Found 649 hits with Last Name = 'pochet' and Initial = 'l' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM82247
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1 | PDB
KEGG
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| Article PubMed
| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description Displacement of [3H]SCH23390 from human dopamine D1 receptor |
J Med Chem 54: 5320-34 (2011)
Article DOI: 10.1021/jm2006782 BindingDB Entry DOI: 10.7270/Q2RF5W11 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM10755
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 | PDB
Reactome pathway KEGG
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| Article PubMed
| 0.130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from human 5HT7 receptor |
J Med Chem 54: 5320-34 (2011)
Article DOI: 10.1021/jm2006782 BindingDB Entry DOI: 10.7270/Q2RF5W11 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM21393
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3 | PDB
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| Article PubMed
| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor |
J Med Chem 54: 5320-34 (2011)
Article DOI: 10.1021/jm2006782 BindingDB Entry DOI: 10.7270/Q2RF5W11 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM21395
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1 Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29) | PDB MMDB
Reactome pathway KEGG
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| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description Displacement of [3H]ketanserin from human 5HT2A receptor |
J Med Chem 54: 5320-34 (2011)
Article DOI: 10.1021/jm2006782 BindingDB Entry DOI: 10.7270/Q2RF5W11 |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1A
(Homo sapiens (Human)) | BDBM9019
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16) | PDB
Reactome pathway KEGG
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| 0.370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description Displacement of [125I]2-iodomelatonin from human MT1 receptor |
J Med Chem 54: 5320-34 (2011)
Article DOI: 10.1021/jm2006782 BindingDB Entry DOI: 10.7270/Q2RF5W11 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50366495
((+)butaclamol | CHEMBL1255588)Show SMILES CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc([C@H]2C1)c34 |r| Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m1/s1 | PDB
Reactome pathway KEGG
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| Article PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description Displacement of [3H]methyl-spiperone from human dopamine D2s receptor |
J Med Chem 54: 5320-34 (2011)
Article DOI: 10.1021/jm2006782 BindingDB Entry DOI: 10.7270/Q2RF5W11 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50010859
(CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...)Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3 | PDB
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| DrugBank PDB Article PubMed
| 0.770 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description Displacement of [3H]imipramine from human 5HT transporter |
J Med Chem 54: 5320-34 (2011)
Article DOI: 10.1021/jm2006782 BindingDB Entry DOI: 10.7270/Q2RF5W11 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM28582
(1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine | CHE...)Show InChI InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3 | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description Displacement of [125I](+/-)-DOI from human 5HT2B receptor |
J Med Chem 54: 5320-34 (2011)
Article DOI: 10.1021/jm2006782 BindingDB Entry DOI: 10.7270/Q2RF5W11 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50005534
(1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)piperidine ...)Show InChI InChI=1S/C19H25NS/c1-5-11-19(12-6-1,20-13-7-2-8-14-20)18-15-16-9-3-4-10-17(16)21-18/h3-4,9-10,15H,1-2,5-8,11-14H2 | NCI pathway Reactome pathway KEGG
