1cccnc1SC[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C35H33N5O4S/c41-32(29-22-26-14-7-8-16-28(26)37-29)38-30(23-45-33-27(35(43)44)15-9-17-36-33)34(42)40-20-18-39(19-21-40)31(24-10-3-1-4-11-24)25-12-5-2-6-13-25/h1-17,22,30-31,37H,18-21,23H2,(H,38,41)(H,43,44)/t30-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Occupational and Environmental Health
Curated by PDSP Ki Database
| |
Br J Pharmacol 117: 1558-64 (1996)
Article DOI: 10.1111/j.1476-5381.1996.tb15321.x BindingDB Entry DOI: 10.7270/Q28W3BT3 |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50385101
(CHEMBL2035876)Show SMILES CC(C)c1cc(Oc2c(Cl)cc(NC(=O)CC(O)=O)c(Cl)c2Cl)ccc1O Show InChI InChI=1S/C18H16Cl3NO5/c1-8(2)10-5-9(3-4-13(10)23)27-18-11(19)6-12(16(20)17(18)21)22-14(24)7-15(25)26/h3-6,8,23H,7H2,1-2H3,(H,22,24)(H,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| 1.54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]T3 from human recombinant thyroid harmone receptor beta after 16 to 48 hrs by gamma-ray detection |
Bioorg Med Chem 20: 3622-34 (2012)
Article DOI: 10.1016/j.bmc.2012.03.056 BindingDB Entry DOI: 10.7270/Q2SF2X6V |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50273137
((3-{[(3-Carbamimidoyl-phenyl)-({4-[1-(1-imino-ethy...)Show SMILES CC(=N)N1CCC(CC1)c1ccc(NC(=O)CN(Cc2cccc(OCC(O)=O)c2)c2cccc(c2)C(N)=N)cc1 Show InChI InChI=1S/C31H36N6O4/c1-21(32)36-14-12-24(13-15-36)23-8-10-26(11-9-23)35-29(38)19-37(27-6-3-5-25(17-27)31(33)34)18-22-4-2-7-28(16-22)41-20-30(39)40/h2-11,16-17,24,32H,12-15,18-20H2,1H3,(H3,33,34)(H,35,38)(H,39,40) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.73 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a by Dixon-plot method |
Bioorg Med Chem Lett 18: 4682-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.009 BindingDB Entry DOI: 10.7270/Q208654H |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50036399
(Axitirome | CHEMBL159682 | N-(4-{3-[(4-Fluoro-phen...)Show SMILES CCOC(=O)C(=O)Nc1cc(C)c(Oc2ccc(O)c(c2)C(O)c2ccc(F)cc2)c(C)c1 Show InChI InChI=1S/C25H24FNO6/c1-4-32-25(31)24(30)27-18-11-14(2)23(15(3)12-18)33-19-9-10-21(28)20(13-19)22(29)16-5-7-17(26)8-6-16/h5-13,22,28-29H,4H2,1-3H3,(H,27,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]-T3 from human TRbeta expressed in insect cells after 16 to 48 hrs by gamma-counting |
Bioorg Med Chem 21: 592-607 (2013)
Article DOI: 10.1016/j.bmc.2012.12.002 BindingDB Entry DOI: 10.7270/Q2JS9RRW |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(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
| DrugBank PDB Article PubMed
| 2.29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]T3 from human recombinant thyroid harmone receptor beta after 16 to 48 hrs by gamma-ray detection |
Bioorg Med Chem 20: 3622-34 (2012)
Article DOI: 10.1016/j.bmc.2012.03.056 BindingDB Entry DOI: 10.7270/Q2SF2X6V |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thyroid hormone receptor alpha
(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
| DrugBank PDB Article PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]-T3 from human TRalpha expressed in insect cells after 16 to 48 hrs by gamma-counting |
Bioorg Med Chem 21: 592-607 (2013)
