Found 415 hits with Last Name = 'crocetti' 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 |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50094037
(2-Furan-2-yl-7-[3-(4-methoxy-phenyl)-propyl]-7H-py...)Show SMILES COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 Show InChI InChI=1S/C20H19N7O2/c1-28-14-8-6-13(7-9-14)4-2-10-26-18-15(12-22-26)19-23-17(16-5-3-11-29-16)25-27(19)20(21)24-18/h3,5-9,11-12H,2,4,10H2,1H3,(H2,21,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| >0.0480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Scienze Farmaceutiche
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A2a receptor |
Bioorg Med Chem 18: 7890-9 (2010)
Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM10882
(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length CA7 by stopped flow CO2 hydration assay |
Bioorg Med Chem Lett 19: 1371-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.038 BindingDB Entry DOI: 10.7270/Q2JW8FS8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50037971
(CHEMBL3359414)Show SMILES CCc1nc2c(c(nn(Cc3ccccc3)c2=O)C2CCC2)c2cc(nn12)-c1ccccc1 Show InChI InChI=1S/C27H25N5O/c1-2-23-28-26-24(22-16-21(29-32(22)23)19-12-7-4-8-13-19)25(20-14-9-15-20)30-31(27(26)33)17-18-10-5-3-6-11-18/h3-8,10-13,16,20H,2,9,14-15,17H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins |
Eur J Med Chem 89: 32-41 (2014)
Article DOI: 10.1016/j.ejmech.2014.10.020 BindingDB Entry DOI: 10.7270/Q2KP83SC |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50038004
(CHEMBL3359412)Show SMILES O=c1n(Cc2ccccc2)nc(C2CCC2)c2c3cc(nn3cnc12)-c1ccccc1 Show InChI InChI=1S/C25H21N5O/c31-25-24-22(21-14-20(27-30(21)16-26-24)18-10-5-2-6-11-18)23(19-12-7-13-19)28-29(25)15-17-8-3-1-4-9-17/h1-6,8-11,14,16,19H,7,12-13,15H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins |
Eur J Med Chem 89: 32-41 (2014)
Article DOI: 10.1016/j.ejmech.2014.10.020 BindingDB Entry DOI: 10.7270/Q2KP83SC |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50039951
(2-(4-Methoxy-phenyl)-5H-[1,2,4]triazolo[1,5-a]quin...)Show InChI InChI=1S/C16H12N4O2/c1-22-11-8-6-10(7-9-11)14-18-15-16(21)17-12-4-2-3-5-13(12)20(15)19-14/h2-9H,1H3,(H,17,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Scienze Farmaceutiche
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A3 receptor |
Bioorg Med Chem 18: 7890-9 (2010)
Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM10881
(CHEMBL288100 | MZA3 | Methazolamide | Methazolamid...)Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length CA7 by stopped flow CO2 hydration assay |
Bioorg Med Chem Lett 19: 1371-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.038 BindingDB Entry DOI: 10.7270/Q2JW8FS8 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50038025
(CHEMBL3359421)Show SMILES S=c1n(Cc2ccccc2)nc(C2CCC2)c2c3cc(nn3cnc12)-c1ccccc1 Show InChI InChI=1S/C25H21N5S/c31-25-24-22(21-14-20(27-30(21)16-26-24)18-10-5-2-6-11-18)23(19-12-7-13-19)28-29(25)15-17-8-3-1-4-9-17/h1-6,8-11,14,16,19H,7,12-13,15H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins |
Eur J Med Chem 89: 32-41 (2014)
Article DOI: 10.1016/j.ejmech.2014.10.020 BindingDB Entry DOI: 10.7270/Q2KP83SC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | PDB MMDB
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
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length CA7 by stopped flow CO2 hydration assay |
Bioorg Med Chem Lett 19: 1371-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.038 BindingDB Entry DOI: 10.7270/Q2JW8FS8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM21173
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins |
Eur J Med Chem 89: 32-41 (2014)
Article DOI: 10.1016/j.ejmech.2014.10.020 BindingDB Entry DOI: 10.7270/Q2KP83SC |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM21173
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Scienze Farmaceutiche
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem 18: 7890-9 (2010)
Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM10881
(CHEMBL288100 | MZA3 | Methazolamide | Methazolamid...)Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CA12 catalytic domain by stopped flow CO2 hydration assay |
