Found 48 hits of Enzyme Inhibition Constant Data 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)) | BDBM50190142
(CHEMBL3828241)Show SMILES COc1ccc2c(c1)nc(S)n(CCc1ccc(cc1)S(N)(=O)=O)c2=O Show InChI InChI=1S/C17H17N3O4S2/c1-24-12-4-7-14-15(10-12)19-17(25)20(16(14)21)9-8-11-2-5-13(6-3-11)26(18,22)23/h2-7,10H,8-9H2,1H3,(H,19,25)(H2,18,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.470 | 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 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50190147
(CHEMBL3828207)Show SMILES NS(=O)(=O)c1ccc(CCn2c(S)nc3ccc(Cl)cc3c2=O)cc1 Show InChI InChI=1S/C16H14ClN3O3S2/c17-11-3-6-14-13(9-11)15(21)20(16(24)19-14)8-7-10-1-4-12(5-2-10)25(18,22)23/h1-6,9H,7-8H2,(H,19,24)(H2,18,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.540 | 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 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50190143
(CHEMBL3827651)Show SMILES COc1ccc2nc(S)n(CCc3ccc(cc3)S(N)(=O)=O)c(=O)c2c1 Show InChI InChI=1S/C17H17N3O4S2/c1-24-12-4-7-15-14(10-12)16(21)20(17(25)19-15)9-8-11-2-5-13(6-3-11)26(18,22)23/h2-7,10H,8-9H2,1H3,(H,19,25)(H2,18,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.540 | 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 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50190134
(CHEMBL1433252)Show SMILES NS(=O)(=O)c1ccc(CCn2c(=S)[nH]c3ccccc3c2=O)cc1 Show InChI InChI=1S/C16H15N3O3S2/c17-24(21,22)12-7-5-11(6-8-12)9-10-19-15(20)13-3-1-2-4-14(13)18-16(19)23/h1-8H,9-10H2,(H,18,23)(H2,17,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.590 | 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 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50190139
(CHEMBL3828646)Show SMILES Cc1cccc2c1nc(S)n(CCc1ccc(cc1)S(N)(=O)=O)c2=O Show InChI InChI=1S/C17H17N3O3S2/c1-11-3-2-4-14-15(11)19-17(24)20(16(14)21)10-9-12-5-7-13(8-6-12)25(18,22)23/h2-8H,9-10H2,1H3,(H,19,24)(H2,18,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.610 | 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 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50190134
(CHEMBL1433252)Show SMILES NS(=O)(=O)c1ccc(CCn2c(=S)[nH]c3ccccc3c2=O)cc1 Show InChI InChI=1S/C16H15N3O3S2/c17-24(21,22)12-7-5-11(6-8-12)9-10-19-15(20)13-3-1-2-4-14(13)18-16(19)23/h1-8H,9-10H2,(H,18,23)(H2,17,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.620 | 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 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50190133
(CHEMBL1383680)Show SMILES NS(=O)(=O)c1ccc(CCn2c(=S)[nH]c3ccc(F)cc3c2=O)cc1 Show InChI InChI=1S/C16H14FN3O3S2/c17-11-3-6-14-13(9-11)15(21)20(16(24)19-14)8-7-10-1-4-12(5-2-10)25(18,22)23/h1-6,9H,7-8H2,(H,19,24)(H2,18,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.620 | 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 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50190141
(CHEMBL3828667)Show SMILES NS(=O)(=O)c1ccc(CCn2c(S)nc3cc(F)ccc3c2=O)cc1 Show InChI InChI=1S/C16H14FN3O3S2/c17-11-3-6-13-14(9-11)19-16(24)20(15(13)21)8-7-10-1-4-12(5-2-10)25(18,22)23/h1-6,9H,7-8H2,(H,19,24)(H2,18,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.640 | 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 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50190136
(CHEMBL3827113)Show SMILES COc1cc2nc(S)n(CCc3ccc(cc3)S(N)(=O)=O)c(=O)c2cc1OC Show InChI InChI=1S/C18H19N3O5S2/c1-25-15-9-13-14(10-16(15)26-2)20-18(27)21(17(13)22)8-7-11-3-5-12(6-4-11)28(19,23)24/h3-6,9-10H,7-8H2,1-2H3,(H,20,27)(H2,19,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.650 | 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 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50190146
