BindingDB logo
myBDB logout

null

SMILES: O=C(Nc1cccc2c1C(=O)NS2(=O)=O)c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=ZAVHYYCSZQXPFV-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 8 hits for monomerid = 50532437   
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 12


(Homo sapiens (Human))
BDBM50532437
PNG
(CHEMBL4456743)
Show SMILES O=C(Nc1cccc2c1C(=O)NS2(=O)=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H14N2O4S/c23-19(15-11-9-14(10-12-15)13-5-2-1-3-6-13)21-16-7-4-8-17-18(16)20(24)22-27(17,25)26/h1-12H,(H,21,23)(H,22,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
90n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50532437
PNG
(CHEMBL4456743)
Show SMILES O=C(Nc1cccc2c1C(=O)NS2(=O)=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H14N2O4S/c23-19(15-11-9-14(10-12-15)13-5-2-1-3-6-13)21-16-7-4-8-17-18(16)20(24)22-27(17,25)26/h1-12H,(H,21,23)(H,22,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
90n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50532437
PNG
(CHEMBL4456743)
Show SMILES O=C(Nc1cccc2c1C(=O)NS2(=O)=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H14N2O4S/c23-19(15-11-9-14(10-12-15)13-5-2-1-3-6-13)21-16-7-4-8-17-18(16)20(24)22-27(17,25)26/h1-12H,(H,21,23)(H,22,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
910n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50532437
PNG
(CHEMBL4456743)
Show SMILES O=C(Nc1cccc2c1C(=O)NS2(=O)=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H14N2O4S/c23-19(15-11-9-14(10-12-15)13-5-2-1-3-6-13)21-16-7-4-8-17-18(16)20(24)22-27(17,25)26/h1-12H,(H,21,23)(H,22,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
910n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50532437
PNG
(CHEMBL4456743)
Show SMILES O=C(Nc1cccc2c1C(=O)NS2(=O)=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H14N2O4S/c23-19(15-11-9-14(10-12-15)13-5-2-1-3-6-13)21-16-7-4-8-17-18(16)20(24)22-27(17,25)26/h1-12H,(H,21,23)(H,22,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.19E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic site preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50532437
PNG
(CHEMBL4456743)
Show SMILES O=C(Nc1cccc2c1C(=O)NS2(=O)=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H14N2O4S/c23-19(15-11-9-14(10-12-15)13-5-2-1-3-6-13)21-16-7-4-8-17-18(16)20(24)22-27(17,25)26/h1-12H,(H,21,23)(H,22,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.19E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic site preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50532437
PNG
(CHEMBL4456743)
Show SMILES O=C(Nc1cccc2c1C(=O)NS2(=O)=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H14N2O4S/c23-19(15-11-9-14(10-12-15)13-5-2-1-3-6-13)21-16-7-4-8-17-18(16)20(24)22-27(17,25)26/h1-12H,(H,21,23)(H,22,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Universit£ di Pisa

Curated by ChEMBL


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


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50532437
PNG
(CHEMBL4456743)
Show SMILES O=C(Nc1cccc2c1C(=O)NS2(=O)=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H14N2O4S/c23-19(15-11-9-14(10-12-15)13-5-2-1-3-6-13)21-16-7-4-8-17-18(16)20(24)22-27(17,25)26/h1-12H,(H,21,23)(H,22,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Universit£ di Pisa

Curated by ChEMBL


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


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
More data for this
Ligand-Target Pair