Found 267 hits with Last Name = 'tohyama' and Initial = 'k' 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 |
|---|
Solute carrier organic anion transporter family member 1C1
(Mus musculus) | BDBM50225220
(CHEMBL559 | D-thyroxine | O-(4-hydroxy-3,5-diiodop...)Show SMILES N[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O 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-/m1/s1 | UniProtKB/SwissProt
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PubMed
| 270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of L-T4 uptake in Oatp14-expressing HEK293 cells |
Endocrinology 145: 4384-91 (2004)
Article DOI: 10.1210/en.2004-0058
BindingDB Entry DOI: 10.7270/Q2251N23 |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1C1
(Mus musculus) | 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 | UniProtKB/SwissProt
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PubMed
| 910 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of L-T4 uptake in Oatp14-expressing HEK293 cells |
Endocrinology 145: 4384-91 (2004)
Article DOI: 10.1210/en.2004-0058
BindingDB Entry DOI: 10.7270/Q2251N23 |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1C1
(Mus musculus) | 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) | UniProtKB/SwissProt
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| 2.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of L-T4 uptake in Oatp14-expressing HEK293 cells |
Endocrinology 145: 4384-91 (2004)
Article DOI: 10.1210/en.2004-0058
BindingDB Entry DOI: 10.7270/Q2251N23 |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1C1
(Mus musculus) | 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 | UniProtKB/SwissProt
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| 2.42E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of L-T4 uptake in Oatp14-expressing HEK293 cells |
Endocrinology 145: 4384-91 (2004)
Article DOI: 10.1210/en.2004-0058
BindingDB Entry DOI: 10.7270/Q2251N23 |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1C1
(Mus musculus) | BDBM50366524
(ESTRONE | ESTROPIPATE | Estrone 3-sulfate | Estron...)Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(O)(=O)=O)ccc34)[C@@H]1CCC2=O Show InChI InChI=1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,18+/m1/s1 | UniProtKB/SwissProt
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KEGG
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| Article
PubMed
| 5.31E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of L-T4 uptake in Oatp14-expressing HEK293 cells |
Endocrinology 145: 4384-91 (2004)
Article DOI: 10.1210/en.2004-0058
BindingDB Entry DOI: 10.7270/Q2251N23 |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1C1
(Mus musculus) | BDBM50344959
(17beta-Estradiol-17-(beta-D-glucuronide) | CHEMBL1...)Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O |r| Show InChI InChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(25)10-11(13)2-4-15(14)16(24)6-7-17(24)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+/m1/s1 | UniProtKB/SwissProt
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| Article
PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of L-T4 uptake in Oatp14-expressing HEK293 cells |
Endocrinology 145: 4384-91 (2004)
Article DOI: 10.1210/en.2004-0058
BindingDB Entry DOI: 10.7270/Q2251N23 |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1C1
(Mus musculus) | BDBM50375594
(TAUROCHOLATE)Show SMILES C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |r| Show InChI InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1 | UniProtKB/SwissProt
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PubMed
| 1.09E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of L-T4 uptake in Oatp14-expressing HEK293 cells |
Endocrinology 145: 4384-91 (2004)
Article DOI: 10.1210/en.2004-0058
BindingDB Entry DOI: 10.7270/Q2251N23 |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1C1