(CHEMBL3828598)Show SMILES NS(=O)(=O)c1ccc(CCn2c(S)nc3c(Cl)cccc3c2=O)cc1 Show InChI InChI=1S/C16H14ClN3O3S2/c17-13-3-1-2-12-14(13)19-16(24)20(15(12)21)9-8-10-4-6-11(7-5-10)25(18,22)23/h1-7H,8-9H2,(H,19,24)(H2,18,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.660 | 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 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50190142
(CHEMBL3828241)Show SMILES COc1ccc2c(c1)nc(S)n(CCc1ccc(cc1)S(N)(=O)=O)c2=O Show InChI InChI=1S/C17H17N3O4S2/c1-24-12-4-7-14-15(10-12)19-17(25)20(16(14)21)9-8-11-2-5-13(6-3-11)26(18,22)23/h2-7,10H,8-9H2,1H3,(H,19,25)(H2,18,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.690 | 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 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50190144
(CHEMBL3828520)Show SMILES NS(=O)(=O)c1ccc(CCn2c(S)nc3ccc(I)cc3c2=O)cc1 Show InChI InChI=1S/C16H14IN3O3S2/c17-11-3-6-14-13(9-11)15(21)20(16(24)19-14)8-7-10-1-4-12(5-2-10)25(18,22)23/h1-6,9H,7-8H2,(H,19,24)(H2,18,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.710 | 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 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50190138
(CHEMBL3828605)Show SMILES Cc1cc(C)c2nc(S)n(CCc3ccc(cc3)S(N)(=O)=O)c(=O)c2c1 Show InChI InChI=1S/C18H19N3O3S2/c1-11-9-12(2)16-15(10-11)17(22)21(18(25)20-16)8-7-13-3-5-14(6-4-13)26(19,23)24/h3-6,9-10H,7-8H2,1-2H3,(H,20,25)(H2,19,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.730 | 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 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50190144
(CHEMBL3828520)Show SMILES NS(=O)(=O)c1ccc(CCn2c(S)nc3ccc(I)cc3c2=O)cc1 Show InChI InChI=1S/C16H14IN3O3S2/c17-11-3-6-14-13(9-11)15(21)20(16(24)19-14)8-7-10-1-4-12(5-2-10)25(18,22)23/h1-6,9H,7-8H2,(H,19,24)(H2,18,22,23) | 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 CA12 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50190146
(CHEMBL3828598)Show SMILES NS(=O)(=O)c1ccc(CCn2c(S)nc3c(Cl)cccc3c2=O)cc1 Show InChI InChI=1S/C16H14ClN3O3S2/c17-13-3-1-2-12-14(13)19-16(24)20(15(12)21)9-8-10-4-6-11(7-5-10)25(18,22)23/h1-7H,8-9H2,(H,19,24)(H2,18,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 CA2 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50190138
(CHEMBL3828605)Show SMILES Cc1cc(C)c2nc(S)n(CCc3ccc(cc3)S(N)(=O)=O)c(=O)c2c1 Show InChI InChI=1S/C18H19N3O3S2/c1-11-9-12(2)16-15(10-11)17(22)21(18(25)20-16)8-7-13-3-5-14(6-4-13)26(19,23)24/h3-6,9-10H,7-8H2,1-2H3,(H,20,25)(H2,19,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.860 | 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 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50190145
(CHEMBL3828641)Show SMILES NS(=O)(=O)c1ccc(CCn2c(S)nc3cc(Br)ccc3c2=O)cc1 Show InChI InChI=1S/C16H14BrN3O3S2/c17-11-3-6-13-14(9-11)19-16(24)20(15(13)21)8-7-10-1-4-12(5-2-10)25(18,22)23/h1-6,9H,7-8H2,(H,19,24)(H2,18,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 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 CA2 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50190143
(CHEMBL3827651)Show SMILES COc1ccc2nc(S)n(CCc3ccc(cc3)S(N)(=O)=O)c(=O)c2c1 Show InChI InChI=1S/C17H17N3O4S2/c1-24-12-4-7-15-14(10-12)16(21)20(17(25)19-15)9-8-11-2-5-13(6-3-11)26(18,22)23/h2-7,10H,8-9H2,1H3,(H,19,25)(H2,18,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | 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 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50190136
