BindingDB logo
myBDB logout

null

SMILES: NC(=O)c1cc(c(Cl)cc1SCCc1ccccc1)S(N)(=O)=O

InChI Key: InChIKey=YEZJTTVQWKXURB-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 50504911   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 13


(Homo sapiens (Human))
BDBM50504911
PNG
(CHEMBL4456851)
Show SMILES NC(=O)c1cc(c(Cl)cc1SCCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O3S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(17)19)8-14(12)23(18,20)21/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,20,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.130n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 13 expressed in Escherichia coli expression system assessed as kinetic dissociation constant...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50504911
PNG
(CHEMBL4456851)
Show SMILES NC(=O)c1cc(c(Cl)cc1SCCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O3S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(17)19)8-14(12)23(18,20)21/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.0100n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 14 expressed in Escherichia coli expression system assessed as kinetic dissociation constant...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50504911
PNG
(CHEMBL4456851)
Show SMILES NC(=O)c1cc(c(Cl)cc1SCCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O3S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(17)19)8-14(12)23(18,20)21/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 6.70n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 9 expressed in mammalian cell expression system assessed as observed dissociation constant f...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50504911
PNG
(CHEMBL4456851)
Show SMILES NC(=O)c1cc(c(Cl)cc1SCCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O3S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(17)19)8-14(12)23(18,20)21/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.0900n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 7 expressed in Escherichia coli expression system assessed as kinetic dissociation constant ...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50504911
PNG
(CHEMBL4456851)
Show SMILES NC(=O)c1cc(c(Cl)cc1SCCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O3S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(17)19)8-14(12)23(18,20)21/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.0100n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 9 expressed in mammalian cell expression system assessed as kinetic dissociation constant fl...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50504911
PNG
(CHEMBL4456851)
Show SMILES NC(=O)c1cc(c(Cl)cc1SCCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O3S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(17)19)8-14(12)23(18,20)21/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.0700n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 2 expressed in Escherichia coli expression system assessed as kinetic dissociation constant ...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM50504911
PNG
(CHEMBL4456851)
Show SMILES NC(=O)c1cc(c(Cl)cc1SCCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O3S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(17)19)8-14(12)23(18,20)21/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 530n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 5a expressed in Escherichia coli expression system assessed as observed dissociation constan...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50504911
PNG
(CHEMBL4456851)
Show SMILES NC(=O)c1cc(c(Cl)cc1SCCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O3S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(17)19)8-14(12)23(18,20)21/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 25n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 2 expressed in Escherichia coli expression system assessed as observed dissociation constant...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50504911
PNG
(CHEMBL4456851)
Show SMILES NC(=O)c1cc(c(Cl)cc1SCCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O3S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(17)19)8-14(12)23(18,20)21/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 13n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 1 expressed in Escherichia coli expression system assessed as kinetic dissociation constant ...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
More data for this
Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial


(Homo sapiens (Human))
BDBM50504911
PNG
(CHEMBL4456851)
Show SMILES NC(=O)c1cc(c(Cl)cc1SCCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O3S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(17)19)8-14(12)23(18,20)21/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.5n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as observed dissociation constan...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50504911
PNG
(CHEMBL4456851)
Show SMILES NC(=O)c1cc(c(Cl)cc1SCCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O3S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(17)19)8-14(12)23(18,20)21/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.100n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 12 expressed in Escherichia coli expression system assessed as kinetic dissociation constant...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))
BDBM50504911
PNG
(CHEMBL4456851)
Show SMILES NC(=O)c1cc(c(Cl)cc1SCCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O3S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(17)19)8-14(12)23(18,20)21/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,20,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.60E+3n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 6 expressed in Escherichia coli expression system assessed as observed dissociation constant...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50504911
PNG
(CHEMBL4456851)
Show SMILES NC(=O)c1cc(c(Cl)cc1SCCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O3S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(17)19)8-14(12)23(18,20)21/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.20E+3n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 1 expressed in Escherichia coli expression system assessed as observed dissociation constant...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM50504911
PNG
(CHEMBL4456851)
Show SMILES NC(=O)c1cc(c(Cl)cc1SCCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O3S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(17)19)8-14(12)23(18,20)21/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.20n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 5a expressed in Escherichia coli expression system assessed as kinetic dissociation constant...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
More data for this
Ligand-Target Pair
Carbonic anhydrase 3


(Homo sapiens (Human))
BDBM50504911
PNG
(CHEMBL4456851)
Show SMILES NC(=O)c1cc(c(Cl)cc1SCCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O3S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(17)19)8-14(12)23(18,20)21/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 75n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 3 expressed in Escherichia coli expression system assessed as kinetic dissociation constant ...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))
BDBM50504911
PNG
(CHEMBL4456851)
Show SMILES NC(=O)c1cc(c(Cl)cc1SCCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O3S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(17)19)8-14(12)23(18,20)21/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,20,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.910n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 6 expressed in Escherichia coli expression system assessed as kinetic dissociation constant ...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
More data for this
Ligand-Target Pair
Carbonic anhydrase 13


(Homo sapiens (Human))
BDBM50504911
PNG
(CHEMBL4456851)
Show SMILES NC(=O)c1cc(c(Cl)cc1SCCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O3S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(17)19)8-14(12)23(18,20)21/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,20,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 22n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 13 expressed in Escherichia coli expression system assessed as observed dissociation constan...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50504911
PNG
(CHEMBL4456851)
Show SMILES NC(=O)c1cc(c(Cl)cc1SCCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O3S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(17)19)8-14(12)23(18,20)21/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 5.60n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 14 expressed in Escherichia coli expression system assessed as observed dissociation constan...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50504911
PNG
(CHEMBL4456851)
Show SMILES NC(=O)c1cc(c(Cl)cc1SCCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O3S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(17)19)8-14(12)23(18,20)21/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 100n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 4 expressed in Escherichia coli expression system assessed as observed dissociation constant...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
More data for this
Ligand-Target Pair
Carbonic anhydrase 3


(Homo sapiens (Human))
BDBM50504911
PNG
(CHEMBL4456851)
Show SMILES NC(=O)c1cc(c(Cl)cc1SCCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O3S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(17)19)8-14(12)23(18,20)21/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 5.00E+4n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 3 expressed in Escherichia coli expression system assessed as observed dissociation constant...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50504911
PNG
(CHEMBL4456851)
Show SMILES NC(=O)c1cc(c(Cl)cc1SCCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O3S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(17)19)8-14(12)23(18,20)21/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 40n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 7 expressed in Escherichia coli expression system assessed as observed dissociation constant...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50504911
PNG
(CHEMBL4456851)
Show SMILES NC(=O)c1cc(c(Cl)cc1SCCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O3S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(17)19)8-14(12)23(18,20)21/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.170n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 4 expressed in Escherichia coli expression system assessed as kinetic dissociation constant ...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
More data for this
Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial


(Homo sapiens (Human))
BDBM50504911
PNG
(CHEMBL4456851)
Show SMILES NC(=O)c1cc(c(Cl)cc1SCCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O3S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(17)19)8-14(12)23(18,20)21/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.00800n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50504911
PNG
(CHEMBL4456851)
Show SMILES NC(=O)c1cc(c(Cl)cc1SCCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O3S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(17)19)8-14(12)23(18,20)21/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 40n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 12 expressed in Escherichia coli expression system assessed as observed dissociation constan...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
More data for this
Ligand-Target Pair