BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 30299 hits with Last Name = 'supuran' and Initial = 'ct'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50114862
PNG
(CHEMBL3608874)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cnc(o1)C(=O)N1CCOCC1
Show InChI InChI=1S/C14H15N3O5S/c15-23(19,20)11-3-1-10(2-4-11)12-9-16-13(22-12)14(18)17-5-7-21-8-6-17/h1-4,9H,5-8H2,(H2,15,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.00800n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method


Eur J Med Chem 101: 334-47 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.022
BindingDB Entry DOI: 10.7270/Q2W95BZC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50114861
PNG
(CHEMBL3608873)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cnc(o1)C(=O)N1CCCC1
Show InChI InChI=1S/C14H15N3O4S/c15-22(19,20)11-5-3-10(4-6-11)12-9-16-13(21-12)14(18)17-7-1-2-8-17/h3-6,9H,1-2,7-8H2,(H2,15,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.00900n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method


Eur J Med Chem 101: 334-47 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.022
BindingDB Entry DOI: 10.7270/Q2W95BZC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50114861
PNG
(CHEMBL3608873)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cnc(o1)C(=O)N1CCCC1
Show InChI InChI=1S/C14H15N3O4S/c15-22(19,20)11-5-3-10(4-6-11)12-9-16-13(21-12)14(18)17-7-1-2-8-17/h3-6,9H,1-2,7-8H2,(H2,15,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.0100n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method


Eur J Med Chem 101: 334-47 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.022
BindingDB Entry DOI: 10.7270/Q2W95BZC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50114862
PNG
(CHEMBL3608874)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cnc(o1)C(=O)N1CCOCC1
Show InChI InChI=1S/C14H15N3O5S/c15-23(19,20)11-3-1-10(2-4-11)12-9-16-13(22-12)14(18)17-5-7-21-8-6-17/h1-4,9H,5-8H2,(H2,15,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0100n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method


Eur J Med Chem 101: 334-47 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.022
BindingDB Entry DOI: 10.7270/Q2W95BZC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50114859
PNG
(CHEMBL3608871)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cnc(o1)C1CC1
Show InChI InChI=1S/C12H12N2O3S/c13-18(15,16)10-5-3-8(4-6-10)11-7-14-12(17-11)9-1-2-9/h3-7,9H,1-2H2,(H2,13,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0100n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method


Eur J Med Chem 101: 334-47 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.022
BindingDB Entry DOI: 10.7270/Q2W95BZC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50114869
PNG
(CHEMBL3608881)
Show SMILES Cc1ccc(cc1S(N)(=O)=O)-c1cnc(o1)C(=O)N1CCCC1
Show InChI InChI=1S/C15H17N3O4S/c1-10-4-5-11(8-13(10)23(16,20)21)12-9-17-14(22-12)15(19)18-6-2-3-7-18/h4-5,8-9H,2-3,6-7H2,1H3,(H2,16,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0100n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method


Eur J Med Chem 101: 334-47 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.022
BindingDB Entry DOI: 10.7270/Q2W95BZC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50114855
PNG
(CHEMBL3608892)
Show SMILES NS(=O)(=O)c1cc(cs1)-c1cnc(o1)C1CCC1
Show InChI InChI=1S/C11H12N2O3S2/c12-18(14,15)10-4-8(6-17-10)9-5-13-11(16-9)7-2-1-3-7/h4-7H,1-3H2,(H2,12,14,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0100n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method


Eur J Med Chem 101: 334-47 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.022
BindingDB Entry DOI: 10.7270/Q2W95BZC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50114850
PNG
(CHEMBL3608887)
Show SMILES NS(=O)(=O)c1ccc(s1)-c1cnc(o1)C1CCC1
Show InChI InChI=1S/C11H12N2O3S2/c12-18(14,15)10-5-4-9(17-10)8-6-13-11(16-8)7-2-1-3-7/h4-7H,1-3H2,(H2,12,14,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0100n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method


Eur J Med Chem 101: 334-47 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.022
BindingDB Entry DOI: 10.7270/Q2W95BZC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50114851
PNG
(CHEMBL3608888)
Show SMILES NS(=O)(=O)c1ccc(s1)-c1cnc(o1)C(=O)N1CCCC1
Show InChI InChI=1S/C12H13N3O4S2/c13-21(17,18)10-4-3-9(20-10)8-7-14-11(19-8)12(16)15-5-1-2-6-15/h3-4,7H,1-2,5-6H2,(H2,13,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0100n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method