(CHEMBL3827113)Show SMILES COc1cc2nc(S)n(CCc3ccc(cc3)S(N)(=O)=O)c(=O)c2cc1OC Show InChI InChI=1S/C18H19N3O5S2/c1-25-15-9-13-14(10-16(15)26-2)20-18(27)21(17(13)22)8-7-11-3-5-12(6-4-11)28(19,23)24/h3-6,9-10H,7-8H2,1-2H3,(H,20,27)(H2,19,23,24) | 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 CA2 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50190139
(CHEMBL3828646)Show SMILES Cc1cccc2c1nc(S)n(CCc1ccc(cc1)S(N)(=O)=O)c2=O Show InChI InChI=1S/C17H17N3O3S2/c1-11-3-2-4-14-15(11)19-17(24)20(16(14)21)10-9-12-5-7-13(8-6-12)25(18,22)23/h2-8H,9-10H2,1H3,(H,19,24)(H2,18,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20 | 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 CA2 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50190145
(CHEMBL3828641)Show SMILES NS(=O)(=O)c1ccc(CCn2c(S)nc3cc(Br)ccc3c2=O)cc1 Show InChI InChI=1S/C16H14BrN3O3S2/c17-11-3-6-13-14(9-11)19-16(24)20(15(13)21)8-7-10-1-4-12(5-2-10)25(18,22)23/h1-6,9H,7-8H2,(H,19,24)(H2,18,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 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 CA12 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50190140
(CHEMBL3827381)Show SMILES Cc1ccc2nc(S)n(CCc3ccc(cc3)S(N)(=O)=O)c(=O)c2c1 Show InChI InChI=1S/C17H17N3O3S2/c1-11-2-7-15-14(10-11)16(21)20(17(24)19-15)9-8-12-3-5-13(6-4-12)25(18,22)23/h2-7,10H,8-9H2,1H3,(H,19,24)(H2,18,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.5 | 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 CA12 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50190135
(CHEMBL3828573)Show SMILES COc1cccc2c1nc(S)n(CCc1ccc(cc1)S(N)(=O)=O)c2=O Show InChI InChI=1S/C17H17N3O4S2/c1-24-14-4-2-3-13-15(14)19-17(25)20(16(13)21)10-9-11-5-7-12(8-6-11)26(18,22)23/h2-8H,9-10H2,1H3,(H,19,25)(H2,18,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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 CA12 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
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 CA12 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50190147
(CHEMBL3828207)Show SMILES NS(=O)(=O)c1ccc(CCn2c(S)nc3ccc(Cl)cc3c2=O)cc1 Show InChI InChI=1S/C16H14ClN3O3S2/c17-11-3-6-14-13(9-11)15(21)20(16(24)19-14)8-7-10-1-4-12(5-2-10)25(18,22)23/h1-6,9H,7-8H2,(H,19,24)(H2,18,22,23) | 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 CA2 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50190137
(CHEMBL3827090)Show SMILES COc1cc2c(nc(S)n(CCc3ccc(cc3)S(N)(=O)=O)c2=O)c(OC)c1OC Show InChI InChI=1S/C19H21N3O6S2/c1-26-14-10-13-15(17(28-3)16(14)27-2)21-19(29)22(18(13)23)9-8-11-4-6-12(7-5-11)30(20,24)25/h4-7,10H,8-9H2,1-3H3,(H,21,29)(H2,20,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.10 | 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 CA12 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50190141
(CHEMBL3828667)Show SMILES NS(=O)(=O)c1ccc(CCn2c(S)nc3cc(F)ccc3c2=O)cc1 Show InChI InChI=1S/C16H14FN3O3S2/c17-11-3-6-13-14(9-11)19-16(24)20(15(13)21)8-7-10-1-4-12(5-2-10)25(18,22)23/h1-6,9H,7-8H2,(H,19,24)(H2,18,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.10 | 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 CA2 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50190137
(CHEMBL3827090)Show SMILES COc1cc2c(nc(S)n(CCc3ccc(cc3)S(N)(=O)=O)c2=O)c(OC)c1OC Show InChI InChI=1S/C19H21N3O6S2/c1-26-14-10-13-15(17(28-3)16(14)27-2)21-19(29)22(18(13)23)9-8-11-4-6-12(7-5-11)30(20,24)25/h4-7,10H,8-9H2,1-3H3,(H,21,29)(H2,20,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of human CA2 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
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 CA2 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50190133