(Mus musculus) | BDBM50206509
(4-Dipropylsulfamoyl-benzoic acid | 4-Dipropylsulfa...)Show InChI InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16) | UniProtKB/SwissProt
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| 2.93E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of L-T4 uptake in Oatp14-expressing HEK293 cells |
Endocrinology 145: 4384-91 (2004)
Article DOI: 10.1210/en.2004-0058
BindingDB Entry DOI: 10.7270/Q2251N23 |
More data for this
Ligand-Target Pair | |
Acyl-CoA (8-3)-desaturase
(Homo sapiens (Human)) | BDBM50245999
(CHEMBL4084502)Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(Cl)cc(c1)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H12ClFN2O2/c1-10-16(12-2-4-14(19)5-3-12)23-17(22)21(10)15-7-11(9-20)6-13(18)8-15/h2-8,10,16H,1H3/t10-,16+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.520 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]DGLA preincubated for 30 mins followed by [14C]eicosatrienoic acid add... |
J Med Chem 60: 8963-8981 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01210
BindingDB Entry DOI: 10.7270/Q23N25S7 |
More data for this
Ligand-Target Pair | |
Enteropeptidase
(Homo sapiens (Human)) | BDBM50595346
(CHEMBL5189108)Show SMILES NC(=N)Nc1ccc(C(=O)Oc2ccc(CC(=O)N[C@@H](CC(O)=O)C(O)=O)cc2)c(F)c1 |r| | PDB
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UniProtKB/SwissProt
B.MOAD
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.810 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00463
BindingDB Entry DOI: 10.7270/Q208699D |
More data for this
Ligand-Target Pair | |
Enteropeptidase
(Homo sapiens (Human)) | BDBM50595349
(CHEMBL5202756)Show SMILES OC(=O)C(F)(F)F.NC(=N)Nc1ccc(cc1)C(=O)Oc1cccc(c1)C(=O)N[C@@H](CC(O)=O)C(O)=O |r| | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.820 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00463
BindingDB Entry DOI: 10.7270/Q208699D |
More data for this
Ligand-Target Pair | |
Acyl-CoA (8-3)-desaturase
(Rattus norvegicus) | BDBM50245999
(CHEMBL4084502)Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(Cl)cc(c1)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H12ClFN2O2/c1-10-16(12-2-4-14(19)5-3-12)23-17(22)21(10)15-7-11(9-20)6-13(18)8-15/h2-8,10,16H,1H3/t10-,16+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ... |
J Med Chem 60: 8963-8981 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01210
BindingDB Entry DOI: 10.7270/Q23N25S7 |
More data for this
Ligand-Target Pair | |
Enteropeptidase
(Homo sapiens (Human)) | BDBM50595352
(CHEMBL5175180)Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1cccc(c1)C1=NO[C@@](CC(O)=O)(C1)C(O)=O |r,t:21| | PDB
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| MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00463
BindingDB Entry DOI: 10.7270/Q208699D |
More data for this
Ligand-Target Pair | |
Acyl-CoA (8-3)-desaturase
(Rattus norvegicus) | BDBM50245998
(CHEMBL4064555)Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(cc(c1)C#N)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C18H12FN3O2/c1-11-17(14-2-4-15(19)5-3-14)24-18(23)22(11)16-7-12(9-20)6-13(8-16)10-21/h2-8,11,17H,1H3/t11-,17+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ... |
J Med Chem 60: 8963-8981 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01210
BindingDB Entry DOI: 10.7270/Q23N25S7 |
More data for this
Ligand-Target Pair | |
Acyl-CoA (8-3)-desaturase
(Homo sapiens (Human)) | BDBM50245998
(CHEMBL4064555)Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(cc(c1)C#N)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C18H12FN3O2/c1-11-17(14-2-4-15(19)5-3-14)24-18(23)22(11)16-7-12(9-20)6-13(8-16)10-21/h2-8,11,17H,1H3/t11-,17+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]DGLA preincubated for 30 mins followed by [14C]eicosatrienoic acid add... |
J Med Chem 60: 8963-8981 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01210
