Found 16 hits Enz. Inhib. hit(s) with all data for assayid = 6 entry = 50044474 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 |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50018626
(CHEMBL3291002)Show SMILES OP(O)(=O)C(NS(=O)(=O)c1ccc(Br)cc1)P(O)(O)=O Show InChI InChI=1S/C7H10BrNO8P2S/c8-5-1-3-6(4-2-5)20(16,17)9-7(18(10,11)12)19(13,14)15/h1-4,7,9H,(H2,10,11,12)(H2,13,14,15) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 12 pretreated for 15 mins by stopped flow CO2 hydrase assay |
Bioorg Med Chem Lett 24: 2617-20 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.077 BindingDB Entry DOI: 10.7270/Q2GB25KV |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50018670
(CHEMBL3291013)Show SMILES OP(O)(=O)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)[N+]([O-])=O)P(O)(O)=O Show InChI InChI=1S/C13H14N2O10P2S/c16-15(17)11-5-1-9(2-6-11)10-3-7-12(8-4-10)28(24,25)14-13(26(18,19)20)27(21,22)23/h1-8,13-14H,(H2,18,19,20)(H2,21,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 12 pretreated for 15 mins by stopped flow CO2 hydrase assay |
Bioorg Med Chem Lett 24: 2617-20 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.077 BindingDB Entry DOI: 10.7270/Q2GB25KV |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50018669
(CHEMBL3291012)Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C14H17NO9P2S/c1-24-12-6-2-10(3-7-12)11-4-8-13(9-5-11)27(22,23)15-14(25(16,17)18)26(19,20)21/h2-9,14-15H,1H3,(H2,16,17,18)(H2,19,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 12 pretreated for 15 mins by stopped flow CO2 hydrase assay |
Bioorg Med Chem Lett 24: 2617-20 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.077 BindingDB Entry DOI: 10.7270/Q2GB25KV |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50018663
(CHEMBL3291010)Show SMILES OP(O)(=O)C(NS(=O)(=O)c1ccc(cc1)-c1cccs1)P(O)(O)=O Show InChI InChI=1S/C11H13NO8P2S2/c13-21(14,15)11(22(16,17)18)12-24(19,20)9-5-3-8(4-6-9)10-2-1-7-23-10/h1-7,11-12H,(H2,13,14,15)(H2,16,17,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 12 pretreated for 15 mins by stopped flow CO2 hydrase assay |
Bioorg Med Chem Lett 24: 2617-20 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.077 BindingDB Entry DOI: 10.7270/Q2GB25KV |
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
| n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 12 pretreated for 15 mins by stopped flow CO2 hydrase assay |
Bioorg Med Chem Lett 24: 2617-20 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.077 BindingDB Entry DOI: 10.7270/Q2GB25KV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50018645
(CHEMBL3291007)Show SMILES OP(O)(=O)C(NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O)P(O)(O)=O Show InChI InChI=1S/C7H10N2O10P2S/c10-9(11)5-1-3-6(4-2-5)22(18,19)8-7(20(12,13)14)21(15,16)17/h1-4,7-8H,(H2,12,13,14)(H2,15,16,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 12 pretreated for 15 mins by stopped flow CO2 hydrase assay |
Bioorg Med Chem Lett 24: 2617-20 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.077 BindingDB Entry DOI: 10.7270/Q2GB25KV |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50018629
(CHEMBL3291004)Show InChI InChI=1S/C7H9BrO8P2S/c8-5-1-3-6(4-2-5)19(15,16)7(17(9,10)11)18(12,13)14/h1-4,7H,(H2,9,10,11)(H2,12,13,14) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 225 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 12 pretreated for 15 mins by stopped flow CO2 hydrase assay |
Bioorg Med Chem Lett 24: 2617-20 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.077 BindingDB Entry DOI: 10.7270/Q2GB25KV |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50018628
(CHEMBL3291003)Show InChI InChI=1S/C8H10BrNO7P2/c9-6-3-1-5(2-4-6)7(11)10-8(18(12,13)14)19(15,16)17/h1-4,8H,(H,10,11)(H2,12,13,14)(H2,15,16,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 278 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 12 pretreated for 15 mins by stopped flow CO2 hydrase assay |
Bioorg Med Chem Lett 24: 2617-20 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.077 BindingDB Entry DOI: 10.7270/Q2GB25KV |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM12578
(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)Show InChI InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14) | 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
| n/a | n/a | 316 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 12 pretreated for 15 mins by stopped flow CO2 hydrase assay |
Bioorg Med Chem Lett 24: 2617-20 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.077 BindingDB Entry DOI: 10.7270/Q2GB25KV |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50018641
(CHEMBL3291006)Show SMILES COc1ccc(cc1)S(=O)(=O)NC(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H13NO9P2S/c1-18-6-2-4-7(5-3-6)21(16,17)9-8(19(10,11)12)20(13,14)15/h2-5,8-9H,1H3,(H2,10,11,12)(H2,13,14,15) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 376 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 12 pretreated for 15 mins by stopped flow CO2 hydrase assay |
Bioorg Med Chem Lett 24: 2617-20 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.077 BindingDB Entry DOI: 10.7270/Q2GB25KV |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50018659
(CHEMBL3291009)Show SMILES OP(O)(=O)C(NS(=O)(=O)c1ccc(cc1)-c1ccccc1)P(O)(O)=O Show InChI InChI=1S/C13H15NO8P2S/c15-23(16,17)13(24(18,19)20)14-25(21,22)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13-14H,(H2,15,16,17)(H2,18,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 386 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 12 pretreated for 15 mins by stopped flow CO2 hydrase assay |
Bioorg Med Chem Lett 24: 2617-20 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.077 BindingDB Entry DOI: 10.7270/Q2GB25KV |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50018630
(CHEMBL3291005)Show InChI InChI=1S/C8H13NO8P2S/c1-6-2-4-7(5-3-6)20(16,17)9-8(18(10,11)12)19(13,14)15/h2-5,8-9H,1H3,(H2,10,11,12)(H2,13,14,15) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 461 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 12 pretreated for 15 mins by stopped flow CO2 hydrase assay |
Bioorg Med Chem Lett 24: 2617-20 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.077 BindingDB Entry DOI: 10.7270/Q2GB25KV |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50018625
(CHEMBL3291001)Show SMILES OP(O)(=O)C(NS(=O)(=O)c1ccc(Cl)cc1)P(O)(O)=O Show InChI InChI=1S/C7H10ClNO8P2S/c8-5-1-3-6(4-2-5)20(16,17)9-7(18(10,11)12)19(13,14)15/h1-4,7,9H,(H2,10,11,12)(H2,13,14,15) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 464 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 12 pretreated for 15 mins by stopped flow CO2 hydrase assay |
Bioorg Med Chem Lett 24: 2617-20 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.077 BindingDB Entry DOI: 10.7270/Q2GB25KV |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50018668
(CHEMBL3291011)Show SMILES OP(O)(=O)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1)P(O)(O)=O Show InChI InChI=1S/C13H14ClNO8P2S/c14-11-5-1-9(2-6-11)10-3-7-12(8-4-10)26(22,23)15-13(24(16,17)18)25(19,20)21/h1-8,13,15H,(H2,16,17,18)(H2,19,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 476 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 12 pretreated for 15 mins by stopped flow CO2 hydrase assay |
Bioorg Med Chem Lett 24: 2617-20 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.077 BindingDB Entry DOI: 10.7270/Q2GB25KV |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50018655
(CHEMBL3291008)Show SMILES OP(O)(=O)C(NS(=O)(=O)c1cccc(c1)[N+]([O-])=O)P(O)(O)=O Show InChI InChI=1S/C7H10N2O10P2S/c10-9(11)5-2-1-3-6(4-5)22(18,19)8-7(20(12,13)14)21(15,16)17/h1-4,7-8H,(H2,12,13,14)(H2,15,16,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 794 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 12 pretreated for 15 mins by stopped flow CO2 hydrase assay |
Bioorg Med Chem Lett 24: 2617-20 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.077 BindingDB Entry DOI: 10.7270/Q2GB25KV |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50018610
(CHEMBL3291000)Show InChI InChI=1S/C7H11NO8P2S/c9-17(10,11)7(18(12,13)14)8-19(15,16)6-4-2-1-3-5-6/h1-5,7-8H,(H2,9,10,11)(H2,12,13,14) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 855 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 12 pretreated for 15 mins by stopped flow CO2 hydrase assay |
Bioorg Med Chem Lett 24: 2617-20 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.077 BindingDB Entry DOI: 10.7270/Q2GB25KV |
More data for this Ligand-Target Pair | |