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| Article PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description Displacement of [3H]BTCP from human DA transporter |
J Med Chem 54: 5320-34 (2011)
Article DOI: 10.1021/jm2006782 BindingDB Entry DOI: 10.7270/Q2RF5W11 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50176062
(3-(5H-dibenzo[a,d][7]annulen-5-yl)-N-methylpropan-...)Show InChI InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-10,12-13,19-20H,6,11,14H2,1H3 | PDB
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description Displacement of [3H]nisoxetine from human NE transporter |
J Med Chem 54: 5320-34 (2011)
Article DOI: 10.1021/jm2006782 BindingDB Entry DOI: 10.7270/Q2RF5W11 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM82561
(CAS_40796-97-2 | TROPANYL 3,5-DICHLOROBENZOATE | T...)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C15H17Cl2NO2/c1-18-12-2-3-13(18)8-14(7-12)20-15(19)9-4-10(16)6-11(17)5-9/h4-6,12-14H,2-3,7-8H2,1H3/t12-,13+,14+ | PDB
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| Article PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description Displacement of [3H]BRL43694 from human 5HT3 receptor |
J Med Chem 54: 5320-34 (2011)
Article DOI: 10.1021/jm2006782 BindingDB Entry DOI: 10.7270/Q2RF5W11 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM10755
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 | PDB
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description Displacement of [125I]CYP from human 5HT1B receptor |
J Med Chem 54: 5320-34 (2011)
Article DOI: 10.1021/jm2006782 BindingDB Entry DOI: 10.7270/Q2RF5W11 |
More data for this Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM100152
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3 | PDB
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| PDB Article PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description Inhibition of MAO-A |
J Med Chem 54: 5320-34 (2011)
Article DOI: 10.1021/jm2006782 BindingDB Entry DOI: 10.7270/Q2RF5W11 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50369774
(SEPIMOSTAT MESYLATE | Sepimostat)Show SMILES NC(=N)c1ccc2cc(OC(=O)c3ccc(NC4=NCCN4)cc3)ccc2c1 |t:17| Show InChI InChI=1S/C21H19N5O2/c22-19(23)16-2-1-15-12-18(8-5-14(15)11-16)28-20(27)13-3-6-17(7-4-13)26-21-24-9-10-25-21/h1-8,11-12H,9-10H2,(H3,22,23)(H2,24,25,26) | PDB
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Non-competitive inhibition of factor 12a (unknown origin) using BQGR as substrate |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112753 BindingDB Entry DOI: 10.7270/Q2542S7Z |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50303488
(6-methyl-2-oxo-2H-chromene-3-carboxylic acid | CHE...)Show InChI InChI=1S/C11H8O4/c1-6-2-3-9-7(4-6)5-8(10(12)13)11(14)15-9/h2-5H,1H3,(H,12,13) | PDB MMDB
Reactome pathway KEGG
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| Article PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 7 by stopped flow CO2 hydration assay |
J Med Chem 53: 335-44 (2010)
Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5 |
More data for this Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM11022
(2,3-dihydro-1H-indole-2,3-dione | CHEMBL326294 | I...)Show InChI InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11) | PDB
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| PDB Article PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description Inhibition of MAO-B |
J Med Chem 54: 5320-34 (2011)
Article DOI: 10.1021/jm2006782 BindingDB Entry DOI: 10.7270/Q2RF5W11 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 14
(Homo sapiens (Human)) | BDBM50303498
(1-(2-Oxo-2H-chromen-6-ylmethyl)-3,5,7-triaza-1-azo...)Show SMILES O=c1ccc2cc(C[N+]34CN5CN(CN(C5)C3)C4)ccc2o1 |TLB:15:14:17:10.9.11,15:10:17:14.16.13,THB:9:8:10.11.15:13,9:10:8.16.17:13| Show InChI InChI=1S/C16H19N4O2/c21-16-4-2-14-5-13(1-3-15(14)22-16)6-20-10-17-7-18(11-20)9-19(8-17)12-20/h1-5H,6-12H2/q+1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 14 by stopped flow CO2 hydration assay |