BindingDB Entry DOI: 10.7270/Q23N25S7 |
More data for this
Ligand-Target Pair | |
Enteropeptidase
(Homo sapiens (Human)) | BDBM50595350
(CHEMBL5182597)Show SMILES OC(=O)C(F)(F)F.NC(=N)Nc1ccc(cc1)C(=O)Oc1cccc(CC(=O)N[C@@H](CC(O)=O)C(O)=O)c1 |r| | PDB
KEGG
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B.MOAD
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00463
BindingDB Entry DOI: 10.7270/Q208699D |
More data for this
Ligand-Target Pair | |
Enteropeptidase
(Homo sapiens (Human)) | BDBM50595353
(CHEMBL5179372)Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1cccc(c1)C1=NO[C@](CC(O)=O)(C1)C(O)=O |r,t:21| | PDB
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MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00463
BindingDB Entry DOI: 10.7270/Q208699D |
More data for this
Ligand-Target Pair | |
Enteropeptidase
(Homo sapiens (Human)) | BDBM50595351
(CHEMBL5200092)Show SMILES OC(=O)C(F)(F)F.NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(cc1)C(=O)N[C@@H](CC(O)=O)C(O)=O |r| | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00463
BindingDB Entry DOI: 10.7270/Q208699D |
More data for this
Ligand-Target Pair | |
Acyl-CoA (8-3)-desaturase
(Homo sapiens (Human)) | BDBM50246049
(CHEMBL4102458)Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(F)cc(c1)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H12F2N2O2/c1-10-16(12-2-4-13(18)5-3-12)23-17(22)21(10)15-7-11(9-20)6-14(19)8-15/h2-8,10,16H,1H3/t10-,16+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]DGLA preincubated for 30 mins followed by [14C]eicosatrienoic acid add... |
J Med Chem 60: 8963-8981 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01210
BindingDB Entry DOI: 10.7270/Q23N25S7 |
More data for this
Ligand-Target Pair | |
Acyl-CoA (8-3)-desaturase
(Rattus norvegicus) | BDBM50246049
(CHEMBL4102458)Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(F)cc(c1)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H12F2N2O2/c1-10-16(12-2-4-13(18)5-3-12)23-17(22)21(10)15-7-11(9-20)6-14(19)8-15/h2-8,10,16H,1H3/t10-,16+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ... |
J Med Chem 60: 8963-8981 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01210
BindingDB Entry DOI: 10.7270/Q23N25S7 |
More data for this
Ligand-Target Pair | |
Acyl-CoA (8-3)-desaturase
(Homo sapiens (Human)) | BDBM50246023
(CHEMBL4060775)Show InChI InChI=1S/C16H14FNO3/c1-20-14-4-2-3-13(9-14)18-10-15(21-16(18)19)11-5-7-12(17)8-6-11/h2-9,15H,10H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]DGLA preincubated for 30 mins followed by [14C]eicosatrienoic acid add... |
J Med Chem 60: 8963-8981 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01210
BindingDB Entry DOI: 10.7270/Q23N25S7 |
More data for this
Ligand-Target Pair | |
Acyl-CoA (8-3)-desaturase
(Rattus norvegicus) | BDBM50246000
(CHEMBL4070383)Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cccc(c1)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H13FN2O2/c1-11-16(13-5-7-14(18)8-6-13)22-17(21)20(11)15-4-2-3-12(9-15)10-19/h2-9,11,16H,1H3/t11-,16+/m0/s1 | Reactome pathway
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Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ... |
J Med Chem 60: 8963-8981 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01210
BindingDB Entry DOI: 10.7270/Q23N25S7 |
More data for this
Ligand-Target Pair | |
Acyl-CoA (8-3)-desaturase
(Rattus norvegicus) | BDBM50246000
(CHEMBL4070383)Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cccc(c1)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H13FN2O2/c1-11-16(13-5-7-14(18)8-6-13)22-17(21)20(11)15-4-2-3-12(9-15)10-19/h2-9,11,16H,1H3/t11-,16+/m0/s1 | Reactome pathway
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Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ... |
J Med Chem 60: 8963-8981 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01210