Eur J Med Chem 101: 334-47 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.022
BindingDB Entry DOI: 10.7270/Q2W95BZC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50114853
PNG
(CHEMBL3608890)
Show SMILES Cc1ncc(o1)-c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C8H8N2O3S2/c1-5-10-3-7(13-5)6-2-8(14-4-6)15(9,11)12/h2-4H,1H3,(H2,9,11,12)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0100n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method


Eur J Med Chem 101: 334-47 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.022
BindingDB Entry DOI: 10.7270/Q2W95BZC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50114846
PNG
(CHEMBL3608883)
Show SMILES COc1ccc(cc1S(N)(=O)=O)-c1cnc(o1)C(=O)N1CCCC1
Show InChI InChI=1S/C15H17N3O5S/c1-22-11-5-4-10(8-13(11)24(16,20)21)12-9-17-14(23-12)15(19)18-6-2-3-7-18/h4-5,8-9H,2-3,6-7H2,1H3,(H2,16,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0100n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method


Eur J Med Chem 101: 334-47 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.022
BindingDB Entry DOI: 10.7270/Q2W95BZC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50114860
PNG
(CHEMBL3608872)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cnc(o1)C1CCC1
Show InChI InChI=1S/C13H14N2O3S/c14-19(16,17)11-6-4-9(5-7-11)12-8-15-13(18-12)10-2-1-3-10/h4-8,10H,1-3H2,(H2,14,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0200n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method


Eur J Med Chem 101: 334-47 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.022
BindingDB Entry DOI: 10.7270/Q2W95BZC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50114856
PNG
(CHEMBL3608893)
Show SMILES NS(=O)(=O)c1cc(cs1)-c1cnc(o1)C(=O)N1CCCC1
Show InChI InChI=1S/C12H13N3O4S2/c13-21(17,18)10-5-8(7-20-10)9-6-14-11(19-9)12(16)15-3-1-2-4-15/h5-7H,1-4H2,(H2,13,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.0200n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method


Eur J Med Chem 101: 334-47 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.022
BindingDB Entry DOI: 10.7270/Q2W95BZC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50114852
PNG
(CHEMBL3608889)
Show SMILES NS(=O)(=O)c1ccc(s1)-c1cnc(o1)C(=O)N1CCOCC1
Show InChI InChI=1S/C12H13N3O5S2/c13-22(17,18)10-2-1-9(21-10)8-7-14-11(20-8)12(16)15-3-5-19-6-4-15/h1-2,7H,3-6H2,(H2,13,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0200n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method


Eur J Med Chem 101: 334-47 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.022
BindingDB Entry DOI: 10.7270/Q2W95BZC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50114857
PNG
(CHEMBL3608894)
Show SMILES NS(=O)(=O)c1cc(cs1)-c1cnc(o1)C(=O)N1CCOCC1
Show InChI InChI=1S/C12H13N3O5S2/c13-22(17,18)10-5-8(7-21-10)9-6-14-11(20-9)12(16)15-1-3-19-4-2-15/h5-7H,1-4H2,(H2,13,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0300n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method


Eur J Med Chem 101: 334-47 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.022
BindingDB Entry DOI: 10.7270/Q2W95BZC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50114853
PNG
(CHEMBL3608890)
Show SMILES Cc1ncc(o1)-c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C8H8N2O3S2/c1-5-10-3-7(13-5)6-2-8(14-4-6)15(9,11)12/h2-4H,1H3,(H2,9,11,12)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0500n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method


Eur J Med Chem 101: 334-47 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.022
BindingDB Entry DOI: 10.7270/Q2W95BZC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50114847
PNG
(CHEMBL3608884)
Show SMILES COc1ccc(cc1S(N)(=O)=O)-c1cnc(o1)C(=O)N1CCOCC1
Show InChI InChI=1S/C15H17N3O6S/c1-22-11-3-2-10(8-13(11)25(16,20)21)12-9-17-14(24-12)15(19)18-4-6-23-7-5-18/h2-3,8-9H,4-7H2,1H3,(H2,16,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0500n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method