J Med Chem 53: 335-44 (2010)
Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 14
(Homo sapiens (Human)) | BDBM50303494
(CHEMBL568173 | ethyl 6-(hydroxymethyl)-2-oxo-2H-ch...)Show InChI InChI=1S/C13H12O5/c1-2-17-12(15)10-6-9-5-8(7-14)3-4-11(9)18-13(10)16/h3-6,14H,2,7H2,1H3 | PDB
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| Article PubMed
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 14 by stopped flow CO2 hydration assay |
J Med Chem 53: 335-44 (2010)
Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 14
(Homo sapiens (Human)) | BDBM50303493
(CHEMBL567896 | methyl 6-(hydroxymethyl)-2-oxo-2H-c...)Show InChI InChI=1S/C12H10O5/c1-16-11(14)9-5-8-4-7(6-13)2-3-10(8)17-12(9)15/h2-5,13H,6H2,1H3 | PDB
Reactome pathway KEGG
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| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 14 by stopped flow CO2 hydration assay |
J Med Chem 53: 335-44 (2010)
Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 13
(Mus musculus (mouse)) | BDBM50303495
(CHEMBL568385 | ethyl 7-methoxy-2-oxo-2H-chromene-3...)Show InChI InChI=1S/C13H12O5/c1-3-17-12(14)10-6-8-4-5-9(16-2)7-11(8)18-13(10)15/h4-7H,3H2,1-2H3 | PDB MMDB
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| Article PubMed
| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of mouse carbonic anhydrase 13 by stopped flow CO2 hydration assay |
J Med Chem 53: 335-44 (2010)
Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 13
(Mus musculus (mouse)) | BDBM50022188
(7-Methoxy-2-oxo-2H-chromene-4-carboxylic acid | CH...)Show InChI InChI=1S/C11H8O5/c1-15-6-2-3-7-8(11(13)14)5-10(12)16-9(7)4-6/h2-5H,1H3,(H,13,14) | PDB MMDB
Reactome pathway KEGG
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| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of mouse carbonic anhydrase 13 by stopped flow CO2 hydration assay |
J Med Chem 53: 335-44 (2010)
Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 14
(Homo sapiens (Human)) | BDBM50303497
(6-(aminomethyl)-2H-chromen-2-one | CHEMBL567139)Show InChI InChI=1S/C10H9NO2/c11-6-7-1-3-9-8(5-7)2-4-10(12)13-9/h1-5H,6,11H2 | PDB
Reactome pathway KEGG
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| Article PubMed
| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 14 by stopped flow CO2 hydration assay |
J Med Chem 53: 335-44 (2010)
Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 15
(Mus musculus) | BDBM50303494
(CHEMBL568173 | ethyl 6-(hydroxymethyl)-2-oxo-2H-ch...)Show InChI InChI=1S/C13H12O5/c1-2-17-12(15)10-6-9-5-8(7-14)3-4-11(9)18-13(10)16/h3-6,14H,2,7H2,1H3 | KEGG
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| Article PubMed
| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of mouse carbonic anhydrase 15 by stopped flow CO2 hydration assay |
J Med Chem 53: 335-44 (2010)
Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 13
(Mus musculus (mouse)) | BDBM50303496
(6-(hydroxymethyl)-2H-chromen-2-one | CHEMBL571738)Show InChI InChI=1S/C10H8O3/c11-6-7-1-3-9-8(5-7)2-4-10(12)13-9/h1-5,11H,6H2 | PDB MMDB
Reactome pathway KEGG
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| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of mouse carbonic anhydrase 13 by stopped flow CO2 hydration assay |
J Med Chem 53: 335-44 (2010)
Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 13
(Mus musculus (mouse)) | BDBM50303494
(CHEMBL568173 | ethyl 6-(hydroxymethyl)-2-oxo-2H-ch...)Show InChI InChI=1S/C13H12O5/c1-2-17-12(15)10-6-9-5-8(7-14)3-4-11(9)18-13(10)16/h3-6,14H,2,7H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of mouse carbonic anhydrase 13 by stopped flow CO2 hydration assay |
J Med Chem 53: 335-44 (2010)
Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 14
(Homo sapiens (Human)) | BDBM50303491
