BindingDB logo
myBDB logout

BDBM50239274 CHEMBL4079453

SMILES: NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1

InChI Key: InChIKey=DBLFHVJPOMZCBH-UHFFFAOYSA-N

Data: 18 KI

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 18 hits for monomerid = 50239274   
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


(Homo sapiens (Human))
BDBM50239274
PNG
(CHEMBL4079453)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1
Show InChI InChI=1S/C22H20N2O4S/c23-29(27,28)19-9-6-16(7-10-19)22(26)24-13-12-17-14-18(25)8-11-20(17)21(24)15-4-2-1-3-5-15/h1-11,14,21,25H,12-13H2,(H2,23,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.350n/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)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50239274
PNG
(CHEMBL4079453)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1
Show InChI InChI=1S/C22H20N2O4S/c23-29(27,28)19-9-6-16(7-10-19)22(26)24-13-12-17-14-18(25)8-11-20(17)21(24)15-4-2-1-3-5-15/h1-11,14,21,25H,12-13H2,(H2,23,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.490n/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)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50239274
PNG
(CHEMBL4079453)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1
Show InChI InChI=1S/C22H20N2O4S/c23-29(27,28)19-9-6-16(7-10-19)22(26)24-13-12-17-14-18(25)8-11-20(17)21(24)15-4-2-1-3-5-15/h1-11,14,21,25H,12-13H2,(H2,23,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.800n/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)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50239274
PNG
(CHEMBL4079453)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1
Show InChI InChI=1S/C22H20N2O4S/c23-29(27,28)19-9-6-16(7-10-19)22(26)24-13-12-17-14-18(25)8-11-20(17)21(24)15-4-2-1-3-5-15/h1-11,14,21,25H,12-13H2,(H2,23,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50239274
PNG
(CHEMBL4079453)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1
Show InChI InChI=1S/C22H20N2O4S/c23-29(27,28)19-9-6-16(7-10-19)22(26)24-13-12-17-14-18(25)8-11-20(17)21(24)15-4-2-1-3-5-15/h1-11,14,21,25H,12-13H2,(H2,23,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50239274
PNG
(CHEMBL4079453)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1
Show InChI InChI=1S/C22H20N2O4S/c23-29(27,28)19-9-6-16(7-10-19)22(26)24-13-12-17-14-18(25)8-11-20(17)21(24)15-4-2-1-3-5-15/h1-11,14,21,25H,12-13H2,(H2,23,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50239274
PNG
(CHEMBL4079453)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1
Show InChI InChI=1S/C22H20N2O4S/c23-29(27,28)19-9-6-16(7-10-19)22(26)24-13-12-17-14-18(25)8-11-20(17)21(24)15-4-2-1-3-5-15/h1-11,14,21,25H,12-13H2,(H2,23,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3.20n/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)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50239274
PNG
(CHEMBL4079453)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1
Show InChI InChI=1S/C22H20N2O4S/c23-29(27,28)19-9-6-16(7-10-19)22(26)24-13-12-17-14-18(25)8-11-20(17)21(24)15-4-2-1-3-5-15/h1-11,14,21,25H,12-13H2,(H2,23,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
4.5n/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)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50239274
PNG
(CHEMBL4079453)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1
Show InChI InChI=1S/C22H20N2O4S/c23-29(27,28)19-9-6-16(7-10-19)22(26)24-13-12-17-14-18(25)8-11-20(17)21(24)15-4-2-1-3-5-15/h1-11,14,21,25H,12-13H2,(H2,23,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
4.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50239274
PNG
(CHEMBL4079453)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1
Show InChI InChI=1S/C22H20N2O4S/c23-29(27,28)19-9-6-16(7-10-19)22(26)24-13-12-17-14-18(25)8-11-20(17)21(24)15-4-2-1-3-5-15/h1-11,14,21,25H,12-13H2,(H2,23,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
5n/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)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50239274
PNG
(CHEMBL4079453)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1
Show InChI InChI=1S/C22H20N2O4S/c23-29(27,28)19-9-6-16(7-10-19)22(26)24-13-12-17-14-18(25)8-11-20(17)21(24)15-4-2-1-3-5-15/h1-11,14,21,25H,12-13H2,(H2,23,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
5.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50239274
PNG
(CHEMBL4079453)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1
Show InChI InChI=1S/C22H20N2O4S/c23-29(27,28)19-9-6-16(7-10-19)22(26)24-13-12-17-14-18(25)8-11-20(17)21(24)15-4-2-1-3-5-15/h1-11,14,21,25H,12-13H2,(H2,23,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
6.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50239274
PNG
(CHEMBL4079453)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1
Show InChI InChI=1S/C22H20N2O4S/c23-29(27,28)19-9-6-16(7-10-19)22(26)24-13-12-17-14-18(25)8-11-20(17)21(24)15-4-2-1-3-5-15/h1-11,14,21,25H,12-13H2,(H2,23,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
6.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50239274
PNG
(CHEMBL4079453)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1
Show InChI InChI=1S/C22H20N2O4S/c23-29(27,28)19-9-6-16(7-10-19)22(26)24-13-12-17-14-18(25)8-11-20(17)21(24)15-4-2-1-3-5-15/h1-11,14,21,25H,12-13H2,(H2,23,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
7.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50239274
PNG
(CHEMBL4079453)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1
Show InChI InChI=1S/C22H20N2O4S/c23-29(27,28)19-9-6-16(7-10-19)22(26)24-13-12-17-14-18(25)8-11-20(17)21(24)15-4-2-1-3-5-15/h1-11,14,21,25H,12-13H2,(H2,23,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
8.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50239274
PNG
(CHEMBL4079453)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1
Show InChI InChI=1S/C22H20N2O4S/c23-29(27,28)19-9-6-16(7-10-19)22(26)24-13-12-17-14-18(25)8-11-20(17)21(24)15-4-2-1-3-5-15/h1-11,14,21,25H,12-13H2,(H2,23,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


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


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50239274
PNG
(CHEMBL4079453)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1
Show InChI InChI=1S/C22H20N2O4S/c23-29(27,28)19-9-6-16(7-10-19)22(26)24-13-12-17-14-18(25)8-11-20(17)21(24)15-4-2-1-3-5-15/h1-11,14,21,25H,12-13H2,(H2,23,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
51n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


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


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50239274
PNG
(CHEMBL4079453)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1
Show InChI InChI=1S/C22H20N2O4S/c23-29(27,28)19-9-6-16(7-10-19)22(26)24-13-12-17-14-18(25)8-11-20(17)21(24)15-4-2-1-3-5-15/h1-11,14,21,25H,12-13H2,(H2,23,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
73n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


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


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair