Found 1745 hits with Last Name = 'masini' and Initial = 'e' 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 |
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
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| 0.204 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Urbino "Carlo Bo"
Curated by ChEMBL
| Assay Description Displacement of [125I]iodomelatonin from human MT1 receptor expressed in rat NIH/3T3 cell membranes incubated for 90 mins by Cheng-Prusoff equation a... |
J Med Chem 61: 7902-7916 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V |
More data for this Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50292219
((-)-3-morpholino-4-(3-tert-butylamino-2-hydroxypro...)Show InChI InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 0.209 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Displacement of [3H]-CGP12177 from human beta2 ADR expressed in HEK293T cell membrane after 90 mins by scintillation counting |
J Med Chem 61: 5380-5394 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00625 BindingDB Entry DOI: 10.7270/Q2XS5XX3 |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1B
(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
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| 0.288 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Urbino "Carlo Bo"
Curated by ChEMBL
| Assay Description Displacement of [125I]iodomelatonin from human MT2 receptor expressed in rat NIH/3T3 cell membranes incubated for 90 mins by Cheng-Prusoff equation a... |
J Med Chem 61: 7902-7916 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50527096
(CHEMBL4558452)Show SMILES CC(=O)C(=C/c1ccccc1Cl)\C(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H15ClN2O4S/c1-11(21)15(10-12-4-2-3-5-16(12)18)17(22)20-13-6-8-14(9-7-13)25(19,23)24/h2-10H,1H3,(H,20,22)(H2,19,23,24)/b15-10+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 6 hrs prior to testing measured for 10 to 100 secs by phenol red-based stopped-flo... |
J Med Chem 63: 3317-3326 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02090 BindingDB Entry DOI: 10.7270/Q25Q50JG |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50527087
(CHEMBL4450169)Show SMILES COc1ccc(\C=C(/C(C)=O)C(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C18H18N2O5S/c1-12(21)17(11-13-3-7-15(25-2)8-4-13)18(22)20-14-5-9-16(10-6-14)26(19,23)24/h3-11H,1-2H3,(H,20,22)(H2,19,23,24)/b17-11+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 6 hrs prior to testing measured for 10 to 100 secs by phenol red-based stopped-flo... |
J Med Chem 63: 3317-3326 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02090 BindingDB Entry DOI: 10.7270/Q25Q50JG |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50180022
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1 |THB:21:22:26.25:28| Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita di Pisa
Curated by ChEMBL
| Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells |
J Med Chem 52: 3644-51 (2009)
Article DOI: 10.1021/jm801563d BindingDB Entry DOI: 10.7270/Q2X0680K |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50540944
(CHEMBL4637053)Show SMILES NCCCN(CCc1ccccc1)CC(=O)N(CCc1ccc(cc1)S(N)(=O)=O)Cc1ccc(F)cc1 Show InChI InChI=1S/C28H35FN4O3S/c29-26-11-7-25(8-12-26)21-33(20-16-24-9-13-27(14-10-24)37(31,35)36)28(34)22-32(18-4-17-30)19-15-23-5-2-1-3-6-23/h1-3,5-14H,4,15-22,30H2,(H2,31,35,36) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Firenze
Curated by ChEMBL
| Assay Description Inhibition of human CA12 preincubated for 15 mins by stopped-flow CO2 hydration kinetic assay based Cheng-Prusoff equation analysis |
J Med Chem 63: 7422-7444 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00733 BindingDB Entry DOI: 10.7270/Q2BV7M64 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50527086