(CHEMBL1383680)Show SMILES NS(=O)(=O)c1ccc(CCn2c(=S)[nH]c3ccc(F)cc3c2=O)cc1 Show InChI InChI=1S/C16H14FN3O3S2/c17-11-3-6-14-13(9-11)15(21)20(16(24)19-14)8-7-10-1-4-12(5-2-10)25(18,22)23/h1-6,9H,7-8H2,(H,19,24)(H2,18,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| 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 CA2 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50190142
(CHEMBL3828241)Show SMILES COc1ccc2c(c1)nc(S)n(CCc1ccc(cc1)S(N)(=O)=O)c2=O Show InChI InChI=1S/C17H17N3O4S2/c1-24-12-4-7-14-15(10-12)19-17(25)20(16(14)21)9-8-11-2-5-13(6-3-11)26(18,22)23/h2-7,10H,8-9H2,1H3,(H,19,25)(H2,18,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 29 | 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 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50190134
(CHEMBL1433252)Show SMILES NS(=O)(=O)c1ccc(CCn2c(=S)[nH]c3ccccc3c2=O)cc1 Show InChI InChI=1S/C16H15N3O3S2/c17-24(21,22)12-7-5-11(6-8-12)9-10-19-15(20)13-3-1-2-4-14(13)18-16(19)23/h1-8H,9-10H2,(H,18,23)(H2,17,21,22) | 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
| 32 | 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 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50190135
(CHEMBL3828573)Show SMILES COc1cccc2c1nc(S)n(CCc1ccc(cc1)S(N)(=O)=O)c2=O Show InChI InChI=1S/C17H17N3O4S2/c1-24-14-4-2-3-13-15(14)19-17(25)20(16(13)21)10-9-11-5-7-12(8-6-11)26(18,22)23/h2-8H,9-10H2,1H3,(H,19,25)(H2,18,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 32 | 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 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50190144
(CHEMBL3828520)Show SMILES NS(=O)(=O)c1ccc(CCn2c(S)nc3ccc(I)cc3c2=O)cc1 Show InChI InChI=1S/C16H14IN3O3S2/c17-11-3-6-14-13(9-11)15(21)20(16(24)19-14)8-7-10-1-4-12(5-2-10)25(18,22)23/h1-6,9H,7-8H2,(H,19,24)(H2,18,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 34 | 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 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50190141
(CHEMBL3828667)Show SMILES NS(=O)(=O)c1ccc(CCn2c(S)nc3cc(F)ccc3c2=O)cc1 Show InChI InChI=1S/C16H14FN3O3S2/c17-11-3-6-13-14(9-11)19-16(24)20(15(13)21)8-7-10-1-4-12(5-2-10)25(18,22)23/h1-6,9H,7-8H2,(H,19,24)(H2,18,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 CA1 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50190146
(CHEMBL3828598)Show SMILES NS(=O)(=O)c1ccc(CCn2c(S)nc3c(Cl)cccc3c2=O)cc1 Show InChI InChI=1S/C16H14ClN3O3S2/c17-13-3-1-2-12-14(13)19-16(24)20(15(12)21)9-8-10-4-6-11(7-5-10)25(18,22)23/h1-7H,8-9H2,(H,19,24)(H2,18,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 41 | 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 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50190135
(CHEMBL3828573)Show SMILES COc1cccc2c1nc(S)n(CCc1ccc(cc1)S(N)(=O)=O)c2=O Show InChI InChI=1S/C17H17N3O4S2/c1-24-14-4-2-3-13-15(14)19-17(25)20(16(13)21)10-9-11-5-7-12(8-6-11)26(18,22)23/h2-8H,9-10H2,1H3,(H,19,25)(H2,18,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 42 | 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 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50190140
(CHEMBL3827381)Show SMILES Cc1ccc2nc(S)n(CCc3ccc(cc3)S(N)(=O)=O)c(=O)c2c1 Show InChI InChI=1S/C17H17N3O3S2/c1-11-2-7-15-14(10-11)16(21)20(17(24)19-15)9-8-12-3-5-13(6-4-12)25(18,22)23/h2-7,10H,8-9H2,1H3,(H,19,24)(H2,18,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 56 | 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 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50190145