Bioorg Med Chem Lett 19: 1371-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.038 BindingDB Entry DOI: 10.7270/Q2JW8FS8 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50038029
(CHEMBL3359413)Show SMILES Cc1nc2c(c(nn(Cc3ccccc3)c2=O)C2CCC2)c2cc(nn12)-c1ccccc1 Show InChI InChI=1S/C26H23N5O/c1-17-27-25-23(22-15-21(28-31(17)22)19-11-6-3-7-12-19)24(20-13-8-14-20)29-30(26(25)32)16-18-9-4-2-5-10-18/h2-7,9-12,15,20H,8,13-14,16H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins |
Eur J Med Chem 89: 32-41 (2014)
Article DOI: 10.1016/j.ejmech.2014.10.020 BindingDB Entry DOI: 10.7270/Q2KP83SC |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50038005
(CHEMBL3359411)Show SMILES CCc1nc2c(c(nn(Cc3ccccc3)c2=O)C2CCCC2)c2cc(nn12)-c1ccccc1 Show InChI InChI=1S/C28H27N5O/c1-2-24-29-27-25(23-17-22(30-33(23)24)20-13-7-4-8-14-20)26(21-15-9-10-16-21)31-32(28(27)34)18-19-11-5-3-6-12-19/h3-8,11-14,17,21H,2,9-10,15-16,18H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins |
Eur J Med Chem 89: 32-41 (2014)
Article DOI: 10.1016/j.ejmech.2014.10.020 BindingDB Entry DOI: 10.7270/Q2KP83SC |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50038026
(CHEMBL3359420)Show SMILES CCc1nc2c(c(nn(Cc3ccccc3)c2=S)C2CCCC2)c2cc(nn12)-c1ccccc1 Show InChI InChI=1S/C28H27N5S/c1-2-24-29-27-25(23-17-22(30-33(23)24)20-13-7-4-8-14-20)26(21-15-9-10-16-21)31-32(28(27)34)18-19-11-5-3-6-12-19/h3-8,11-14,17,21H,2,9-10,15-16,18H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins |
Eur J Med Chem 89: 32-41 (2014)
Article DOI: 10.1016/j.ejmech.2014.10.020 BindingDB Entry DOI: 10.7270/Q2KP83SC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | PDB MMDB
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
| PDB Article PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CA12 catalytic domain by stopped flow CO2 hydration assay |
Bioorg Med Chem Lett 19: 1371-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.038 BindingDB Entry DOI: 10.7270/Q2JW8FS8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50586618
(CHEMBL5078775) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human neutrophil elastase |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128380 BindingDB Entry DOI: 10.7270/Q28919SM |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50586617
(CHEMBL5088711) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human neutrophil elastase |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128380 BindingDB Entry DOI: 10.7270/Q28919SM |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50037975
(CHEMBL379204)Show SMILES Cc1nc2c(c(nn(Cc3ccccc3)c2=O)C2CCCC2)c2cc(nn12)-c1ccccc1 Show InChI InChI=1S/C27H25N5O/c1-18-28-26-24(23-16-22(29-32(18)23)20-12-6-3-7-13-20)25(21-14-8-9-15-21)30-31(27(26)33)17-19-10-4-2-5-11-19/h2-7,10-13,16,21H,8-9,14-15,17H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins |
Eur J Med Chem 89: 32-41 (2014)
Article DOI: 10.1016/j.ejmech.2014.10.020 BindingDB Entry DOI: 10.7270/Q2KP83SC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50248167
(2-(1,3-thiazol-4-yl)-1H-benzimidazole-5-sulfonamid...)Show InChI InChI=1S/C10H8N4O2S2/c11-18(15,16)6-1-2-7-8(3-6)14-10(13-7)9-4-17-5-12-9/h1-5H,(H,13,14)(H2,11,15,16) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
| Article PubMed
| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CA9 catalytic domain by stopped flow CO2 hydration assay |
Bioorg Med Chem Lett 19: 1371-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.038 BindingDB Entry DOI: 10.7270/Q2JW8FS8 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM25904
(2-(hydrazinecarbonyl)-3-phenyl-1H-indole-5-sulfona...)Show SMILES NNC(=O)c1[nH]c2ccc(cc2c1-c1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C15H14N4O3S/c16-19-15(20)14-13(9-4-2-1-3-5-9)11-8-10(23(17,21)22)6-7-12(11)18-14/h1-8,18H,16H2,(H,19,20)(H2,17,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length CA2 expressed in Escherichia coli BL21 (DE3) by stopped flow CO2 hydration assay |
Bioorg Med Chem Lett 19: 1371-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.038 BindingDB Entry DOI: 10.7270/Q2JW8FS8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM25904