(8-methoxy-2-oxo-2H-chromene-3-carboxylic acid | CH...)Show InChI InChI=1S/C11H8O5/c1-15-8-4-2-3-6-5-7(10(12)13)11(14)16-9(6)8/h2-5H,1H3,(H,12,13) | PDB
Reactome pathway KEGG
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| Article PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 14 by stopped flow CO2 hydration assay |
J Med Chem 53: 335-44 (2010)
Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50303488
(6-methyl-2-oxo-2H-chromene-3-carboxylic acid | CHE...)Show InChI InChI=1S/C11H8O4/c1-6-2-3-9-7(4-6)5-8(10(12)13)11(14)15-9/h2-5H,1H3,(H,12,13) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay |
J Med Chem 53: 335-44 (2010)
Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 14
(Homo sapiens (Human)) | BDBM12342
(2H-chromen-2-one | CHEMBL6466 | Coumarin)Show InChI InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H | PDB
Reactome pathway KEGG
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| Article PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 14 by stopped flow CO2 hydration assay |
J Med Chem 53: 335-44 (2010)
Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50303489
(6-methoxy-2-oxo-2H-chromene-3-carboxylic acid | CH...)Show InChI InChI=1S/C11H8O5/c1-15-7-2-3-9-6(4-7)5-8(10(12)13)11(14)16-9/h2-5H,1H3,(H,12,13) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydration assay |
J Med Chem 53: 335-44 (2010)
Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50303491
(8-methoxy-2-oxo-2H-chromene-3-carboxylic acid | CH...)Show InChI InChI=1S/C11H8O5/c1-15-8-4-2-3-6-5-7(10(12)13)11(14)16-9(6)8/h2-5H,1H3,(H,12,13) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 66 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydration assay |
J Med Chem 53: 335-44 (2010)
Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50300203
((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...)Show InChI InChI=1S/C15H18O4/c1-9(2)6-12(16)11-7-10-4-5-15(17)19-13(10)8-14(11)18-3/h4-5,7-9,12,16H,6H2,1-3H3/t12-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 78 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydration assay |
J Med Chem 53: 335-44 (2010)
Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM10755
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 | PDB
Reactome pathway KEGG
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| PDB Article PubMed
| 84 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from human 5HT6 receptor |
J Med Chem 54: 5320-34 (2011)
Article DOI: 10.1021/jm2006782 BindingDB Entry DOI: 10.7270/Q2RF5W11 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 13
(Mus musculus (mouse)) | BDBM50303498
(1-(2-Oxo-2H-chromen-6-ylmethyl)-3,5,7-triaza-1-azo...)Show SMILES O=c1ccc2cc(C[N+]34CN5CN(CN(C5)C3)C4)ccc2o1 |TLB:15:14:17:10.9.11,15:10:17:14.16.13,THB:9:8:10.11.15:13,9:10:8.16.17:13| Show InChI InChI=1S/C16H19N4O2/c21-16-4-2-14-5-13(1-3-15(14)22-16)6-20-10-17-7-18(11-20)9-19(8-17)12-20/h1-5H,6-12H2/q+1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 93 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of mouse carbonic anhydrase 13 by stopped flow CO2 hydration assay |
J Med Chem 53: 335-44 (2010)
Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5 |
More data for this Ligand-Target Pair | |
Trypsin
(Homo sapiens (Human)) | BDBM50369774
(SEPIMOSTAT MESYLATE | Sepimostat)Show SMILES NC(=N)c1ccc2cc(OC(=O)c3ccc(NC4=NCCN4)cc3)ccc2c1 |t:17| Show InChI InChI=1S/C21H19N5O2/c22-19(23)16-2-1-15-12-18(8-5-14(15)11-16)28-20(27)13-3-6-17(7-4-13)26-21-24-9-10-25-21/h1-8,11-12H,9-10H2,(H3,22,23)(H2,24,25,26) | PDB
KEGG
UniProtKB/SwissProt
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| 97 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Competitive inhibition of trypsin (unknown origin) using BFSR as substrate |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112753 BindingDB Entry DOI: 10.7270/Q2542S7Z |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50300203