Article DOI: 10.1016/j.bmc.2012.12.002 BindingDB Entry DOI: 10.7270/Q2JS9RRW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thyroid hormone receptor beta
(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
| DrugBank PDB Article PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]-T3 from human TRbeta expressed in insect cells after 16 to 48 hrs by gamma-counting |
Bioorg Med Chem 21: 592-607 (2013)
Article DOI: 10.1016/j.bmc.2012.12.002 BindingDB Entry DOI: 10.7270/Q2JS9RRW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thyroid hormone receptor alpha
(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
| DrugBank PDB Article PubMed
| 2.33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]T3 from human recombinant thyroid harmone receptor alpha after 16 to 48 hrs by gamma-ray detection |
Bioorg Med Chem 20: 3622-34 (2012)
Article DOI: 10.1016/j.bmc.2012.03.056 BindingDB Entry DOI: 10.7270/Q2SF2X6V |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50385111
(CHEMBL2035881)Show SMILES CC(C)c1cc(Oc2c3CCCc3c(NC(=O)C(O)=O)cc2C)ccc1O Show InChI InChI=1S/C21H23NO5/c1-11(2)16-10-13(7-8-18(16)23)27-19-12(3)9-17(22-20(24)21(25)26)14-5-4-6-15(14)19/h7-11,23H,4-6H2,1-3H3,(H,22,24)(H,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]T3 from human recombinant thyroid harmone receptor alpha after 16 to 48 hrs by gamma-ray detection |
Bioorg Med Chem 20: 3622-34 (2012)
Article DOI: 10.1016/j.bmc.2012.03.056 BindingDB Entry DOI: 10.7270/Q2SF2X6V |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50385111
(CHEMBL2035881)Show SMILES CC(C)c1cc(Oc2c3CCCc3c(NC(=O)C(O)=O)cc2C)ccc1O Show InChI InChI=1S/C21H23NO5/c1-11(2)16-10-13(7-8-18(16)23)27-19-12(3)9-17(22-20(24)21(25)26)14-5-4-6-15(14)19/h7-11,23H,4-6H2,1-3H3,(H,22,24)(H,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]T3 from human recombinant thyroid harmone receptor beta after 16 to 48 hrs by gamma-ray detection |
Bioorg Med Chem 20: 3622-34 (2012)
Article DOI: 10.1016/j.bmc.2012.03.056 BindingDB Entry DOI: 10.7270/Q2SF2X6V |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50425407
(CHEMBL2312281)Show SMILES Cc1cc(NC(=O)CC(O)=O)c2CCCc2c1Oc1ccc(O)c(Cc2ccc(F)cc2)c1 Show InChI InChI=1S/C26H24FNO5/c1-15-11-22(28-24(30)14-25(31)32)20-3-2-4-21(20)26(15)33-19-9-10-23(29)17(13-19)12-16-5-7-18(27)8-6-16/h5-11,13,29H,2-4,12,14H2,1H3,(H,28,30)(H,31,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]-T3 from human TRbeta expressed in insect cells after 16 to 48 hrs by gamma-counting |
Bioorg Med Chem 21: 592-607 (2013)
Article DOI: 10.1016/j.bmc.2012.12.002 BindingDB Entry DOI: 10.7270/Q2JS9RRW |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50273136
(CHEMBL455932 | CHEMBL463179 | {4-[2-(5-Carbamimido...)Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)c(OCC(O)=O)c1 Show InChI InChI=1S/C24H25N3O8S2/c1-36(31,32)21-5-3-2-4-18(21)16-7-6-15(20(12-16)35-14-23(29)30)10-11-27-37(33,34)22-13-17(24(25)26)8-9-19(22)28/h2-9,12-13,27-28H,10-11,14H2,1H3,(H3,25,26)(H,29,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a by Dixon-plot method |
Bioorg Med Chem Lett 18: 4682-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.009 BindingDB Entry DOI: 10.7270/Q208654H |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50273299