(CHEMBL4458973)Show SMILES CC(=O)C(=C/c1ccc(Cl)cc1)\C(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H15ClN2O4S/c1-11(21)16(10-12-2-4-13(18)5-3-12)17(22)20-14-6-8-15(9-7-14)25(19,23)24/h2-10H,1H3,(H,20,22)(H2,19,23,24)/b16-10+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 6 hrs prior to testing measured for 10 to 100 secs by phenol red-based stopped-flo... |
J Med Chem 63: 3317-3326 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02090 BindingDB Entry DOI: 10.7270/Q25Q50JG |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50030561
(CHEMBL3354129)Show SMILES NS(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(F)cc2)cn1 Show InChI InChI=1S/C12H11FN4O5S2/c13-8-1-4-10(5-2-8)24(21,22)17-12(18)16-9-3-6-11(15-7-9)23(14,19)20/h1-7H,(H2,14,19,20)(H2,16,17,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 0.670 | 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 carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration method |
J Med Chem 57: 9152-67 (2014)
Article DOI: 10.1021/jm501314c BindingDB Entry DOI: 10.7270/Q2CV4K97 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50258654
(CHEMBL466047 | cis-N-(4-Methylcyclohexyl)-1-(p-flu...)Show SMILES C[C@H]1CC[C@H](CC1)NC(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O |r,wD:4.7,1.0,(32.36,5.84,;31.02,5.07,;29.69,5.84,;28.35,5.07,;28.35,3.54,;29.69,2.76,;31.02,3.53,;27.02,2.76,;25.69,3.53,;25.68,5.07,;24.36,2.76,;23,3.53,;21.67,2.74,;20.33,3.51,;19,2.74,;19,1.19,;20.34,.42,;21.68,1.19,;23.02,.42,;23.02,-1.12,;24.36,-1.88,;24.36,-3.41,;25.69,-4.17,;27.02,-3.4,;28.36,-4.16,;27.01,-1.87,;25.69,-1.11,;24.36,1.2,;25.7,.43,)| Show InChI InChI=1S/C23H24FN3O2/c1-15-4-10-19(11-5-15)26-22(28)20-13-17-3-2-12-25-21(17)27(23(20)29)14-16-6-8-18(24)9-7-16/h2-3,6-9,12-13,15,19H,4-5,10-11,14H2,1H3,(H,26,28)/t15-,19+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita di Pisa
Curated by ChEMBL
| Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells |
J Med Chem 52: 3644-51 (2009)
Article DOI: 10.1021/jm801563d BindingDB Entry DOI: 10.7270/Q2X0680K |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50258604
(CHEMBL467896 | N-Cycloheptyl-1-(p-fluorobenzyl)-1,...)Show SMILES Fc1ccc(Cn2c3ncccc3cc(C(=O)NC3CCCCCC3)c2=O)cc1 Show InChI InChI=1S/C23H24FN3O2/c24-18-11-9-16(10-12-18)15-27-21-17(6-5-13-25-21)14-20(23(27)29)22(28)26-19-7-3-1-2-4-8-19/h5-6,9-14,19H,1-4,7-8,15H2,(H,26,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita di Pisa
Curated by ChEMBL
| Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells |
J Med Chem 52: 3644-51 (2009)
Article DOI: 10.1021/jm801563d BindingDB Entry DOI: 10.7270/Q2X0680K |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50540941
(CHEMBL4633228)Show SMILES NS(=O)(=O)c1ccc(CCN(CC#N)C(=O)CN(CCC#N)CCc2ccccc2)cc1 Show InChI InChI=1S/C23H27N5O3S/c24-13-4-15-27(16-11-20-5-2-1-3-6-20)19-23(29)28(18-14-25)17-12-21-7-9-22(10-8-21)32(26,30)31/h1-3,5-10H,4,11-12,15-19H2,(H2,26,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Firenze
Curated by ChEMBL
| Assay Description Inhibition of human CA2 preincubated for 15 mins by stopped-flow CO2 hydration kinetic assay based Cheng-Prusoff equation analysis |
J Med Chem 63: 7422-7444 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00733 BindingDB Entry DOI: 10.7270/Q2BV7M64 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50144828
(5-(2,3,5,6-Tetrafluoro-benzenesulfonylamino)-[1,3,...)Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2c(F)c(F)cc(F)c2F)s1 Show InChI InChI=1S/C8H4F4N4O4S3/c9-2-1-3(10)5(12)6(4(2)11)23(19,20)16-7-14-15-8(21-7)22(13,17)18/h1H,(H,14,16)(H2,13,17,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.700 | 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 In vitro inhibitory activity against human carbonic anhydrase II (hCAII) |
J Med Chem 47: 2796-804 (2004)
Article DOI: 10.1021/jm031116j BindingDB Entry DOI: 10.7270/Q26974BC |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50382706
(Benzyldithiocarbamate sodium salt (I) | CHEMBL2023...)Show InChI InChI=1S/C8H9NS2/c10-8(11)9-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10,11)/p-1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.700 | 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 CA2 pre-incubated for 15 mins by stopped-flow CO2 hydration method |
J Med Chem 55: 1721-30 (2012)
Article DOI: 10.1021/jm300031j BindingDB Entry DOI: 10.7270/Q2GQ6ZSC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50067987
(CHEMBL3400811)Show InChI InChI=1S/C11H20N2OS2/c1-11(2,3)9(14)12-8-5-4-6-13(7-8)10(15)16/h8H,4-7H2,1-3H3,(H,12,14)(H,15,16)/p-1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.760 | 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 carbonic anhydrase 12 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 23: 2368-76 (2015)
Article DOI: 10.1016/j.bmc.2015.03.068 BindingDB Entry DOI: 10.7270/Q2XW4MHN |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1A
(Homo sapiens (Human)) | BDBM50458979
(CHEMBL4210086)Show SMILES CC(=O)NCCc1c(Br)[nH]c2ccc(OCCCCCCNC(=O)Oc3cccc(c3)-c3ccccc3)cc12 Show InChI InChI=1S/C31H34BrN3O4/c1-22(36)33-18-16-27-28-21-25(14-15-29(28)35-30(27)32)38-19-8-3-2-7-17-34-31(37)39-26-13-9-12-24(20-26)23-10-5-4-6-11-23/h4-6,9-15,20-21,35H,2-3,7-8,16-19H2,1H3,(H,33,36)(H,34,37) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.776 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Urbino "Carlo Bo"
Curated by ChEMBL
| Assay Description Displacement of [125I]iodomelatonin from human MT1 receptor expressed in rat NIH/3T3 cell membranes incubated for 90 mins by Cheng-Prusoff equation a... |
J Med Chem 61: 7902-7916 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50382722
(CHEMBL2023728)Show InChI InChI=1S/C6H10N2S4/c9-5(10)7-1-2-8(4-3-7)6(11)12/h1-4H2,(H,9,10)(H,11,12)/p-2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.780 | 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 CA12 pre-incubated for 15 mins by stopped-flow CO2 hydration method |
J Med Chem 55: 1721-30 (2012)
Article DOI: 10.1021/jm300031j BindingDB Entry DOI: 10.7270/Q2GQ6ZSC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50030560
(CHEMBL3354128)Show SMILES NS(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cn1 Show InChI InChI=1S/C12H11ClN4O5S2/c13-8-1-4-10(5-2-8)24(21,22)17-12(18)16-9-3-6-11(15-7-9)23(14,19)20/h1-7H,(H2,14,19,20)(H2,16,17,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 0.790 | 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 carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration method |
J Med Chem 57: 9152-67 (2014)
Article DOI: 10.1021/jm501314c BindingDB Entry DOI: 10.7270/Q2CV4K97 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50197809
(CHEMBL3908714)Show InChI InChI=1S/C15H15N5O2S/c16-23(21,22)15-8-6-14(7-9-15)20-11-13(18-19-20)10-17-12-4-2-1-3-5-12/h1-9,11,17H,10H2,(H2,16,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.830 | 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 carbonic anhydrase 2 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay |
J Med Chem 59: 10692-10704 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01389 BindingDB Entry DOI: 10.7270/Q2Q81G1H |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50382728
(CHEMBL2023727)Show InChI InChI=1S/C5H9NOS2/c8-5(9)6-1-3-7-4-2-6/h1-4H2,(H,8,9)/p-1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.880 | 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 CA1 pre-incubated for 15 mins by stopped-flow CO2 hydration method |
J Med Chem 55: 1721-30 (2012)
Article DOI: 10.1021/jm300031j BindingDB Entry DOI: 10.7270/Q2GQ6ZSC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50174039
(3-(3-Phenyl-ureido)-benzenesulfonamide | CHEMBL370...)Show InChI InChI=1S/C13H13N3O3S/c14-20(18,19)12-8-4-7-11(9-12)16-13(17)15-10-5-2-1-3-6-10/h1-9H,(H2,14,18,19)(H2,15,16,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| 0.890 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01906 BindingDB Entry DOI: 10.7270/Q2WQ07PS |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50258652
(CHEMBL466651 | N-(4-Methylcyclohexyl)-1-(p-fluorob...)Show SMILES CC1CCC(CC1)NC(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O |(3.5,6.21,;2.17,5.44,;2.17,3.9,;.84,3.13,;-.5,3.91,;-.5,5.44,;.83,6.21,;-1.83,3.14,;-3.17,3.9,;-3.17,5.44,;-4.5,3.13,;-5.85,3.91,;-7.19,3.12,;-8.52,3.88,;-9.85,3.11,;-9.85,1.57,;-8.52,.8,;-7.18,1.56,;-5.84,.8,;-5.83,-.74,;-4.49,-1.5,;-4.49,-3.04,;-3.16,-3.8,;-1.83,-3.02,;-.49,-3.79,;-1.84,-1.5,;-3.16,-.74,;-4.49,1.57,;-3.16,.81,)| Show InChI InChI=1S/C23H24FN3O2/c1-15-4-10-19(11-5-15)26-22(28)20-13-17-3-2-12-25-21(17)27(23(20)29)14-16-6-8-18(24)9-7-16/h2-3,6-9,12-13,15,19H,4-5,10-11,14H2,1H3,(H,26,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita di Pisa
Curated by ChEMBL
| Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells |
J Med Chem 52: 3644-51 (2009)
Article DOI: 10.1021/jm801563d BindingDB Entry DOI: 10.7270/Q2X0680K |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50067994
(CHEMBL3400798)Show InChI InChI=1S/C4H9NOS2/c6-3-1-2-5-4(7)8/h6H,1-3H2,(H2,5,7,8)/p-1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.910 | 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 carbonic anhydrase 9 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 23: 2368-76 (2015)
Article DOI: 10.1016/j.bmc.2015.03.068 BindingDB Entry DOI: 10.7270/Q2XW4MHN |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50067992
(CHEMBL3400816)Show InChI InChI=1S/C9H12N2O2S3/c10-16(12,13)8-3-1-7(2-4-8)5-6-11-9(14)15/h1-4H,5-6H2,(H2,10,12,13)(H2,11,14,15)/p-1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.910 | 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 carbonic anhydrase 9 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 23: 2368-76 (2015)
Article DOI: 10.1016/j.bmc.2015.03.068 BindingDB Entry DOI: 10.7270/Q2XW4MHN |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50382722
(CHEMBL2023728)Show InChI InChI=1S/C6H10N2S4/c9-5(10)7-1-2-8(4-3-7)6(11)12/h1-4H2,(H,9,10)(H,11,12)/p-2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.920 | 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 CA2 pre-incubated for 15 mins by stopped-flow CO2 hydration method |
J Med Chem 55: 1721-30 (2012)
Article DOI: 10.1021/jm300031j BindingDB Entry DOI: 10.7270/Q2GQ6ZSC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50067948
(CHEMBL3400804)Show InChI InChI=1S/C6H11NS2/c8-6(9)7-4-2-1-3-5-7/h1-5H2,(H,8,9)/p-1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.920 | 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 carbonic anhydrase 9 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 23: 2368-76 (2015)
Article DOI: 10.1016/j.bmc.2015.03.068 BindingDB Entry DOI: 10.7270/Q2XW4MHN |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50382728
(CHEMBL2023727)Show InChI InChI=1S/C5H9NOS2/c8-5(9)6-1-3-7-4-2-6/h1-4H2,(H,8,9)/p-1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.950 | 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 CA2 pre-incubated for 15 mins by stopped-flow CO2 hydration method |
J Med Chem 55: 1721-30 (2012)
Article DOI: 10.1021/jm300031j BindingDB Entry DOI: 10.7270/Q2GQ6ZSC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50382714
(CHEMBL2023719)Show InChI InChI=1S/C9H19NS2/c1-7(2)5-10(9(11)12)6-8(3)4/h7-8H,5-6H2,1-4H3,(H,11,12)/p-1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.950 | 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 CA2 pre-incubated for 15 mins by stopped-flow CO2 hydration method |
J Med Chem 55: 1721-30 (2012)
Article DOI: 10.1021/jm300031j BindingDB Entry DOI: 10.7270/Q2GQ6ZSC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50382713
(CHEMBL2021946)Show InChI InChI=1S/C5H9NS2/c7-5(8)6-3-1-2-4-6/h1-4H2,(H,7,8)/p-1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 0.960 | 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 CA1 pre-incubated for 15 mins by stopped-flow CO2 hydration method |
J Med Chem 55: 1721-30 (2012)
Article DOI: 10.1021/jm300031j BindingDB Entry DOI: 10.7270/Q2GQ6ZSC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50067995
(CHEMBL3400799)Show InChI InChI=1S/C5H11NOS2/c7-4-2-1-3-6-5(8)9/h7H,1-4H2,(H2,6,8,9)/p-1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 0.970 | 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 carbonic anhydrase 9 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 23: 2368-76 (2015)
Article DOI: 10.1016/j.bmc.2015.03.068 BindingDB Entry DOI: 10.7270/Q2XW4MHN |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50382714
(CHEMBL2023719)Show InChI InChI=1S/C9H19NS2/c1-7(2)5-10(9(11)12)6-8(3)4/h7-8H,5-6H2,1-4H3,(H,11,12)/p-1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.970 | 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 CA1 pre-incubated for 15 mins by stopped-flow CO2 hydration method |
J Med Chem 55: 1721-30 (2012)
Article DOI: 10.1021/jm300031j BindingDB Entry DOI: 10.7270/Q2GQ6ZSC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50067987
(CHEMBL3400811)Show InChI InChI=1S/C11H20N2OS2/c1-11(2,3)9(14)12-8-5-4-6-13(7-8)10(15)16/h8H,4-7H2,1-3H3,(H,12,14)(H,15,16)/p-1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.970 | 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 carbonic anhydrase 9 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 23: 2368-76 (2015)
Article DOI: 10.1016/j.bmc.2015.03.068 BindingDB Entry DOI: 10.7270/Q2XW4MHN |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50382714
(CHEMBL2023719)Show InChI InChI=1S/C9H19NS2/c1-7(2)5-10(9(11)12)6-8(3)4/h7-8H,5-6H2,1-4H3,(H,11,12)/p-1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.990 | 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 CA12 pre-incubated for 15 mins by stopped-flow CO2 hydration method |
J Med Chem 55: 1721-30 (2012)
Article DOI: 10.1021/jm300031j BindingDB Entry DOI: 10.7270/Q2GQ6ZSC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50197818
(CHEMBL3944032)Show SMILES COc1ccc(OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C16H16N4O4S/c1-23-14-4-6-15(7-5-14)24-11-12-10-20(19-18-12)13-2-8-16(9-3-13)25(17,21)22/h2-10H,11H2,1H3,(H2,17,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | 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 carbonic anhydrase 12 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay |
J Med Chem 59: 10692-10704 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01389 BindingDB Entry DOI: 10.7270/Q2Q81G1H |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50197816
(CHEMBL3918252)Show InChI InChI=1S/C15H14N4O3S/c16-23(20,21)15-8-6-13(7-9-15)19-10-12(17-18-19)11-22-14-4-2-1-3-5-14/h1-10H,11H2,(H2,16,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | 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 carbonic anhydrase 2 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay |
J Med Chem 59: 10692-10704 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01389 BindingDB Entry DOI: 10.7270/Q2Q81G1H |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50197810
(CHEMBL3899660)Show SMILES NS(=O)(=O)c1ccc(OCc2cn(nn2)-c2ccc(O)cc2)cc1 Show InChI InChI=1S/C15H14N4O4S/c16-24(21,22)15-7-5-14(6-8-15)23-10-11-9-19(18-17-11)12-1-3-13(20)4-2-12/h1-9,20H,10H2,(H2,16,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | 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 carbonic anhydrase 2 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay |
J Med Chem 59: 10692-10704 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01389 BindingDB Entry DOI: 10.7270/Q2Q81G1H |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50197815
(CHEMBL3917661)Show InChI InChI=1S/C15H14N4O3S/c16-23(20,21)15-8-6-14(7-9-15)22-11-12-10-19(18-17-12)13-4-2-1-3-5-13/h1-10H,11H2,(H2,16,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.10 | 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 carbonic anhydrase 12 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay |
J Med Chem 59: 10692-10704 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01389 BindingDB Entry DOI: 10.7270/Q2Q81G1H |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50197816
(CHEMBL3918252)Show InChI InChI=1S/C15H14N4O3S/c16-23(20,21)15-8-6-13(7-9-15)19-10-12(17-18-19)11-22-14-4-2-1-3-5-14/h1-10H,11H2,(H2,16,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.10 | 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 carbonic anhydrase 12 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay |
J Med Chem 59: 10692-10704 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01389 BindingDB Entry DOI: 10.7270/Q2Q81G1H |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50197821
(CHEMBL3909323)Show SMILES COc1cccc(OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)c1 Show InChI InChI=1S/C16H16N4O4S/c1-23-14-3-2-4-15(9-14)24-11-12-10-20(19-18-12)13-5-7-16(8-6-13)25(17,21)22/h2-10H,11H2,1H3,(H2,17,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.10 | 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 carbonic anhydrase 12 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay |
J Med Chem 59: 10692-10704 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01389 BindingDB Entry DOI: 10.7270/Q2Q81G1H |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50197809
(CHEMBL3908714)Show InChI InChI=1S/C15H15N5O2S/c16-23(21,22)15-8-6-14(7-9-15)20-11-13(18-19-20)10-17-12-4-2-1-3-5-12/h1-9,11,17H,10H2,(H2,16,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.10 | 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 carbonic anhydrase 12 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay |
J Med Chem 59: 10692-10704 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01389 BindingDB Entry DOI: 10.7270/Q2Q81G1H |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50197815
(CHEMBL3917661)Show InChI InChI=1S/C15H14N4O3S/c16-23(20,21)15-8-6-14(7-9-15)22-11-12-10-19(18-17-12)13-4-2-1-3-5-13/h1-10H,11H2,(H2,16,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.20 | 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 carbonic anhydrase 2 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay |
J Med Chem 59: 10692-10704 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01389 BindingDB Entry DOI: 10.7270/Q2Q81G1H |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50288310
(CHEMBL4170908)Show SMILES Cl.CC(C)N(CC(O)COc1ccc(cc1)C(=O)NCCc1ccc(cc1)S(N)(=O)=O)C(C)C Show InChI InChI=1S/C24H35N3O5S.ClH/c1-17(2)27(18(3)4)15-21(28)16-32-22-9-7-20(8-10-22)24(29)26-14-13-19-5-11-23(12-6-19)33(25,30)31;/h5-12,17-18,21,28H,13-16H2,1-4H3,(H,26,29)(H2,25,30,31);1H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay |
J Med Chem 61: 5380-5394 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00625 BindingDB Entry DOI: 10.7270/Q2XS5XX3 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50584298