BindingDB Entry DOI: 10.7270/Q23N25S7 |
More data for this
Ligand-Target Pair | |
Enteropeptidase
(Homo sapiens (Human)) | BDBM50595345
(CHEMBL5182234)Show SMILES NC(=N)Nc1ccc(C(=O)Oc2ccc(CC(=O)N[C@@H](CC(O)=O)C(O)=O)cc2)c(Cl)c1 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00463
BindingDB Entry DOI: 10.7270/Q208699D |
More data for this
Ligand-Target Pair | |
Enteropeptidase
(Homo sapiens (Human)) | BDBM50595337
(CHEMBL5195621)Show SMILES Cl.NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CC(=O)N[C@@H](CC(O)=O)C(O)=O)cc1 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00463
BindingDB Entry DOI: 10.7270/Q208699D |
More data for this
Ligand-Target Pair | |
Enteropeptidase
(Homo sapiens (Human)) | BDBM50595346
(CHEMBL5189108)Show SMILES NC(=N)Nc1ccc(C(=O)Oc2ccc(CC(=O)N[C@@H](CC(O)=O)C(O)=O)cc2)c(F)c1 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00463
BindingDB Entry DOI: 10.7270/Q208699D |
More data for this
Ligand-Target Pair | |
Enteropeptidase
(Homo sapiens (Human)) | BDBM50595348
(CHEMBL5170585)Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc2[C@@H](CC(=O)N[C@@H](CC(O)=O)C(O)=O)COc2c1 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00463
BindingDB Entry DOI: 10.7270/Q208699D |
More data for this
Ligand-Target Pair | |
Enteropeptidase
(Homo sapiens (Human)) | BDBM50595342
(CHEMBL5170208)Show SMILES OC(=O)C(F)(F)F.NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CC(=O)N[C@@H](CCC(O)=O)C(O)=O)cc1 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00463
BindingDB Entry DOI: 10.7270/Q208699D |
More data for this
Ligand-Target Pair | |
Acyl-CoA (8-3)-desaturase
(Rattus norvegicus) | BDBM50246023
(CHEMBL4060775)Show InChI InChI=1S/C16H14FNO3/c1-20-14-4-2-3-13(9-14)18-10-15(21-16(18)19)11-5-7-12(17)8-6-11/h2-9,15H,10H2,1H3 | Reactome pathway
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Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ... |
J Med Chem 60: 8963-8981 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01210
BindingDB Entry DOI: 10.7270/Q23N25S7 |
More data for this
Ligand-Target Pair | |
Acyl-CoA (8-3)-desaturase
(Homo sapiens (Human)) | BDBM50246000
(CHEMBL4070383)Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cccc(c1)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H13FN2O2/c1-11-16(13-5-7-14(18)8-6-13)22-17(21)20(11)15-4-2-3-12(9-15)10-19/h2-9,11,16H,1H3/t11-,16+/m0/s1 | Reactome pathway
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| n/a | n/a | 8.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]DGLA preincubated for 30 mins followed by [14C]eicosatrienoic acid add... |
J Med Chem 60: 8963-8981 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01210
BindingDB Entry DOI: 10.7270/Q23N25S7 |
More data for this
Ligand-Target Pair | |
Acyl-CoA (8-3)-desaturase
(Homo sapiens (Human)) | BDBM50246000
(CHEMBL4070383)Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cccc(c1)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H13FN2O2/c1-11-16(13-5-7-14(18)8-6-13)22-17(21)20(11)15-4-2-3-12(9-15)10-19/h2-9,11,16H,1H3/t11-,16+/m0/s1 | Reactome pathway
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| n/a | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]DGLA preincubated for 30 mins followed by [14C]eicosatrienoic acid add... |
J Med Chem 60: 8963-8981 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01210
BindingDB Entry DOI: 10.7270/Q23N25S7 |
More data for this
Ligand-Target Pair | |
Acyl-CoA (8-3)-desaturase
(Rattus norvegicus) | BDBM50246076
(CHEMBL4063561)Show InChI InChI=1S/C16H13Cl2NO3/c17-12-7-13(18)14(20)6-11(12)8-19-9-15(22-16(19)21)10-4-2-1-3-5-10/h1-7,15,20H,8-9H2 | Reactome pathway
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Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ... |
J Med Chem 60: 8963-8981 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01210
