Found 1205 hits with Last Name = 'orlandini' 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 |
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 | |
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 | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50294132
(CHEMBL561963 | N-hydroxy-2-(N-isopropoxy-4'-isopro...)Show SMILES CC(C)ON(C(C(C)C)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(C)C Show InChI InChI=1S/C23H32N2O5S/c1-15(2)18-7-9-19(10-8-18)20-11-13-21(14-12-20)31(28,29)25(30-17(5)6)22(16(3)4)23(26)24-27/h7-17,22,27H,1-6H3,(H,24,26) | 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£ di Pisa
Curated by ChEMBL
| Assay Description Inhibition of MMP2 |
J Med Chem 52: 4757-73 (2009)
Article DOI: 10.1021/jm900261f BindingDB Entry DOI: 10.7270/Q2JW8DXN |
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 12
(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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB 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 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 | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50294132
(CHEMBL561963 | N-hydroxy-2-(N-isopropoxy-4'-isopro...)Show SMILES CC(C)ON(C(C(C)C)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(C)C Show InChI InChI=1S/C23H32N2O5S/c1-15(2)18-7-9-19(10-8-18)20-11-13-21(14-12-20)31(28,29)25(30-17(5)6)22(16(3)4)23(26)24-27/h7-17,22,27H,1-6H3,(H,24,26) | PDB MMDB
NCI pathway 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£ di Pisa
Curated by ChEMBL
| Assay Description Inhibition of MMP13-mediated collagen degradation by SDS-PAGE |
J Med Chem 52: 4757-73 (2009)
Article DOI: 10.1021/jm900261f BindingDB Entry DOI: 10.7270/Q2JW8DXN |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50030620
(CHEMBL3354136)Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)NS(=O)(=O)c2ccccc2Cl)cc1 Show InChI InChI=1S/C15H16ClN3O5S2/c16-13-3-1-2-4-14(13)26(23,24)19-15(20)18-10-9-11-5-7-12(8-6-11)25(17,21)22/h1-8H,9-10H2,(H2,17,21,22)(H2,18,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.70 | 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 carbonic anhydrase 2 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)) | BDBM50030564
(CHEMBL3354132)Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H19N3O5S2/c1-12-2-6-15(7-3-12)26(23,24)19-16(20)18-11-10-13-4-8-14(9-5-13)25(17,21)22/h2-9H,10-11H2,1H3,(H2,17,21,22)(H2,18,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.80 | 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 2 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 | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50294122
(CHEMBL560837 | N-Hydroxy-2-(N-isopropoxy-4'-methox...)Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(CC(=O)NO)OC(C)C Show InChI InChI=1S/C18H22N2O6S/c1-13(2)26-20(12-18(21)19-22)27(23,24)17-10-6-15(7-11-17)14-4-8-16(25-3)9-5-14/h4-11,13,22H,12H2,1-3H3,(H,19,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description Inhibition of MMP2 |
J Med Chem 52: 4757-73 (2009)
Article DOI: 10.1021/jm900261f BindingDB Entry DOI: 10.7270/Q2JW8DXN |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(BOVINE) | BDBM50122737
(3-Cyclohexyl-1-propyl-piperidine; hydrochloride | ...)Show InChI InChI=1S/C14H27N/c1-2-10-15-11-6-9-14(12-15)13-7-4-3-5-8-13/h13-14H,2-12H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description Affinity for Dopamine receptor D2 using [3H]YM-09151-2 was carried out on bovine retinal membrane preparations (high-affinity) |
J Med Chem 46: 161-8 (2002)
Article DOI: 10.1021/jm021019a BindingDB Entry DOI: 10.7270/Q2ZC83K0 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(BOVINE) | BDBM50122735
(3-(4-Methyl-cyclohexyl)-1-propyl-piperidine; hydro...)Show SMILES CCCN1CCCC(C1)C1CCC(C)CC1 |(7.31,-8.59,;5.97,-7.82,;4.64,-8.61,;3.3,-7.82,;1.97,-8.62,;.64,-7.85,;.64,-6.31,;1.97,-5.54,;3.3,-6.31,;1.97,-4,;3.3,-3.23,;3.3,-1.69,;1.97,-.92,;1.96,.62,;.64,-1.69,;.64,-3.23,)| Show InChI InChI=1S/C15H29N/c1-3-10-16-11-4-5-15(12-16)14-8-6-13(2)7-9-14/h13-15H,3-12H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description Affinity for Dopamine receptor D2 using [3H]YM-09151-2 was carried out on bovine retinal membrane preparations (high-affinity) |
J Med Chem 46: 161-8 (2002)
Article DOI: 10.1021/jm021019a BindingDB Entry DOI: 10.7270/Q2ZC83K0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50030556
(CHEMBL3354126)Show SMILES NS(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccccc2)cn1 Show InChI InChI=1S/C12H12N4O5S2/c13-22(18,19)11-7-6-9(8-14-11)15-12(17)16-23(20,21)10-4-2-1-3-5-10/h1-8H,(H2,13,18,19)(H2,15,16,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.10 | 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 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)) | BDBM50030616
(CHEMBL3354134)Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C15H16ClN3O5S2/c16-12-3-7-14(8-4-12)26(23,24)19-15(20)18-10-9-11-1-5-13(6-2-11)25(17,21)22/h1-8H,9-10H2,(H2,17,21,22)(H2,18,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.20 | 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 carbonic anhydrase 2 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 12
(Homo sapiens (Human)) | BDBM50030562
(CHEMBL3354130)Show SMILES NS(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccccc2Cl)cn1 Show InChI InChI=1S/C12H11ClN4O5S2/c13-9-3-1-2-4-10(9)24(21,22)17-12(18)16-8-5-6-11(15-7-8)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 UniChem
Similars
| Article PubMed
| 4.60 | 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 | |
D(2) dopamine receptor
(BOVINE) | BDBM50122736
(3-(3-Methyl-cyclohexyl)-1-propyl-piperidine; hydro...)Show InChI InChI=1S/C15H29N/c1-3-9-16-10-5-8-15(12-16)14-7-4-6-13(2)11-14/h13-15H,3-12H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description Affinity for Dopamine receptor D2 using [3H]YM-09151-2 was carried out on bovine retinal membrane preparations (high-affinity) |
J Med Chem 46: 161-8 (2002)
Article DOI: 10.1021/jm021019a BindingDB Entry DOI: 10.7270/Q2ZC83K0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50030620
(CHEMBL3354136)Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)NS(=O)(=O)c2ccccc2Cl)cc1 Show InChI InChI=1S/C15H16ClN3O5S2/c16-13-3-1-2-4-14(13)26(23,24)19-15(20)18-10-9-11-5-7-12(8-6-11)25(17,21)22/h1-8H,9-10H2,(H2,17,21,22)(H2,18,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.10 | 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 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)) | BDBM50030565
(CHEMBL3354133)Show SMILES Cc1ccccc1S(=O)(=O)NC(=O)NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H19N3O5S2/c1-12-4-2-3-5-15(12)26(23,24)19-16(20)18-11-10-13-6-8-14(9-7-13)25(17,21)22/h2-9H,10-11H2,1H3,(H2,17,21,22)(H2,18,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.30 | 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 2 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 12
(Homo sapiens (Human)) | BDBM50030616
(CHEMBL3354134)Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C15H16ClN3O5S2/c16-12-3-7-14(8-4-12)26(23,24)19-15(20)18-10-9-11-1-5-13(6-2-11)25(17,21)22/h1-8H,9-10H2,(H2,17,21,22)(H2,18,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.60 | 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 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 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 | 3D Structure (crystal) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50030618
(CHEMBL3354135)Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C15H16FN3O5S2/c16-12-3-7-14(8-4-12)26(23,24)19-15(20)18-10-9-11-1-5-13(6-2-11)25(17,21)22/h1-8H,9-10H2,(H2,17,21,22)(H2,18,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 5.80 | 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 2 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 12
(Homo sapiens (Human)) | BDBM50030563
(CHEMBL3354131)Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)NS(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C15H17N3O5S2/c16-24(20,21)13-8-6-12(7-9-13)10-11-17-15(19)18-25(22,23)14-4-2-1-3-5-14/h1-9H,10-11H2,(H2,16,20,21)(H2,17,18,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.90 | 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 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 12
(Homo sapiens (Human)) | BDBM50030651
(CHEMBL3354140)Show SMILES Cc1cc(=O)oc2cc(NC(=O)NS(=O)(=O)c3ccc(Cl)cc3)ccc12 Show InChI InChI=1S/C17H13ClN2O5S/c1-10-8-16(21)25-15-9-12(4-7-14(10)15)19-17(22)20-26(23,24)13-5-2-11(18)3-6-13/h2-9H,1H3,(H2,19,20,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 6 | 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 12
(Homo sapiens (Human)) | BDBM50030564
(CHEMBL3354132)Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H19N3O5S2/c1-12-2-6-15(7-3-12)26(23,24)19-16(20)18-11-10-13-4-8-14(9-5-13)25(17,21)22/h2-9H,10-11H2,1H3,(H2,17,21,22)(H2,18,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6 | 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 12
(Homo sapiens (Human)) | BDBM50030565
(CHEMBL3354133)Show SMILES Cc1ccccc1S(=O)(=O)NC(=O)NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H19N3O5S2/c1-12-4-2-3-5-15(12)26(23,24)19-16(20)18-11-10-13-6-8-14(9-7-13)25(17,21)22/h2-9H,10-11H2,1H3,(H2,17,21,22)(H2,18,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| 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 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)) | BDBM50030563
(CHEMBL3354131)Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)NS(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C15H17N3O5S2/c16-24(20,21)13-8-6-12(7-9-13)10-11-17-15(19)18-25(22,23)14-4-2-1-3-5-14/h1-9H,10-11H2,(H2,16,20,21)(H2,17,18,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.5 | 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 carbonic anhydrase 2 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 12
(Homo sapiens (Human)) | BDBM50030618
(CHEMBL3354135)Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C15H16FN3O5S2/c16-12-3-7-14(8-4-12)26(23,24)19-15(20)18-10-9-11-1-5-13(6-2-11)25(17,21)22/h1-8H,9-10H2,(H2,17,21,22)(H2,18,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 6.80 | 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 12
(Homo sapiens (Human)) | BDBM50030557
(CHEMBL3099282)Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1ccc(nc1)S(N)(=O)=O Show InChI InChI=1S/C13H14N4O5S2/c1-9-2-5-11(6-3-9)24(21,22)17-13(18)16-10-4-7-12(15-8-10)23(14,19)20/h2-8H,1H3,(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
| 6.80 | 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 1
(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
| 7 | 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 1 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 12
(Homo sapiens (Human)) | BDBM50030643
(CHEMBL3354142)Show SMILES Cc1cc(=O)oc2cc(NC(=O)NS(=O)(=O)c3ccccc3Cl)ccc12 Show InChI InChI=1S/C17H13ClN2O5S/c1-10-8-16(21)25-14-9-11(6-7-12(10)14)19-17(22)20-26(23,24)15-5-3-2-4-13(15)18/h2-9H,1H3,(H2,19,20,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.60 | 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 12
(Homo sapiens (Human)) | BDBM50030650
(CHEMBL3354141)Show SMILES Cc1cc(=O)oc2cc(NC(=O)NS(=O)(=O)c3ccc(F)cc3)ccc12 Show InChI InChI=1S/C17H13FN2O5S/c1-10-8-16(21)25-15-9-12(4-7-14(10)15)19-17(22)20-26(23,24)13-5-2-11(18)3-6-13/h2-9H,1H3,(H2,19,20,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 7.70 | 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 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)) | 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£ di Pisa
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 2 by CO2 hydration method |
Bioorg Med Chem 15: 2298-311 (2007)
Article DOI: 10.1016/j.bmc.2007.01.023 BindingDB Entry DOI: 10.7270/Q2VX0HBC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50030565
(CHEMBL3354133)Show SMILES Cc1ccccc1S(=O)(=O)NC(=O)NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H19N3O5S2/c1-12-4-2-3-5-15(12)26(23,24)19-16(20)18-11-10-13-6-8-14(9-7-13)25(17,21)22/h2-9H,10-11H2,1H3,(H2,17,21,22)(H2,18,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.10 | 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 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 12
(Homo sapiens (Human)) | BDBM50030637
(CHEMBL3354139)Show SMILES Cc1ccccc1S(=O)(=O)NC(=O)Nc1ccc2c(C)cc(=O)oc2c1 Show InChI InChI=1S/C18H16N2O5S/c1-11-5-3-4-6-16(11)26(23,24)20-18(22)19-13-7-8-14-12(2)9-17(21)25-15(14)10-13/h3-10H,1-2H3,(H2,19,20,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 8.90 | 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 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 | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50058225
(CHEMBL45244 | N-((4-(2-cyanophenyl)piperazin-1-yl)...)Show InChI InChI=1S/C20H22N4O/c1-16-5-4-7-17(13-16)20(25)22-15-23-9-11-24(12-10-23)19-8-3-2-6-18(19)14-21/h2-8,13H,9-12,15H2,1H3,(H,22,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description Binding affinity towards cloned human Dopamine receptor D4 |
Bioorg Med Chem Lett 11: 223-6 (2001)
BindingDB Entry DOI: 10.7270/Q2Z89CZK |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 9 | 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 9
(Homo sapiens (Human)) | BDBM50030564
(CHEMBL3354132)Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H19N3O5S2/c1-12-2-6-15(7-3-12)26(23,24)19-16(20)18-11-10-13-4-8-14(9-5-13)25(17,21)22/h2-9H,10-11H2,1H3,(H2,17,21,22)(H2,18,19,20) | 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
| 9.20 | 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 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 12
(Homo sapiens (Human)) | BDBM50030626
(CHEMBL3354138)Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1ccc2c(C)cc(=O)oc2c1 Show InChI InChI=1S/C18H16N2O5S/c1-11-3-6-14(7-4-11)26(23,24)20-18(22)19-13-5-8-15-12(2)9-17(21)25-16(15)10-13/h3-10H,1-2H3,(H2,19,20,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9.40 | 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 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 9
(Homo sapiens (Human)) | BDBM50030558