(2-(hydrazinecarbonyl)-3-phenyl-1H-indole-5-sulfona...)Show SMILES NNC(=O)c1[nH]c2ccc(cc2c1-c1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C15H14N4O3S/c16-19-15(20)14-13(9-4-2-1-3-5-9)11-8-10(23(17,21)22)6-7-12(11)18-14/h1-8,18H,16H2,(H,19,20)(H2,17,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length CA1 expressed in Escherichia coli BL21 (DE3) by stopped flow CO2 hydration assay |
Bioorg Med Chem Lett 19: 1371-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.038 BindingDB Entry DOI: 10.7270/Q2JW8FS8 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM10882
(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length CA2 expressed in Escherichia coli BL21 (DE3) by stopped flow CO2 hydration assay |
Bioorg Med Chem Lett 19: 1371-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.038 BindingDB Entry DOI: 10.7270/Q2JW8FS8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50038031
(CHEMBL3359408)Show SMILES Cc1nc2c(c(nn(Cc3ccccc3)c2=O)C2CCCCC2)c2cc(nn12)-c1ccccc1 Show InChI InChI=1S/C28H27N5O/c1-19-29-27-25(24-17-23(30-33(19)24)21-13-7-3-8-14-21)26(22-15-9-4-10-16-22)31-32(28(27)34)18-20-11-5-2-6-12-20/h2-3,5-8,11-14,17,22H,4,9-10,15-16,18H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins |
Eur J Med Chem 89: 32-41 (2014)
Article DOI: 10.1016/j.ejmech.2014.10.020 BindingDB Entry DOI: 10.7270/Q2KP83SC |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50038028
(CHEMBL3359415)Show SMILES S=c1n(Cc2ccccc2)nc(C2CCCCC2)c2c3cc(nn3cnc12)-c1ccccc1 Show InChI InChI=1S/C27H25N5S/c33-27-26-24(23-16-22(29-32(23)18-28-26)20-12-6-2-7-13-20)25(21-14-8-3-9-15-21)30-31(27)17-19-10-4-1-5-11-19/h1-2,4-7,10-13,16,18,21H,3,8-9,14-15,17H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins |
Eur J Med Chem 89: 32-41 (2014)
Article DOI: 10.1016/j.ejmech.2014.10.020 BindingDB Entry DOI: 10.7270/Q2KP83SC |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50330632
(3-Benzyl-9-phenyl-1-pyridin-4-yl-pyrazolo[1',5':1,...)Show SMILES O=c1n(Cc2ccccc2)nc(-c2ccncc2)c2c3cc(nn3cnc12)-c1ccccc1 Show InChI InChI=1S/C26H18N6O/c33-26-25-23(22-15-21(29-32(22)17-28-25)19-9-5-2-6-10-19)24(20-11-13-27-14-12-20)30-31(26)16-18-7-3-1-4-8-18/h1-15,17H,16H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL 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 |
Dipartimento di Scienze Farmaceutiche
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem 18: 7890-9 (2010)
Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 6
(Homo sapiens (Human)) | BDBM10881
(CHEMBL288100 | MZA3 | Methazolamide | Methazolamid...)Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
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| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length CA6 by stopped flow CO2 hydration assay |
Bioorg Med Chem Lett 19: 1371-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.038 BindingDB Entry DOI: 10.7270/Q2JW8FS8 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50330631
(3-Benzyl-9-phenyl-1-pyridin-3-yl-pyrazolo[1',5':1,...)Show SMILES O=c1n(Cc2ccccc2)nc(-c2cccnc2)c2c3cc(nn3cnc12)-c1ccccc1 Show InChI InChI=1S/C26H18N6O/c33-26-25-23(22-14-21(29-32(22)17-28-25)19-10-5-2-6-11-19)24(20-12-7-13-27-15-20)30-31(26)16-18-8-3-1-4-9-18/h1-15,17H,16H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Scienze Farmaceutiche
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem 18: 7890-9 (2010)
Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510 |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50586609
(CHEMBL5077538) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human neutrophil elastase |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128380 BindingDB Entry DOI: 10.7270/Q28919SM |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50586616
(CHEMBL5085408) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human neutrophil elastase |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128380 BindingDB Entry DOI: 10.7270/Q28919SM |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 6
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length CA6 by stopped flow CO2 hydration assay |