BindingDB Entry DOI: 10.7270/Q23N25S7 |
More data for this
Ligand-Target Pair | |
Enteropeptidase
(Homo sapiens (Human)) | BDBM50595349
(CHEMBL5202756)Show SMILES OC(=O)C(F)(F)F.NC(=N)Nc1ccc(cc1)C(=O)Oc1cccc(c1)C(=O)N[C@@H](CC(O)=O)C(O)=O |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00463
BindingDB Entry DOI: 10.7270/Q208699D |
More data for this
Ligand-Target Pair | |
Acyl-CoA (8-3)-desaturase
(Rattus norvegicus) | BDBM50246045
(CHEMBL4090490)Show InChI InChI=1S/C17H16FNO4/c1-21-13-7-8-15(22-2)14(9-13)19-10-16(23-17(19)20)11-3-5-12(18)6-4-11/h3-9,16H,10H2,1-2H3 | Reactome pathway
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Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ... |
J Med Chem 60: 8963-8981 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01210
BindingDB Entry DOI: 10.7270/Q23N25S7 |
More data for this
Ligand-Target Pair | |
Enteropeptidase
(Homo sapiens (Human)) | BDBM50595347
(CHEMBL5169835)Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc2CC(CC(=O)N[C@@H](CC(O)=O)C(O)=O)Oc2c1 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00463
BindingDB Entry DOI: 10.7270/Q208699D |
More data for this
Ligand-Target Pair | |
Acyl-CoA (8-3)-desaturase
(Homo sapiens (Human)) | BDBM50246045
(CHEMBL4090490)Show InChI InChI=1S/C17H16FNO4/c1-21-13-7-8-15(22-2)14(9-13)19-10-16(23-17(19)20)11-3-5-12(18)6-4-11/h3-9,16H,10H2,1-2H3 | Reactome pathway
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Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]DGLA preincubated for 30 mins followed by [14C]eicosatrienoic acid add... |
J Med Chem 60: 8963-8981 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01210
BindingDB Entry DOI: 10.7270/Q23N25S7 |
More data for this
Ligand-Target Pair | |
Enteropeptidase
(Homo sapiens (Human)) | BDBM50595352
(CHEMBL5175180)Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1cccc(c1)C1=NO[C@@](CC(O)=O)(C1)C(O)=O |r,t:21| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00463
BindingDB Entry DOI: 10.7270/Q208699D |
More data for this
Ligand-Target Pair | |
Acyl-CoA (8-3)-desaturase
(Rattus norvegicus) | BDBM50246007
(CHEMBL4104260)Show InChI InChI=1S/C15H11ClFNO2/c16-11-2-1-3-13(8-11)18-9-14(20-15(18)19)10-4-6-12(17)7-5-10/h1-8,14H,9H2 | Reactome pathway
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Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ... |
J Med Chem 60: 8963-8981 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01210
BindingDB Entry DOI: 10.7270/Q23N25S7 |
More data for this
Ligand-Target Pair | |
Enteropeptidase
(Homo sapiens (Human)) | BDBM50595341
(CHEMBL5202535)Show SMILES OC(=O)C(F)(F)F.NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CC(=O)N[C@@H](CC(N)=O)C(O)=O)cc1 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00463
BindingDB Entry DOI: 10.7270/Q208699D |
More data for this
Ligand-Target Pair | |
Enteropeptidase
(Homo sapiens (Human)) | BDBM50595353
(CHEMBL5179372)Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1cccc(c1)C1=NO[C@](CC(O)=O)(C1)C(O)=O |r,t:21| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00463
BindingDB Entry DOI: 10.7270/Q208699D |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50102663
(CHEMBL3343037)Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCO Show InChI InChI=1S/C24H22N4O4/c1-31-21-13-19-20(14-22(21)32-12-11-29)25-15-26-23(19)27-17-7-9-18(10-8-17)28-24(30)16-5-3-2-4-6-16/h2-10,13-15,29H,11-12H2,1H3,(H,28,30)(H,25,26,27) | PDB
Reactome pathway
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human AURKB incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay |
Bioorg Med Chem 22: 6256-69 (2014)
Article DOI: 10.1016/j.bmc.2014.08.017
BindingDB Entry DOI: 10.7270/Q2SN0BR9 |
More data for this
Ligand-Target Pair | |
Bifunctional protein GlmU
(Escherichia coli) | BDBM50102673