(CHEMBL5081441) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01906 BindingDB Entry DOI: 10.7270/Q2WQ07PS |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50349858
(CHEMBL78755)Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H15N3O5S2/c1-10-2-6-13(7-3-10)24(21,22)17-14(18)16-11-4-8-12(9-5-11)23(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18) | 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
| 1.30 | 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 carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration method |
J Med Chem 57: 9152-67 (2014)
Article DOI: 10.1021/jm501314c BindingDB Entry DOI: 10.7270/Q2CV4K97 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50146749
(2,3,5,6-Tetrafluoro-N-[3-methyl-5-sulfamoyl-3H-[1,...)Show SMILES Cn1nc(s\c1=N\C(=O)c1c(F)c(F)cc(F)c1F)S(N)(=O)=O Show InChI InChI=1S/C10H6F4N4O3S2/c1-18-9(22-10(17-18)23(15,20)21)16-8(19)5-6(13)3(11)2-4(12)7(5)14/h2H,1H3,(H2,15,20,21)/b16-9+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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 In vitro inhibitory activity against human carbonic anhydrase II (hCAII) |
J Med Chem 47: 2796-804 (2004)
Article DOI: 10.1021/jm031116j BindingDB Entry DOI: 10.7270/Q26974BC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50344562
(2-(diethylamino)ethyl 4-(N-(5-sulfamoyl-1,3,4-thia...)Show SMILES CCN(CC)CCOC(=O)c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C15H21N5O6S3/c1-3-20(4-2)9-10-26-13(21)11-5-7-12(8-6-11)29(24,25)19-14-17-18-15(27-14)28(16,22)23/h5-8H,3-4,9-10H2,1-2H3,(H,17,19)(H2,16,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description Inhibition of human CA2 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046 BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50197813
(CHEMBL3973519)Show InChI InChI=1S/C14H13N5O3S/c15-23(20,21)14-5-3-12(4-6-14)19-9-11(17-18-19)10-22-13-2-1-7-16-8-13/h1-9H,10H2,(H2,15,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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 Inhibition of human carbonic anhydrase 2 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay |
J Med Chem 59: 10692-10704 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01389 BindingDB Entry DOI: 10.7270/Q2Q81G1H |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50197811
(CHEMBL3936646)Show InChI InChI=1S/C15H14N4O2S2/c16-23(20,21)15-8-6-13(7-9-15)19-10-12(17-18-19)11-22-14-4-2-1-3-5-14/h1-10H,11H2,(H2,16,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.5 | 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 carbonic anhydrase 2 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay |
J Med Chem 59: 10692-10704 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01389 BindingDB Entry DOI: 10.7270/Q2Q81G1H |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50288240
(CHEMBL4159562)Show SMILES Cl.CCCNCC(O)COc1ccc(cc1)C(=O)NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C21H29N3O5S.ClH/c1-2-12-23-14-18(25)15-29-19-7-5-17(6-8-19)21(26)24-13-11-16-3-9-20(10-4-16)30(22,27)28;/h3-10,18,23,25H,2,11-15H2,1H3,(H,24,26)(H2,22,27,28);1H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay |
J Med Chem 61: 5380-5394 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00625 BindingDB Entry DOI: 10.7270/Q2XS5XX3 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50288172
(CHEMBL4174691)Show SMILES Cl.CNCC(O)COc1ccc(cc1)C(=O)NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H25N3O5S.ClH/c1-21-12-16(23)13-27-17-6-4-15(5-7-17)19(24)22-11-10-14-2-8-18(9-3-14)28(20,25)26;/h2-9,16,21,23H,10-13H2,1H3,(H,22,24)(H2,20,25,26);1H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay |
J Med Chem 61: 5380-5394 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00625 BindingDB Entry DOI: 10.7270/Q2XS5XX3 |
More data for this Ligand-Target Pair | |