Eur J Med Chem 101: 334-47 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.022
BindingDB Entry DOI: 10.7270/Q2W95BZC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50114858
PNG
(CHEMBL3608870)
Show SMILES Cc1ncc(o1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C10H10N2O3S/c1-7-12-6-10(15-7)8-2-4-9(5-3-8)16(11,13)14/h2-6H,1H3,(H2,11,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0500n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method


Eur J Med Chem 101: 334-47 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.022
BindingDB Entry DOI: 10.7270/Q2W95BZC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50106422
PNG
(CHEMBL3601892)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=c1/scc(-c2cccs2)n1C1CCCCC1
Show InChI InChI=1S/C19H21N3O2S3/c20-27(23,24)16-10-8-14(9-11-16)21-19-22(15-5-2-1-3-6-15)17(13-26-19)18-7-4-12-25-18/h4,7-13,15H,1-3,5-6H2,(H2,20,23,24)/b21-19-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0700n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2


Bioorg Med Chem Lett 25: 3281-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.076
BindingDB Entry DOI: 10.7270/Q2RB76CZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50114857
PNG
(CHEMBL3608894)
Show SMILES NS(=O)(=O)c1cc(cs1)-c1cnc(o1)C(=O)N1CCOCC1
Show InChI InChI=1S/C12H13N3O5S2/c13-22(17,18)10-5-8(7-21-10)9-6-14-11(20-9)12(16)15-1-3-19-4-2-15/h5-7H,1-4H2,(H2,13,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0900n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method


Eur J Med Chem 101: 334-47 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.022
BindingDB Entry DOI: 10.7270/Q2W95BZC
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM11354
PNG
(Hydroxamate 35 | N-Pentafluorophenylsulfonyl-N-4-n...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)N(=O)=O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C15H10F5N3O6S/c16-10-11(17)13(19)15(14(20)12(10)18)30(28,29)22(6-9(24)21-25)5-7-1-3-8(4-2-7)23(26)27/h1-4,25H,5-6H2,(H,21,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.100n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50088118
PNG
(2-(N-(4-nitrobenzyl)-2,3,4,5,6-pentafluorophenylsu...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C15H10F5N3O6S/c16-10-11(17)13(19)15(14(20)12(10)18)30(28,29)22(6-9(24)21-25)5-7-1-3-8(4-2-7)23(26)27/h1-4,25H,5-6H2,(H,21,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.100n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Matrix Metalloprotease-8


J Med Chem 43: 1858-65 (2000)


Article DOI: 10.1021/jm990594k
BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50153970
PNG
(4-(4,6-Diethoxy-[1,3,5]triazin-2-ylamino)-benzenes...)
Show SMILES CCOc1nc(Nc2ccc(cc2)S(N)(=O)=O)nc(OCC)n1
Show InChI InChI=1S/C13H17N5O4S/c1-3-21-12-16-11(17-13(18-12)22-4-2)15-9-5-7-10(8-6-9)23(14,19)20/h5-8H,3-4H2,1-2H3,(H2,14,19,20)(H,15,16,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.120n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase IX expressed in Escherichia coli BL21


Bioorg Med Chem Lett 14: 5427-33 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.087
BindingDB Entry DOI: 10.7270/Q2XD12DQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50153971
PNG
(4-(4,6-Dichloro-[1,3,5]triazin-2-ylamino)-benzenes...)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1
Show InChI InChI=1S/C9H7Cl2N5O2S/c10-7-14-8(11)16-9(15-7)13-5-1-3-6(4-2-5)19(12,17)18/h1-4H,(H2,12,17,18)(H,13,14,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.150n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase IX expressed in Escherichia coli BL21


Bioorg Med Chem Lett 14: 5427-33 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.087
BindingDB Entry DOI: 10.7270/Q2XD12DQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50153971
PNG
(4-(4,6-Dichloro-[1,3,5]triazin-2-ylamino)-benzenes...)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1
Show InChI InChI=1S/C9H7Cl2N5O2S/c10-7-14-8(11)16-9(15-7)13-5-1-3-6(4-2-5)19(12,17)18/h1-4H,(H2,12,17,18)(H,13,14,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.150n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 by stopped flow CO2 hydration assay


Bioorg Med Chem 17: 553-7 (2009)


Article DOI: 10.1016/j.bmc.2008.11.071
BindingDB Entry DOI: 10.7270/Q28K790B
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50153971
PNG
(4-(4,6-Dichloro-[1,3,5]triazin-2-ylamino)-benzenes...)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1
Show InChI InChI=1S/C9H7Cl2N5O2S/c10-7-14-8(11)16-9(15-7)13-5-1-3-6(4-2-5)19(12,17)18/h1-4H,(H2,12,17,18)(H,13,14,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.150n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)


Article DOI: 10.1016/j.bmc.2011.04.005
BindingDB Entry DOI: 10.7270/Q2FF3SQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50146823
PNG
(CHEMBL3764718)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C14H12N2O2S/c15-19(17,18)13-4-1-10(2-5-13)11-3-6-14-12(9-11)7-8-16-14/h1-9,16H,(H2,15,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.170n/an/an/an/an/an/an/an/a



Universit£ de Reims Champagne-Ardenne

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by CO2 hydration-based stopped flow assay


J Med Chem 59: 721-32 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01771
BindingDB Entry DOI: 10.7270/Q2K0764T
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50107375
PNG
(CHEMBL3601459)
Show SMILES CC(=O)N1N=C(CC1c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccccc1
Show InChI InChI=1S/C21H20ClN5O3S/c1-13-20(19-12-18(25-26(19)14(2)28)15-6-4-3-5-7-15)21(22)27(24-13)16-8-10-17(11-9-16)31(23,29)30/h3-11,19H,12H2,1-2H3,(H2,23,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.170n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 25: 3208-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.096
BindingDB Entry DOI: 10.7270/Q2PC345N
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM210938
PNG
(4-(3-quinolinyl)-benzenesulfonamide (4p))
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C15H12N2O2S/c16-20(18,19)14-7-5-11(6-8-14)13-9-12-3-1-2-4-15(12)17-10-13/h1-10H,(H2,16,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
PDB
UniChem
Article
PubMed
0.180n/an/an/an/an/an/an/an/a



Universit£ de Reims Champagne-Ardenne

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by CO2 hydration-based stopped flow assay


J Med Chem 59: 721-32 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01771
BindingDB Entry DOI: 10.7270/Q2K0764T
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50239278
PNG
(CHEMBL4095957)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2[C@@H]1c1ccccc1
Show InChI InChI=1S/C22H20N2O5S/c23-30(28,29)17-8-6-15(7-9-17)22(27)24-11-10-16-12-19(25)20(26)13-18(16)21(24)14-4-2-1-3-5-14/h1-9,12-13,21,25-26H,10-11H2,(H2,23,28,29)/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
0.190n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50239281
PNG
(CHEMBL4100218)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccccc1
Show InChI InChI=1S/C22H20N2O5S/c23-30(28,29)17-8-6-15(7-9-17)22(27)24-11-10-16-12-19(25)20(26)13-18(16)21(24)14-4-2-1-3-5-14/h1-9,12-13,21,25-26H,10-11H2,(H2,23,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
0.200n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50094456
PNG
(6-Pentafluorobenzenesulfonylamino-benzothiazole-2-...)
Show SMILES NS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)cc2s1
Show InChI InChI=1S/C13H6F5N3O4S3/c14-7-8(15)10(17)12(11(18)9(7)16)28(24,25)21-4-1-2-5-6(3-4)26-13(20-5)27(19,22)23/h1-3,21H,(H2,19,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.200n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase II (CA2)


J Med Chem 43: 4542-51 (2000)


Article DOI: 10.1021/jm000296j
BindingDB Entry DOI: 10.7270/Q2BV7HBP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM11626
PNG
(β-CA inhibitor, 2 | 2-N-(4-amino-3-bromo-5-fl...)
Show SMILES Nc1c(F)cc(cc1Br)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H7BrFN5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.200n/an/an/an/an/an/an/an/a



University of Agricultural Sciences and Veterinary Medicine



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 46: 2187-96 (2003)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2XK8CR9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 9 (CA IX)


(Homo sapiens (Human))
BDBM210938
PNG
(4-(3-quinolinyl)-benzenesulfonamide (4p))
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C15H12N2O2S/c16-20(18,19)14-7-5-11(6-8-14)13-9-12-3-1-2-4-15(12)17-10-13/h1-10H,(H2,16,18,19)
PDB

GoogleScholar
PC cid
PC sid
PDB
UniChem
Article
PubMed
0.200n/an/an/an/an/an/an/an/a



University of Florida



Assay Description
CA-catalyzed CO2 hydration activity methods were published previously by Cornelio et al. as part of a larger series of benzenesulfonamide-based inhib...


