new BindingDB logo
myBDB logout

BDBM50428448 CHEMBL479836

SMILES: CC(N=O)c1ccc(-c2ccc(O)c(F)c2)c(Cl)c1O

InChI Key: InChIKey=AJRNGSNMJKWMNC-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50428448   
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))
BDBM50428448
PNG
(CHEMBL479836)
Show SMILES CC(N=O)c1ccc(-c2ccc(O)c(F)c2)c(Cl)c1O
Show InChI InChI=1S/C14H11ClFNO3/c1-7(17-20)9-3-4-10(13(15)14(9)19)8-2-5-12(18)11(16)6-8/h2-7,18-19H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.77E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


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


Bioorg Med Chem 21: 1511-5 (2013)


Article DOI: 10.1016/j.bmc.2012.08.057
BindingDB Entry DOI: 10.7270/Q2891765
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428448
PNG
(CHEMBL479836)
Show SMILES CC(N=O)c1ccc(-c2ccc(O)c(F)c2)c(Cl)c1O
Show InChI InChI=1S/C14H11ClFNO3/c1-7(17-20)9-3-4-10(13(15)14(9)19)8-2-5-12(18)11(16)6-8/h2-7,18-19H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.96E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


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


Bioorg Med Chem 21: 1511-5 (2013)


Article DOI: 10.1016/j.bmc.2012.08.057
BindingDB Entry DOI: 10.7270/Q2891765
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50428448
PNG
(CHEMBL479836)
Show SMILES CC(N=O)c1ccc(-c2ccc(O)c(F)c2)c(Cl)c1O
Show InChI InChI=1S/C14H11ClFNO3/c1-7(17-20)9-3-4-10(13(15)14(9)19)8-2-5-12(18)11(16)6-8/h2-7,18-19H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.08E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


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


Bioorg Med Chem 21: 1511-5 (2013)


Article DOI: 10.1016/j.bmc.2012.08.057
BindingDB Entry DOI: 10.7270/Q2891765
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428448
PNG
(CHEMBL479836)
Show SMILES CC(N=O)c1ccc(-c2ccc(O)c(F)c2)c(Cl)c1O
Show InChI InChI=1S/C14H11ClFNO3/c1-7(17-20)9-3-4-10(13(15)14(9)19)8-2-5-12(18)11(16)6-8/h2-7,18-19H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.57E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


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


Bioorg Med Chem 21: 1511-5 (2013)


Article DOI: 10.1016/j.bmc.2012.08.057
BindingDB Entry DOI: 10.7270/Q2891765
More data for this
Ligand-Target Pair