(CHEMBL3354127)Show SMILES Cc1ccccc1S(=O)(=O)NC(=O)Nc1ccc(nc1)S(N)(=O)=O Show InChI InChI=1S/C13H14N4O5S2/c1-9-4-2-3-5-11(9)24(21,22)17-13(18)16-10-6-7-12(15-8-10)23(14,19)20/h2-8H,1H3,(H2,14,19,20)(H2,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB 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 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 9
(Homo sapiens (Human)) | BDBM50030563
(CHEMBL3354131)Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)NS(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C15H17N3O5S2/c16-24(20,21)13-8-6-12(7-9-13)10-11-17-15(19)18-25(22,23)14-4-2-1-3-5-14/h1-9H,10-11H2,(H2,16,20,21)(H2,17,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9.60 | 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 12
(Homo sapiens (Human)) | BDBM50030558
(CHEMBL3354127)Show SMILES Cc1ccccc1S(=O)(=O)NC(=O)Nc1ccc(nc1)S(N)(=O)=O Show InChI InChI=1S/C13H14N4O5S2/c1-9-4-2-3-5-11(9)24(21,22)17-13(18)16-10-6-7-12(15-8-10)23(14,19)20/h2-8H,1H3,(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
| 9.60 | 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 9
(Homo sapiens (Human)) | BDBM50030616
(CHEMBL3354134)Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C15H16ClN3O5S2/c16-12-3-7-14(8-4-12)26(23,24)19-15(20)18-10-9-11-1-5-13(6-2-11)25(17,21)22/h1-8H,9-10H2,(H2,17,21,22)(H2,18,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9.70 | 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 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 9
(Homo sapiens (Human)) | BDBM50030562
(CHEMBL3354130)Show SMILES NS(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccccc2Cl)cn1 Show InChI InChI=1S/C12H11ClN4O5S2/c13-9-3-1-2-4-10(9)24(21,22)17-12(18)16-8-5-6-11(15-7-8)23(14,19)20/h1-7H,(H2,14,19,20)(H2,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9.70 | 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 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 9
(Homo sapiens (Human)) | BDBM50030557
(CHEMBL3099282)Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1ccc(nc1)S(N)(=O)=O Show InChI InChI=1S/C13H14N4O5S2/c1-9-2-5-11(6-3-9)24(21,22)17-13(18)16-10-4-7-12(15-8-10)23(14,19)20/h2-8H,1H3,(H2,14,19,20)(H2,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 9.80 | 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)) | 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
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
| 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 carbonic anhydrase 2 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 | 3D Structure (crystal) |
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
Patents
Similars
| 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 carbonic anhydrase 2 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 | 3D Structure (crystal) |
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
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 2 by CO2 hydration method |
Bioorg Med Chem 15: 2298-311 (2007)
Article DOI: 10.1016/j.bmc.2007.01.023 BindingDB Entry DOI: 10.7270/Q2VX0HBC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM13063
(4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sul...)Show InChI InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20) | 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
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CA12 catalytic domain pre-incubated for 15 mins by stopped-flow CO2 hydration method |
J Med Chem 55: 9619-29 (2012)
Article DOI: 10.1021/jm300878g BindingDB Entry DOI: 10.7270/Q29S1S5G |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50161331
(2-[(Biphenyl-4-sulfonyl)-isopropoxy-amino]-N-hydro...)Show SMILES CC(C)ON(CC(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C17H20N2O5S/c1-13(2)24-19(12-17(20)18-21)25(22,23)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,21H,12H2,1-2H3,(H,18,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description Inhibition of MMP2 |
J Med Chem 52: 4757-73 (2009)
Article DOI: 10.1021/jm900261f BindingDB Entry DOI: 10.7270/Q2JW8DXN |
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
Similars
| PDB Article PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 2 by CO2 hydration method |
Bioorg Med Chem 15: 2298-311 (2007)
Article DOI: 10.1016/j.bmc.2007.01.023 BindingDB Entry DOI: 10.7270/Q2VX0HBC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM10890
(1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...)Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12 Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 2 by CO2 hydration method |
Bioorg Med Chem 15: 2298-311 (2007)
Article DOI: 10.1016/j.bmc.2007.01.023 BindingDB Entry DOI: 10.7270/Q2VX0HBC |
More data for this Ligand-Target Pair | |