(CHEMBL455933 | {4-[2-(5-Carbamimidoyl-2-hydroxy-be...)Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)c(NCC(O)=O)c1 Show InChI InChI=1S/C24H26N4O7S2/c1-36(32,33)21-5-3-2-4-18(21)16-7-6-15(19(12-16)27-14-23(30)31)10-11-28-37(34,35)22-13-17(24(25)26)8-9-20(22)29/h2-9,12-13,27-29H,10-11,14H2,1H3,(H3,25,26)(H,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a by Dixon-plot method |
Bioorg Med Chem Lett 18: 4682-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.009 BindingDB Entry DOI: 10.7270/Q208654H |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50425399
(CHEMBL2312269)Show SMILES Cc1cc(NC(=O)CC(O)=O)c2CCCc2c1Oc1ccc(O)c(CCc2ccc(F)c(F)c2)c1 Show InChI InChI=1S/C27H25F2NO5/c1-15-11-23(30-25(32)14-26(33)34)19-3-2-4-20(19)27(15)35-18-8-10-24(31)17(13-18)7-5-16-6-9-21(28)22(29)12-16/h6,8-13,31H,2-5,7,14H2,1H3,(H,30,32)(H,33,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]-T3 from human TRbeta expressed in insect cells after 16 to 48 hrs by gamma-counting |
Bioorg Med Chem 21: 592-607 (2013)
Article DOI: 10.1016/j.bmc.2012.12.002 BindingDB Entry DOI: 10.7270/Q2JS9RRW |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50126001
((R)-2-((S)-2-Amino-3-phenyl-propionylamino)-5-guan...)Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O Show InChI InChI=1S/C27H38N8O4/c28-20(16-18-8-3-1-4-9-18)24(37)34-21(12-7-14-33-27(30)31)26(39)35-22(17-19-10-5-2-6-11-19)25(38)32-15-13-23(29)36/h1-6,8-11,20-22H,7,12-17,28H2,(H2,29,36)(H,32,38)(H,34,37)(H,35,39)(H4,30,31,33)/t20-,21+,22-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tohoku Pharmaceutical University
Curated by ChEMBL
| Assay Description Ability of the compound to displace [3H]-DAMGO from mu opioid receptor |
Bioorg Med Chem Lett 13: 1269-72 (2003)
BindingDB Entry DOI: 10.7270/Q2XS5TQ5 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50126002
((R)-2-[(R)-2-Amino-3-(2,6-dimethyl-phenyl)-propion...)Show SMILES Cc1cccc(C)c1C[C@@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O Show InChI InChI=1S/C29H42N8O4/c1-18-8-6-9-19(2)21(18)17-22(30)26(39)36-23(12-7-14-35-29(32)33)28(41)37-24(16-20-10-4-3-5-11-20)27(40)34-15-13-25(31)38/h3-6,8-11,22-24H,7,12-17,30H2,1-2H3,(H2,31,38)(H,34,40)(H,36,39)(H,37,41)(H4,32,33,35)/t22-,23-,24+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 7.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tohoku Pharmaceutical University
Curated by ChEMBL
| Assay Description Ability of the compound to displace [3H]-DAMGO from mu opioid receptor |
Bioorg Med Chem Lett 13: 1269-72 (2003)
BindingDB Entry DOI: 10.7270/Q2XS5TQ5 |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50385108
(CHEMBL2035878)Show SMILES CC(C)c1cc(Oc2c3CCCc3c(NC(=O)CC(O)=O)cc2C)ccc1O Show InChI InChI=1S/C22H25NO5/c1-12(2)17-10-14(7-8-19(17)24)28-22-13(3)9-18(15-5-4-6-16(15)22)23-20(25)11-21(26)27/h7-10,12,24H,4-6,11H2,1-3H3,(H,23,25)(H,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 7.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]T3 from human recombinant thyroid harmone receptor beta after 16 to 48 hrs by gamma-ray detection |
Bioorg Med Chem 20: 3622-34 (2012)
Article DOI: 10.1016/j.bmc.2012.03.056 BindingDB Entry DOI: 10.7270/Q2SF2X6V |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50425404
(CHEMBL2312264)Show SMILES Cc1cc(NC(=O)CC(O)=O)c2CCCc2c1Oc1ccc(O)c(CCc2ccc(F)cc2)c1 Show InChI InChI=1S/C27H26FNO5/c1-16-13-23(29-25(31)15-26(32)33)21-3-2-4-22(21)27(16)34-20-11-12-24(30)18(14-20)8-5-17-6-9-19(28)10-7-17/h6-7,9-14,30H,2-5,8,15H2,1H3,(H,29,31)(H,32,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]-T3 from human TRbeta expressed in insect cells after 16 to 48 hrs by gamma-counting |
Bioorg Med Chem 21: 592-607 (2013)
Article DOI: 10.1016/j.bmc.2012.12.002 BindingDB Entry DOI: 10.7270/Q2JS9RRW |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50036421
((S)-2-Amino-3-{3,5-dibromo-4-[4-hydroxy-3-(6-oxo-1...)Show SMILES N[C@@H](Cc1cc(Br)c(Oc2ccc(O)c(Cc3ccc(=O)[nH]n3)c2)c(Br)c1)C(O)=O Show InChI InChI=1S/C20H17Br2N3O5/c21-14-5-10(7-16(23)20(28)29)6-15(22)19(14)30-13-2-3-17(26)11(9-13)8-12-1-4-18(27)25-24-12/h1-6,9,16,26H,7-8,23H2,(H,25,27)(H,28,29)/t16-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| 8.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]-T3 from human TRalpha expressed in insect cells after 16 to 48 hrs by gamma-counting |
Bioorg Med Chem 21: 592-607 (2013)
Article DOI: 10.1016/j.bmc.2012.12.002 BindingDB Entry DOI: 10.7270/Q2JS9RRW |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50385105
(CHEMBL2035874 | US10322118, Entry 8b)Show SMILES CC(C)c1cc(Oc2c(Br)cc(NC(=O)CC(O)=O)cc2Br)ccc1O Show InChI InChI=1S/C18H17Br2NO5/c1-9(2)12-7-11(3-4-15(12)22)26-18-13(19)5-10(6-14(18)20)21-16(23)8-17(24)25/h3-7,9,22H,8H2,1-2H3,(H,21,23)(H,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid PDB UniChem
| Article PubMed
| 9.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]T3 from human recombinant thyroid harmone receptor alpha after 16 to 48 hrs by gamma-ray detection |
Bioorg Med Chem 20: 3622-34 (2012)
Article DOI: 10.1016/j.bmc.2012.03.056 BindingDB Entry DOI: 10.7270/Q2SF2X6V |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50273297
(CHEMBL459136 | N-{2-[2-(5-Carbamimidoyl-2-hydroxy-...)Show SMILES CC(C)c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)c(NC(=O)C(O)=O)c1 Show InChI InChI=1S/C20H24N4O6S/c1-11(2)13-4-3-12(15(9-13)24-19(26)20(27)28)7-8-23-31(29,30)17-10-14(18(21)22)5-6-16(17)25/h3-6,9-11,23,25H,7-8H2,1-2H3,(H3,21,22)(H,24,26)(H,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a by Dixon-plot method |
Bioorg Med Chem Lett 18: 4682-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.009 BindingDB Entry DOI: 10.7270/Q208654H |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50385106
(CHEMBL2035875)Show SMILES CC(C)c1cc(Oc2c(C)cc(NC(=O)CC(O)=O)cc2C)ccc1O Show InChI InChI=1S/C20H23NO5/c1-11(2)16-9-15(5-6-17(16)22)26-20-12(3)7-14(8-13(20)4)21-18(23)10-19(24)25/h5-9,11,22H,10H2,1-4H3,(H,21,23)(H,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]T3 from human recombinant thyroid harmone receptor beta after 16 to 48 hrs by gamma-ray detection |
Bioorg Med Chem 20: 3622-34 (2012)
Article DOI: 10.1016/j.bmc.2012.03.056 BindingDB Entry DOI: 10.7270/Q2SF2X6V |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50425400