(CHEMBL3341771)Show SMILES COc1cc(cc(c1)-c1c[nH]c(=O)[nH]c1=O)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1 Show InChI InChI=1S/C24H19N5O5/c1-34-18-11-14(19-13-26-24(33)29-22(19)31)10-15(12-18)21(30)27-16-5-7-17(8-6-16)28-23(32)20-4-2-3-9-25-20/h2-13H,1H3,(H,27,30)(H,28,32)(H2,26,29,31,33) | PDB
MMDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli ATCC 27325 GlmU expressed in Escherichia coli HMS174(DE3) incubated for 15 mins prior to MgCl2 addition measured after... |
Bioorg Med Chem 22: 6256-69 (2014)
Article DOI: 10.1016/j.bmc.2014.08.017
BindingDB Entry DOI: 10.7270/Q2SN0BR9 |
More data for this
Ligand-Target Pair | |
Enteropeptidase
(Homo sapiens (Human)) | BDBM50595340
(CHEMBL5173692)Show SMILES OC(=O)C(F)(F)F.NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CC(=O)NCC(O)=O)cc1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00463
BindingDB Entry DOI: 10.7270/Q208699D |
More data for this
Ligand-Target Pair | |
Enteropeptidase
(Homo sapiens (Human)) | BDBM50595350
(CHEMBL5182597)Show SMILES OC(=O)C(F)(F)F.NC(=N)Nc1ccc(cc1)C(=O)Oc1cccc(CC(=O)N[C@@H](CC(O)=O)C(O)=O)c1 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00463
BindingDB Entry DOI: 10.7270/Q208699D |
More data for this
Ligand-Target Pair | |
Acyl-CoA (8-3)-desaturase
(Rattus norvegicus) | BDBM50245997
(CHEMBL4072166)Show InChI InChI=1S/C15H12Cl2N2O2/c1-18-12-4-2-3-5-13(12)19(15(18)21)8-9-6-14(20)11(17)7-10(9)16/h2-7,20H,8H2,1H3 | Reactome pathway
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Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ... |
J Med Chem 60: 8963-8981 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01210
BindingDB Entry DOI: 10.7270/Q23N25S7 |
More data for this
Ligand-Target Pair | |
Acyl-CoA (8-3)-desaturase
(Rattus norvegicus) | BDBM50246047
(CHEMBL4097127)Show InChI InChI=1S/C20H21FN2O/c1-4-23-13-18(17-7-5-6-8-19(17)23)20(24)22(3)14(2)15-9-11-16(21)12-10-15/h5-14H,4H2,1-3H3 | Reactome pathway
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Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ... |
J Med Chem 60: 8963-8981 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01210
BindingDB Entry DOI: 10.7270/Q23N25S7 |
More data for this
Ligand-Target Pair | |
Acyl-CoA (8-3)-desaturase
(Rattus norvegicus) | BDBM50246065
(CHEMBL4066595)Show SMILES Fc1ccc(cc1)[C@H]1CN(C(=O)O1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C16H11FN2O2/c17-13-6-4-12(5-7-13)15-10-19(16(20)21-15)14-3-1-2-11(8-14)9-18/h1-8,15H,10H2/t15-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ... |
J Med Chem 60: 8963-8981 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01210
BindingDB Entry DOI: 10.7270/Q23N25S7 |
More data for this
Ligand-Target Pair | |
Acyl-CoA (8-3)-desaturase
(Rattus norvegicus) | BDBM50246022
(CHEMBL4080025)Show InChI InChI=1S/C15H11F2NO2/c16-11-6-4-10(5-7-11)14-9-18(15(19)20-14)13-3-1-2-12(17)8-13/h1-8,14H,9H2 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ... |
J Med Chem 60: 8963-8981 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01210
BindingDB Entry DOI: 10.7270/Q23N25S7 |
More data for this
Ligand-Target Pair | |
Enteropeptidase
(Homo sapiens (Human)) | BDBM50595344
(CHEMBL5182789)Show SMILES Cc1cc(NC(N)=N)ccc1C(=O)Oc1ccc(CC(=O)N[C@@H](CC(O)=O)C(O)=O)cc1 |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00463
BindingDB Entry DOI: 10.7270/Q208699D |
More data for this
Ligand-Target Pair | |
Acyl-CoA (8-3)-desaturase
(Homo sapiens (Human)) | BDBM50246007
(CHEMBL4104260)Show InChI InChI=1S/C15H11ClFNO2/c16-11-2-1-3-13(8-11)18-9-14(20-15(18)19)10-4-6-12(17)7-5-10/h1-8,14H,9H2 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]DGLA preincubated for 30 mins followed by [14C]eicosatrienoic acid add... |
J Med Chem 60: 8963-8981 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01210
BindingDB Entry DOI: 10.7270/Q23N25S7 |
More data for this
Ligand-Target Pair | |
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