(CHEMBL3828641)Show SMILES NS(=O)(=O)c1ccc(CCn2c(S)nc3cc(Br)ccc3c2=O)cc1 Show InChI InChI=1S/C16H14BrN3O3S2/c17-11-3-6-13-14(9-11)19-16(24)20(15(13)21)8-7-10-1-4-12(5-2-10)25(18,22)23/h1-6,9H,7-8H2,(H,19,24)(H2,18,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 104 | 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 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50190143
(CHEMBL3827651)Show SMILES COc1ccc2nc(S)n(CCc3ccc(cc3)S(N)(=O)=O)c(=O)c2c1 Show InChI InChI=1S/C17H17N3O4S2/c1-24-12-4-7-15-14(10-12)16(21)20(17(25)19-15)9-8-11-2-5-13(6-3-11)26(18,22)23/h2-7,10H,8-9H2,1H3,(H,19,25)(H2,18,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 150 | 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 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50190147
(CHEMBL3828207)Show SMILES NS(=O)(=O)c1ccc(CCn2c(S)nc3ccc(Cl)cc3c2=O)cc1 Show InChI InChI=1S/C16H14ClN3O3S2/c17-11-3-6-14-13(9-11)15(21)20(16(24)19-14)8-7-10-1-4-12(5-2-10)25(18,22)23/h1-6,9H,7-8H2,(H,19,24)(H2,18,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 153 | 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 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50190133
(CHEMBL1383680)Show SMILES NS(=O)(=O)c1ccc(CCn2c(=S)[nH]c3ccc(F)cc3c2=O)cc1 Show InChI InChI=1S/C16H14FN3O3S2/c17-11-3-6-14-13(9-11)15(21)20(16(24)19-14)8-7-10-1-4-12(5-2-10)25(18,22)23/h1-6,9H,7-8H2,(H,19,24)(H2,18,22,23) | 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
| 212 | 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 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| 250 | 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 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50190137
(CHEMBL3827090)Show SMILES COc1cc2c(nc(S)n(CCc3ccc(cc3)S(N)(=O)=O)c2=O)c(OC)c1OC Show InChI InChI=1S/C19H21N3O6S2/c1-26-14-10-13-15(17(28-3)16(14)27-2)21-19(29)22(18(13)23)9-8-11-4-6-12(7-5-11)30(20,24)25/h4-7,10H,8-9H2,1-3H3,(H,21,29)(H2,20,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 268 | 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 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50190140
(CHEMBL3827381)Show SMILES Cc1ccc2nc(S)n(CCc3ccc(cc3)S(N)(=O)=O)c(=O)c2c1 Show InChI InChI=1S/C17H17N3O3S2/c1-11-2-7-15-14(10-11)16(21)20(17(24)19-15)9-8-12-3-5-13(6-4-12)25(18,22)23/h2-7,10H,8-9H2,1H3,(H,19,24)(H2,18,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 296 | 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 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50190136
(CHEMBL3827113)Show SMILES COc1cc2nc(S)n(CCc3ccc(cc3)S(N)(=O)=O)c(=O)c2cc1OC Show InChI InChI=1S/C18H19N3O5S2/c1-25-15-9-13-14(10-16(15)26-2)20-18(27)21(17(13)22)8-7-11-3-5-12(6-4-11)28(19,23)24/h3-6,9-10H,7-8H2,1-2H3,(H,20,27)(H2,19,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 678 | 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 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50190138
(CHEMBL3828605)Show SMILES Cc1cc(C)c2nc(S)n(CCc3ccc(cc3)S(N)(=O)=O)c(=O)c2c1 Show InChI InChI=1S/C18H19N3O3S2/c1-11-9-12(2)16-15(10-11)17(22)21(18(25)20-16)8-7-13-3-5-14(6-4-13)26(19,23)24/h3-6,9-10H,7-8H2,1-2H3,(H,20,25)(H2,19,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40E+3 | 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 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50190139
(CHEMBL3828646)Show SMILES Cc1cccc2c1nc(S)n(CCc1ccc(cc1)S(N)(=O)=O)c2=O Show InChI InChI=1S/C17H17N3O3S2/c1-11-3-2-4-14-15(11)19-17(24)20(16(14)21)10-9-12-5-7-13(8-6-12)25(18,22)23/h2-8H,9-10H2,1H3,(H,19,24)(H2,18,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.95E+3 | 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 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this
Ligand-Target Pair | |
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