Bioorg Med Chem Lett 19: 1371-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.038 BindingDB Entry DOI: 10.7270/Q2JW8FS8 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50330631
(3-Benzyl-9-phenyl-1-pyridin-3-yl-pyrazolo[1',5':1,...)Show SMILES O=c1n(Cc2ccccc2)nc(-c2cccnc2)c2c3cc(nn3cnc12)-c1ccccc1 Show InChI InChI=1S/C26H18N6O/c33-26-25-23(22-14-21(29-32(22)17-28-25)19-10-5-2-6-11-19)24(20-12-7-13-27-15-20)30-31(26)16-18-8-3-1-4-9-18/h1-15,17H,16H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins |
Eur J Med Chem 89: 32-41 (2014)
Article DOI: 10.1016/j.ejmech.2014.10.020 BindingDB Entry DOI: 10.7270/Q2KP83SC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
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| DrugBank MMDB PDB Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length CA2 expressed in Escherichia coli BL21 (DE3) by stopped flow CO2 hydration assay |
Bioorg Med Chem Lett 19: 1371-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.038 BindingDB Entry DOI: 10.7270/Q2JW8FS8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50038027
(CHEMBL3359418)Show SMILES S=c1n(Cc2ccccc2)nc(C2CCCC2)c2c3cc(nn3cnc12)-c1ccccc1 Show InChI InChI=1S/C26H23N5S/c32-26-25-23(22-15-21(28-31(22)17-27-25)19-11-5-2-6-12-19)24(20-13-7-8-14-20)29-30(26)16-18-9-3-1-4-10-18/h1-6,9-12,15,17,20H,7-8,13-14,16H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins |
Eur J Med Chem 89: 32-41 (2014)
Article DOI: 10.1016/j.ejmech.2014.10.020 BindingDB Entry DOI: 10.7270/Q2KP83SC |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50586620
(CHEMBL5080250) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human neutrophil elastase |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128380 BindingDB Entry DOI: 10.7270/Q28919SM |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM10881
(CHEMBL288100 | MZA3 | Methazolamide | Methazolamid...)Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Patents
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| PDB Article PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length CA2 expressed in Escherichia coli BL21 (DE3) by stopped flow CO2 hydration assay |
Bioorg Med Chem Lett 19: 1371-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.038 BindingDB Entry DOI: 10.7270/Q2JW8FS8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50038030
(CHEMBL3359409)Show SMILES CCc1nc2c(c(nn(Cc3ccccc3)c2=O)C2CCCCC2)c2cc(nn12)-c1ccccc1 Show InChI InChI=1S/C29H29N5O/c1-2-25-30-28-26(24-18-23(31-34(24)25)21-14-8-4-9-15-21)27(22-16-10-5-11-17-22)32-33(29(28)35)19-20-12-6-3-7-13-20/h3-4,6-9,12-15,18,22H,2,5,10-11,16-17,19H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins |
Eur J Med Chem 89: 32-41 (2014)
Article DOI: 10.1016/j.ejmech.2014.10.020 BindingDB Entry DOI: 10.7270/Q2KP83SC |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50466430
(CHEMBL4283747)Show InChI InChI=1S/C16H11N3O/c1-11-4-6-12(7-5-11)16(20)19-10-13(9-17)14-3-2-8-18-15(14)19/h2-8,10H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Competitive inhibition of human neutrophil elastase using N-methylsuccinyl-Ala-Ala-Pro-Val-7-amino-4-methylcoumarin as substrate by Dixon plot analys... |
Bioorg Med Chem 26: 5583-5595 (2018)
Article DOI: 10.1016/j.bmc.2018.09.034 BindingDB Entry DOI: 10.7270/Q2M32ZGV |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 13
(Mus musculus (mouse)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
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| PDB Article PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of mouse recombinant full length CA13 by stopped flow CO2 hydration assay |
Bioorg Med Chem Lett 19: 1371-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.038 BindingDB Entry DOI: 10.7270/Q2JW8FS8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50586615
(CHEMBL5074956) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human neutrophil elastase |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128380 BindingDB Entry DOI: 10.7270/Q28919SM |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50248167
(2-(1,3-thiazol-4-yl)-1H-benzimidazole-5-sulfonamid...)Show InChI InChI=1S/C10H8N4O2S2/c11-18(15,16)6-1-2-7-8(3-6)14-10(13-7)9-4-17-5-12-9/h1-5H,(H,13,14)(H2,11,15,16) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