(CHEMBL2312268)Show SMILES Cc1cc(NC(=O)CC(O)=O)c2CCCc2c1Oc1ccc(O)c(CCc2ccc(F)cc2F)c1 Show InChI InChI=1S/C27H25F2NO5/c1-15-11-23(30-25(32)14-26(33)34)20-3-2-4-21(20)27(15)35-19-9-10-24(31)17(12-19)6-5-16-7-8-18(28)13-22(16)29/h7-13,31H,2-6,14H2,1H3,(H,30,32)(H,33,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]-T3 from human TRbeta expressed in insect cells after 16 to 48 hrs by gamma-counting |
Bioorg Med Chem 21: 592-607 (2013)
Article DOI: 10.1016/j.bmc.2012.12.002 BindingDB Entry DOI: 10.7270/Q2JS9RRW |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50273229
(CHEMBL455916 | {(5-Carbamimidoyl-2-hydroxy-benzene...)Show SMILES CC(C)c1ccc(CCN(CC(O)=O)S(=O)(=O)c2cc(ccc2O)C(N)=N)cc1 Show InChI InChI=1S/C20H25N3O5S/c1-13(2)15-5-3-14(4-6-15)9-10-23(12-19(25)26)29(27,28)18-11-16(20(21)22)7-8-17(18)24/h3-8,11,13,24H,9-10,12H2,1-2H3,(H3,21,22)(H,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a by Dixon-plot method |
Bioorg Med Chem Lett 18: 4682-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.009 BindingDB Entry DOI: 10.7270/Q208654H |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50425406
(CHEMBL2312262)Show SMILES Cc1cc(NC(=O)CC(O)=O)c2CCCc2c1Oc1ccc(O)c(Cc2ccc(=O)[nH]n2)c1 Show InChI InChI=1S/C24H23N3O6/c1-13-9-19(25-22(30)12-23(31)32)17-3-2-4-18(17)24(13)33-16-6-7-20(28)14(11-16)10-15-5-8-21(29)27-26-15/h5-9,11,28H,2-4,10,12H2,1H3,(H,25,30)(H,27,29)(H,31,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]-T3 from human TRbeta expressed in insect cells after 16 to 48 hrs by gamma-counting |
Bioorg Med Chem 21: 592-607 (2013)
Article DOI: 10.1016/j.bmc.2012.12.002 BindingDB Entry DOI: 10.7270/Q2JS9RRW |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50385102
(CHEMBL2035882)Show SMILES CC(C)c1cc(Oc2c3CCCc3c(cc2C)C(=O)NCC(O)=O)ccc1O Show InChI InChI=1S/C22H25NO5/c1-12(2)17-10-14(7-8-19(17)24)28-21-13(3)9-18(15-5-4-6-16(15)21)22(27)23-11-20(25)26/h7-10,12,24H,4-6,11H2,1-3H3,(H,23,27)(H,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 15.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]T3 from human recombinant thyroid harmone receptor beta after 16 to 48 hrs by gamma-ray detection |
Bioorg Med Chem 20: 3622-34 (2012)
Article DOI: 10.1016/j.bmc.2012.03.056 BindingDB Entry DOI: 10.7270/Q2SF2X6V |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50425388
(CHEMBL2312280)Show SMILES Cc1cc(NC(=O)CC(O)=O)c2CCCc2c1Oc1ccc(O)c(CCC2CCCCC2)c1 Show InChI InChI=1S/C27H33NO5/c1-17-14-23(28-25(30)16-26(31)32)21-8-5-9-22(21)27(17)33-20-12-13-24(29)19(15-20)11-10-18-6-3-2-4-7-18/h12-15,18,29H,2-11,16H2,1H3,(H,28,30)(H,31,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]-T3 from human TRbeta expressed in insect cells after 16 to 48 hrs by gamma-counting |
Bioorg Med Chem 21: 592-607 (2013)
Article DOI: 10.1016/j.bmc.2012.12.002 BindingDB Entry DOI: 10.7270/Q2JS9RRW |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50385104
(CHEMBL2035884)Show SMILES CC(C)c1cc(Cc2c3CCCc3c(NC(=O)CC(O)=O)cc2C)ccc1O Show InChI InChI=1S/C23H27NO4/c1-13(2)18-10-15(7-8-21(18)25)11-19-14(3)9-20(17-6-4-5-16(17)19)24-22(26)12-23(27)28/h7-10,13,25H,4-6,11-12H2,1-3H3,(H,24,26)(H,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 19.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]T3 from human recombinant thyroid harmone receptor beta after 16 to 48 hrs by gamma-ray detection |
Bioorg Med Chem 20: 3622-34 (2012)