Chembiochem 18: 213-222 (2017)


Article DOI: 10.1002/cbic.201600513
BindingDB Entry DOI: 10.7270/Q27H1HFC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM14722
PNG
(1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...)
Show SMILES Cc1cc(cc(C)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C21H20N5O4S3/c1-14-12-17(16-6-4-3-5-7-16)13-15(2)26(14)18-8-10-19(11-9-18)33(29,30)25-20-23-24-21(31-20)32(22,27)28/h3-13H,1-2H3,(H,23,25)(H2,22,27,28)/q+1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.200 -54.4n/an/an/an/an/a7.420



Università degli Studi di Firenze



Assay Description
The initial rates of 4-nitrophenylacetate hydrolysis catalysed by different CA isozymes were monitored spectrophotometrically at 400nm with a Cary 3 ...


J Enzyme Inhib Med Chem 19: 269-73 (2004)


Article DOI: 10.1080/14756360410001689559
BindingDB Entry DOI: 10.7270/Q20C4TBB
More data for this
Ligand-Target Pair
Carbonic anhydrase 9 (CA IX)


(Homo sapiens (Human))
BDBM210935
PNG
(4-(phenyl)-bezenesulfonamide (4a))
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C12H11NO2S/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)
PDB

GoogleScholar
Purchase

PC cid
PC sid
PDB
UniChem
Article
PubMed
0.200n/an/an/an/an/an/an/an/a



University of Florida



Assay Description
CA-catalyzed CO2 hydration activity methods were published previously by Cornelio et al. as part of a larger series of benzenesulfonamide-based inhib...


Chembiochem 18: 213-222 (2017)


Article DOI: 10.1002/cbic.201600513
BindingDB Entry DOI: 10.7270/Q27H1HFC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM14722
PNG
(1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...)
Show SMILES Cc1cc(cc(C)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C21H20N5O4S3/c1-14-12-17(16-6-4-3-5-7-16)13-15(2)26(14)18-8-10-19(11-9-18)33(29,30)25-20-23-24-21(31-20)32(22,27)28/h3-13H,1-2H3,(H,23,25)(H2,22,27,28)/q+1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.200n/an/an/an/an/an/an/an/a



Canadian Institutes of Health Research



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 2337-47 (2004)


Article DOI: 10.1021/jm031079w
BindingDB Entry DOI: 10.7270/Q2DV1H4B
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50239275
PNG
(CHEMBL4073364)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccc(F)cc1
Show InChI InChI=1S/C22H19FN2O5S/c23-16-5-1-13(2-6-16)21-18-12-20(27)19(26)11-15(18)9-10-25(21)22(28)14-3-7-17(8-4-14)31(24,29)30/h1-8,11-12,21,26-27H,9-10H2,(H2,24,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

PubMed
0.210n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50239283
PNG
(CHEMBL4068642)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2[C@H]1c1ccccc1
Show InChI InChI=1S/C22H20N2O5S/c23-30(28,29)17-8-6-15(7-9-17)22(27)24-11-10-16-12-19(25)20(26)13-18(16)21(24)14-4-2-1-3-5-14/h1-9,12-13,21,25-26H,10-11H2,(H2,23,28,29)/t21-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
0.210n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM14723
PNG
(1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...)
Show SMILES CCc1cc(cc(CC)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C23H24N5O4S3/c1-3-18-14-17(16-8-6-5-7-9-16)15-19(4-2)28(18)20-10-12-21(13-11-20)35(31,32)27-22-25-26-23(33-22)34(24,29)30/h5-15H,3-4H2,1-2H3,(H,25,27)(H2,24,29,30)/q+1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.210n/an/an/an/an/an/an/an/a



Canadian Institutes of Health Research



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 2337-47 (2004)


Article DOI: 10.1021/jm031079w
BindingDB Entry DOI: 10.7270/Q2DV1H4B
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM210935
PNG
(4-(phenyl)-bezenesulfonamide (4a))
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C12H11NO2S/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
PDB
UniChem
Article
PubMed
0.210n/an/an/an/an/an/an/an/a



Universit£ de Reims Champagne-Ardenne

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by CO2 hydration-based stopped flow assay


J Med Chem 59: 721-32 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01771
BindingDB Entry DOI: 10.7270/Q2K0764T
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50146833
PNG
(CHEMBL3763841)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc2ccccc2s1
Show InChI InChI=1S/C14H11NO2S2/c15-19(16,17)12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)18-14/h1-9H,(H2,15,16,17)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.210n/an/an/an/an/an/an/an/a