((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...)Show InChI InChI=1S/C15H18O4/c1-9(2)6-12(16)11-7-10-4-5-15(17)19-13(10)8-14(11)18-3/h4-5,7-9,12,16H,6H2,1-3H3/t12-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 7 by stopped flow CO2 hydration assay |
J Med Chem 53: 335-44 (2010)
Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50303497
(6-(aminomethyl)-2H-chromen-2-one | CHEMBL567139)Show InChI InChI=1S/C10H9NO2/c11-6-7-1-3-9-8(5-7)2-4-10(12)13-9/h1-5H,6,11H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL PC cid PC sid UniChem
| Article PubMed
| 99 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydration assay |
J Med Chem 53: 335-44 (2010)
Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 6
(Homo sapiens (Human)) | BDBM50303498
(1-(2-Oxo-2H-chromen-6-ylmethyl)-3,5,7-triaza-1-azo...)Show SMILES O=c1ccc2cc(C[N+]34CN5CN(CN(C5)C3)C4)ccc2o1 |TLB:15:14:17:10.9.11,15:10:17:14.16.13,THB:9:8:10.11.15:13,9:10:8.16.17:13| Show InChI InChI=1S/C16H19N4O2/c21-16-4-2-14-5-13(1-3-15(14)22-16)6-20-10-17-7-18(11-20)9-19(8-17)12-20/h1-5H,6-12H2/q+1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration assay |
J Med Chem 53: 335-44 (2010)
Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5 |
More data for this Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50063698
(4-Guanidino-benzoic acid 6-carbamimidoyl-naphthale...)Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc2cc(ccc2c1)-[#6](-[#7])=[#7] Show InChI InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24) | PDB
UniProtKB/SwissProt
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| Article PubMed
| 105 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human factor 12a using chromogenic substrate by Lineweaver-Burk analysis |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112753 BindingDB Entry DOI: 10.7270/Q2542S7Z |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM25753
(2-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl...)Show InChI InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18) | PDB
Reactome pathway KEGG
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| DrugBank Article PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description Displacement of [3H](-)-CGP12177 from human adrenergic beta1 receptor |
J Med Chem 54: 5320-34 (2011)
Article DOI: 10.1021/jm2006782 BindingDB Entry DOI: 10.7270/Q2RF5W11 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 5A
(Homo sapiens (Human)) | BDBM10755
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 | PDB
KEGG
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| Article PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from human 5HT5A receptor |
J Med Chem 54: 5320-34 (2011)
Article DOI: 10.1021/jm2006782 BindingDB Entry DOI: 10.7270/Q2RF5W11 |
More data for this Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50287780
((S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidine...)Show SMILES N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CCl Show InChI InChI=1S/C21H31ClN6O3/c22-13-18(29)16(8-4-10-26-21(24)25)27-19(30)17-9-5-11-28(17)20(31)15(23)12-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13,23H2,(H,27,30)(H4,24,25,26)/t15-,16+,17+/m1/s1 | PDB
UniProtKB/SwissProt
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| Article PubMed
| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human factor 12a using H-D-Pro-Phe-Arg-pNa as substrate by spectrophotometric method |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112753 BindingDB Entry DOI: 10.7270/Q2542S7Z |
More data for this Ligand-Target Pair | |
Chymotrypsinogen A
(Bos taurus (bovine)) | BDBM50051763
(2-iodophenyl 6-(chloromethyl)-2-oxo-2H-chromene-3-...)Show InChI InChI=1S/C17H10ClIO4/c18-9-10-5-6-14-11(7-10)8-12(16(20)22-14)17(21)23-15-4-2-1-3-13(15)19/h1-8H,9H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Liège
Curated by ChEMBL
| Assay Description Compound was tested for the binding affinity against alpha-chymotrypsin |