Article DOI: 10.1016/j.bmc.2012.03.056 BindingDB Entry DOI: 10.7270/Q2SF2X6V |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50385107
(CHEMBL2035877)Show SMILES CC(C)c1cc(Oc2c(C)cc(NC(=O)CC(O)=O)c(C)c2C)ccc1O Show InChI InChI=1S/C21H25NO5/c1-11(2)16-9-15(6-7-18(16)23)27-21-12(3)8-17(13(4)14(21)5)22-19(24)10-20(25)26/h6-9,11,23H,10H2,1-5H3,(H,22,24)(H,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 20.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]T3 from human recombinant thyroid harmone receptor beta after 16 to 48 hrs by gamma-ray detection |
Bioorg Med Chem 20: 3622-34 (2012)
Article DOI: 10.1016/j.bmc.2012.03.056 BindingDB Entry DOI: 10.7270/Q2SF2X6V |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50385101
(CHEMBL2035876)Show SMILES CC(C)c1cc(Oc2c(Cl)cc(NC(=O)CC(O)=O)c(Cl)c2Cl)ccc1O Show InChI InChI=1S/C18H16Cl3NO5/c1-8(2)10-5-9(3-4-13(10)23)27-18-11(19)6-12(16(20)17(18)21)22-14(24)7-15(25)26/h3-6,8,23H,7H2,1-2H3,(H,22,24)(H,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| 24.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]T3 from human recombinant thyroid harmone receptor alpha after 16 to 48 hrs by gamma-ray detection |
Bioorg Med Chem 20: 3622-34 (2012)
Article DOI: 10.1016/j.bmc.2012.03.056 BindingDB Entry DOI: 10.7270/Q2SF2X6V |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50273188
(3-[2-(4-tert-Butyl-phenyl)-ethylsulfamoyl]-4-hydro...)Show SMILES CC(C)(C)c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)cc1 Show InChI InChI=1S/C19H25N3O3S/c1-19(2,3)15-7-4-13(5-8-15)10-11-22-26(24,25)17-12-14(18(20)21)6-9-16(17)23/h4-9,12,22-23H,10-11H2,1-3H3,(H3,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a by Dixon-plot method |
Bioorg Med Chem Lett 18: 4682-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.009 BindingDB Entry DOI: 10.7270/Q208654H |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50273138
(4-Hydroxy-3-[2-(4-isopropyl-phenyl)-ethylsulfamoyl...)Show SMILES CC(C)c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)cc1 Show InChI InChI=1S/C18H23N3O3S/c1-12(2)14-5-3-13(4-6-14)9-10-21-25(23,24)17-11-15(18(19)20)7-8-16(17)22/h3-8,11-12,21-22H,9-10H2,1-2H3,(H3,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a by Dixon-plot method |
Bioorg Med Chem Lett 18: 4682-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.009 BindingDB Entry DOI: 10.7270/Q208654H |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50425398
(CHEMBL2312270)Show SMILES Cc1cc(NC(=O)CC(O)=O)c2CCCc2c1Oc1ccc(O)c(CCc2ccccc2Cl)c1 Show InChI InChI=1S/C27H26ClNO5/c1-16-13-23(29-25(31)15-26(32)33)20-6-4-7-21(20)27(16)34-19-11-12-24(30)18(14-19)10-9-17-5-2-3-8-22(17)28/h2-3,5,8,11-14,30H,4,6-7,9-10,15H2,1H3,(H,29,31)(H,32,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]-T3 from human TRbeta expressed in insect cells after 16 to 48 hrs by gamma-counting |
Bioorg Med Chem 21: 592-607 (2013)
Article DOI: 10.1016/j.bmc.2012.12.002 BindingDB Entry DOI: 10.7270/Q2JS9RRW |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50425407
(CHEMBL2312281)Show SMILES Cc1cc(NC(=O)CC(O)=O)c2CCCc2c1Oc1ccc(O)c(Cc2ccc(F)cc2)c1 Show InChI InChI=1S/C26H24FNO5/c1-15-11-22(28-24(30)14-25(31)32)20-3-2-4-21(20)26(15)33-19-9-10-23(29)17(13-19)12-16-5-7-18(27)8-6-16/h5-11,13,29H,2-4,12,14H2,1H3,(H,28,30)(H,31,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]-T3 from human TRalpha expressed in insect cells after 16 to 48 hrs by gamma-counting |