| Article PubMed
| 17.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CA12 catalytic domain by stopped flow CO2 hydration assay |
Bioorg Med Chem Lett 19: 1371-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.038 BindingDB Entry DOI: 10.7270/Q2JW8FS8 |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50586619
(CHEMBL5075217) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human neutrophil elastase |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128380 BindingDB Entry DOI: 10.7270/Q28919SM |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50102282
(3,10-Diphenyl-10H-benzo[4,5]imidazo[2,1-c][1,2,4]t...)Show SMILES O=c1c(nnc2n(-c3ccccc3)c3ccccc3n12)-c1ccccc1 Show InChI InChI=1S/C21H14N4O/c26-20-19(15-9-3-1-4-10-15)22-23-21-24(16-11-5-2-6-12-16)17-13-7-8-14-18(17)25(20)21/h1-14H | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Scienze Farmaceutiche
Curated by ChEMBL
| Assay Description Binding affinity to bovine adenosine A1 receptor |
Bioorg Med Chem 18: 7890-9 (2010)
Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 5B, mitochondrial
(Homo sapiens (Human)) | BDBM10882
(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
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| Article PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length CA5B by stopped flow CO2 hydration assay |
Bioorg Med Chem Lett 19: 1371-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.038 BindingDB Entry DOI: 10.7270/Q2JW8FS8 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 13
(Mus musculus (mouse)) | BDBM10881
(CHEMBL288100 | MZA3 | Methazolamide | Methazolamid...)Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of mouse recombinant full length CA13 by stopped flow CO2 hydration assay |
Bioorg Med Chem Lett 19: 1371-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.038 BindingDB Entry DOI: 10.7270/Q2JW8FS8 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50133368
(CHEMBL335950 | N-(2-(furan-2-yl)-8-(3-phenylpropyl...)Show SMILES O=C(Cc1cccc2ccccc12)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C31H25N7O2/c39-27(19-23-14-6-13-22-12-4-5-15-24(22)23)32-31-34-28-25(30-33-29(36-38(30)31)26-16-8-18-40-26)20-37(35-28)17-7-11-21-9-2-1-3-10-21/h1-6,8-10,12-16,18,20H,7,11,17,19H2,(H,32,34,35,39) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Scienze Farmaceutiche
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A2b receptor |
Bioorg Med Chem 18: 7890-9 (2010)
Article DOI: 10.1016/j.bmc.2010.09.043 BindingDB Entry DOI: 10.7270/Q2V12510 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM10882
(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CA12 catalytic domain by stopped flow CO2 hydration assay |
Bioorg Med Chem Lett 19: 1371-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.038 BindingDB Entry DOI: 10.7270/Q2JW8FS8 |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50084637
(2,2-Dimethyl-propionic acid 4-[2-(carboxymethyl-ca...)Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)NCC(O)=O Show InChI InChI=1S/C20H22N2O7S/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human neutrophil elastase |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128380 BindingDB Entry DOI: 10.7270/Q28919SM |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50586613
(CHEMBL5085071) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human neutrophil elastase |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128380 BindingDB Entry DOI: 10.7270/Q28919SM |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50586610
(CHEMBL5091316) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human neutrophil elastase |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128380 BindingDB Entry DOI: 10.7270/Q28919SM |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM10882
(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length CA1 expressed in Escherichia coli BL21 (DE3) by stopped flow CO2 hydration assay |
Bioorg Med Chem Lett 19: 1371-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.038 BindingDB Entry DOI: 10.7270/Q2JW8FS8 |
More data for this Ligand-Target Pair | |