J Med Chem 39: 2579-85 (1996)
Article DOI: 10.1021/jm960090b BindingDB Entry DOI: 10.7270/Q2QJ7GC1 |
More data for this Ligand-Target Pair | |
Chymotrypsinogen A
(Bos taurus (bovine)) | BDBM23563
(3-Carboxylate-coumarin deriv., 3 | CHEMBL13357 | p...)Show InChI InChI=1S/C17H11ClO4/c18-10-11-6-7-15-12(8-11)9-14(17(20)22-15)16(19)21-13-4-2-1-3-5-13/h1-9H,10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Liège
Curated by ChEMBL
| Assay Description Compound was tested for the binding affinity against alpha-chymotrypsin |
J Med Chem 39: 2579-85 (1996)
Article DOI: 10.1021/jm960090b BindingDB Entry DOI: 10.7270/Q2QJ7GC1 |
More data for this Ligand-Target Pair | |
Chymotrypsinogen A
(Bos taurus (bovine)) | BDBM50051762
(6-Chloromethyl-2-oxo-2H-chromene-3-carboxylic acid...)Show InChI InChI=1S/C18H13ClO4/c1-11-4-2-3-5-15(11)22-17(20)14-9-13-8-12(10-19)6-7-16(13)23-18(14)21/h2-9H,10H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Liège
Curated by ChEMBL
| Assay Description Compound was tested for the binding affinity against alpha-chymotrypsin |
J Med Chem 39: 2579-85 (1996)
Article DOI: 10.1021/jm960090b BindingDB Entry DOI: 10.7270/Q2QJ7GC1 |
More data for this Ligand-Target Pair | |
Chymotrypsinogen A
(Bos taurus (bovine)) | BDBM50051761
(2-chlorophenyl 6-(chloromethyl)-2-oxo-2H-chromene-...)Show InChI InChI=1S/C17H10Cl2O4/c18-9-10-5-6-14-11(7-10)8-12(16(20)22-14)17(21)23-15-4-2-1-3-13(15)19/h1-8H,9H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 790 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Liège
Curated by ChEMBL
| Assay Description Compound was tested for the binding affinity against alpha-chymotrypsin |
J Med Chem 39: 2579-85 (1996)
Article DOI: 10.1021/jm960090b BindingDB Entry DOI: 10.7270/Q2QJ7GC1 |
More data for this Ligand-Target Pair | |
Trypsin
(Homo sapiens (Human)) | BDBM50556155
(CHEMBL4740892) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of trypsin (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112753 BindingDB Entry DOI: 10.7270/Q2542S7Z |
More data for this Ligand-Target Pair | |
Tryptophan 2,3-dioxygenase
(Homo sapiens (Human)) | BDBM50289137
(6-Fluoro-3-((E)-2-pyridin-3-yl-vinyl)-1H-indole | ...)Show InChI InChI=1S/C15H11FN2/c16-13-5-6-14-12(10-18-15(14)8-13)4-3-11-2-1-7-17-9-11/h1-10,18H/b4-3+ | PDB
Reactome pathway KEGG
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Similars
| Article PubMed
| 880 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description Competitive inhibition of human recombinant TDO expressed in Escherichia coli BL21 using L-tryptophan as substrate by measuring conversion of N-formy... |
J Med Chem 54: 5320-34 (2011)
Article DOI: 10.1021/jm2006782 BindingDB Entry DOI: 10.7270/Q2RF5W11 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 15
(Mus musculus) | BDBM50303500
(7-ethoxy-2H-1-benzopyran-2-one | 7-ethoxycoumarin ...)Show InChI InChI=1S/C11H10O3/c1-2-13-9-5-3-8-4-6-11(12)14-10(8)7-9/h3-7H,2H2,1H3 | KEGG
UniProtKB/SwissProt
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| Article PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of mouse carbonic anhydrase 15 by stopped flow CO2 hydration assay |
J Med Chem 53: 335-44 (2010)
Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 6
(Homo sapiens (Human)) | BDBM50303497
(6-(aminomethyl)-2H-chromen-2-one | CHEMBL567139)Show InChI InChI=1S/C10H9NO2/c11-6-7-1-3-9-8(5-7)2-4-10(12)13-9/h1-5H,6,11H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration assay |
J Med Chem 53: 335-44 (2010)
Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50303497
(6-(aminomethyl)-2H-chromen-2-one | CHEMBL567139)Show InChI InChI=1S/C10H9NO2/c11-6-7-1-3-9-8(5-7)2-4-10(12)13-9/h1-5H,6,11H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 12 by stopped flow CO2 hydration assay |
J Med Chem 53: 335-44 (2010)
Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5 |
More data for this Ligand-Target Pair | |