Bioorg Med Chem 21: 592-607 (2013)
Article DOI: 10.1016/j.bmc.2012.12.002 BindingDB Entry DOI: 10.7270/Q2JS9RRW |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50425389
(CHEMBL2312279)Show SMILES CC(C)CCc1cc(Oc2c3CCCc3c(NC(=O)CC(O)=O)cc2C)ccc1O Show InChI InChI=1S/C24H29NO5/c1-14(2)7-8-16-12-17(9-10-21(16)26)30-24-15(3)11-20(18-5-4-6-19(18)24)25-22(27)13-23(28)29/h9-12,14,26H,4-8,13H2,1-3H3,(H,25,27)(H,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]-T3 from human TRbeta expressed in insect cells after 16 to 48 hrs by gamma-counting |
Bioorg Med Chem 21: 592-607 (2013)
Article DOI: 10.1016/j.bmc.2012.12.002 BindingDB Entry DOI: 10.7270/Q2JS9RRW |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50425390
(CHEMBL2312278)Show SMILES CC(C)Cc1cc(Oc2c3CCCc3c(NC(=O)CC(O)=O)cc2C)ccc1O Show InChI InChI=1S/C23H27NO5/c1-13(2)9-15-11-16(7-8-20(15)25)29-23-14(3)10-19(17-5-4-6-18(17)23)24-21(26)12-22(27)28/h7-8,10-11,13,25H,4-6,9,12H2,1-3H3,(H,24,26)(H,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]-T3 from human TRbeta expressed in insect cells after 16 to 48 hrs by gamma-counting |
Bioorg Med Chem 21: 592-607 (2013)
Article DOI: 10.1016/j.bmc.2012.12.002 BindingDB Entry DOI: 10.7270/Q2JS9RRW |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50425396
(CHEMBL2312272)Show SMILES Cc1cc(NC(=O)CC(O)=O)c2CCCc2c1Oc1ccc(O)c(CCc2ccc(Cl)cc2)c1 Show InChI InChI=1S/C27H26ClNO5/c1-16-13-23(29-25(31)15-26(32)33)21-3-2-4-22(21)27(16)34-20-11-12-24(30)18(14-20)8-5-17-6-9-19(28)10-7-17/h6-7,9-14,30H,2-5,8,15H2,1H3,(H,29,31)(H,32,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]-T3 from human TRbeta expressed in insect cells after 16 to 48 hrs by gamma-counting |
Bioorg Med Chem 21: 592-607 (2013)
Article DOI: 10.1016/j.bmc.2012.12.002 BindingDB Entry DOI: 10.7270/Q2JS9RRW |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50425405
(CHEMBL2312263)Show SMILES Cc1cc(NC(=O)CC(O)=O)c2CCCc2c1Oc1ccc(O)c(CCc2ccccc2)c1 Show InChI InChI=1S/C27H27NO5/c1-17-14-23(28-25(30)16-26(31)32)21-8-5-9-22(21)27(17)33-20-12-13-24(29)19(15-20)11-10-18-6-3-2-4-7-18/h2-4,6-7,12-15,29H,5,8-11,16H2,1H3,(H,28,30)(H,31,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]-T3 from human TRbeta expressed in insect cells after 16 to 48 hrs by gamma-counting |
Bioorg Med Chem 21: 592-607 (2013)
Article DOI: 10.1016/j.bmc.2012.12.002 BindingDB Entry DOI: 10.7270/Q2JS9RRW |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50036399
(Axitirome | CHEMBL159682 | N-(4-{3-[(4-Fluoro-phen...)Show SMILES CCOC(=O)C(=O)Nc1cc(C)c(Oc2ccc(O)c(c2)C(O)c2ccc(F)cc2)c(C)c1 Show InChI InChI=1S/C25H24FNO6/c1-4-32-25(31)24(30)27-18-11-14(2)23(15(3)12-18)33-19-9-10-21(28)20(13-19)22(29)16-5-7-17(26)8-6-16/h5-13,22,28-29H,4H2,1-3H3,(H,27,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Displacement of [125I]-T3 from human TRalpha expressed in insect cells after 16 to 48 hrs by gamma-counting |
Bioorg Med Chem 21: 592-607 (2013)
Article DOI: 10.1016/j.bmc.2012.12.002 BindingDB Entry DOI: 10.7270/Q2JS9RRW |
More data for this Ligand-Target Pair | |