Universit£ de Reims Champagne-Ardenne

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by CO2 hydration-based stopped flow assay


J Med Chem 59: 721-32 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01771
BindingDB Entry DOI: 10.7270/Q2K0764T
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50146600
PNG
(CHEMBL3763914)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C16H13NO2S/c17-20(18,19)16-9-7-13(8-10-16)15-6-5-12-3-1-2-4-14(12)11-15/h1-11H,(H2,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.220n/an/an/an/an/an/an/an/a



Universit£ de Reims Champagne-Ardenne

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by CO2 hydration-based stopped flow assay


J Med Chem 59: 721-32 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01771
BindingDB Entry DOI: 10.7270/Q2K0764T
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM25901
PNG
(4-chloro-N-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-...)
Show SMILES CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
0.230n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


Bioorg Med Chem Lett 18: 2567-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.051
BindingDB Entry DOI: 10.7270/Q23N21P7
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50146825
PNG
(CHEMBL3765197)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cn(c2ccccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H16N2O4S2/c21-27(23,24)16-12-10-15(11-13-16)19-14-22(20-9-5-4-8-18(19)20)28(25,26)17-6-2-1-3-7-17/h1-14H,(H2,21,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.240n/an/an/an/an/an/an/an/a



Universit£ de Reims Champagne-Ardenne

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by CO2 hydration-based stopped flow assay


J Med Chem 59: 721-32 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01771
BindingDB Entry DOI: 10.7270/Q2K0764T
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50147758
PNG
(CHEMBL3765745)
Show SMILES Cc1ccc2nc(S)n(-c3ccc(cc3)S(N)(=O)=O)c(=O)c2c1
Show InChI InChI=1S/C15H13N3O3S2/c1-9-2-7-13-12(8-9)14(19)18(15(22)17-13)10-3-5-11(6-4-10)23(16,20)21/h2-8H,1H3,(H,17,22)(H2,16,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
0.25n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50107371
PNG
(CHEMBL3601463)
Show SMILES CC(=O)N1N=C(CC1c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H19Cl2N5O3S/c1-12-20(21(23)28(25-12)16-7-9-17(10-8-16)32(24,30)31)19-11-18(26-27(19)13(2)29)14-3-5-15(22)6-4-14/h3-10,19H,11H2,1-2H3,(H2,24,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.260n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 25: 3208-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.096
BindingDB Entry DOI: 10.7270/Q2PC345N
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM14718
PNG
(1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...)
Show SMILES Cc1cc(C)[n+](c(C)c1)-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C16H18N5O4S3/c1-10-8-11(2)21(12(3)9-10)13-4-6-14(7-5-13)28(24,25)20-15-18-19-16(26-15)27(17,22)23/h4-9H,1-3H3,(H,18,20)(H2,17,22,23)/q+1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.260n/an/an/an/an/an/an/an/a



Canadian Institutes of Health Research



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 2337-47 (2004)


Article DOI: 10.1021/jm031079w
BindingDB Entry DOI: 10.7270/Q2DV1H4B
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50133408
PNG
(CHEMBL3632844)
Show SMILES Nc1ccc(cc1)C(=O)c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H16N2O3S/c20-17-9-5-16(6-10-17)19(22)15-3-1-13(2-4-15)14-7-11-18(12-8-14)25(21,23)24/h1-12H,20H2,(H2,21,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
0.260n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-14 assessed as CO2 hydration activity by stopped-flow method


J Med Chem 58: 8564-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01144
BindingDB Entry DOI: 10.7270/Q2FF3V5V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50114870
PNG
(CHEMBL3608882)
Show SMILES Cc1ccc(cc1S(N)(=O)=O)-c1cnc(o1)C(=O)N1CCOCC1
Show InChI InChI=1S/C15H17N3O5S/c1-10-2-3-11(8-13(10)24(16,20)21)12-9-17-14(23-12)15(19)18-4-6-22-7-5-18/h2-3,8-9H,4-7H2,1H3,(H2,16,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.280n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method


Eur J Med Chem 101: 334-47 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.022
BindingDB Entry DOI: 10.7270/Q2W95BZC
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 30299 total )  |  Next  |  Last  >>
Jump to: