BindingDB logo
myBDB logout

BDBM50339603 CHEMBL578932::N-tert-butyl-2-(3-chloro-4-hydroxyphenyl)acetamide

SMILES: CC(C)(C)NC(=O)Cc1ccc(O)c(Cl)c1

InChI Key: InChIKey=FDCKZXMLRWATKY-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50339603   
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 2 (Can2)


(Cryptococcus neoformans var. grubii (Filobasidiell...)
BDBM50339603
PNG
(CHEMBL578932 | N-tert-butyl-2-(3-chloro-4-hydroxyp...)
Show SMILES CC(C)(C)NC(=O)Cc1ccc(O)c(Cl)c1
Show InChI InChI=1S/C12H16ClNO2/c1-12(2,3)14-11(16)7-8-4-5-10(15)9(13)6-8/h4-6,15H,7H2,1-3H3,(H,14,16)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
910n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of Cryptococcus neoformans recombinant Can2 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay


J Med Chem 54: 1682-92 (2011)

More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM50339603
PNG
(CHEMBL578932 | N-tert-butyl-2-(3-chloro-4-hydroxyp...)
Show SMILES CC(C)(C)NC(=O)Cc1ccc(O)c(Cl)c1
Show InChI InChI=1S/C12H16ClNO2/c1-12(2,3)14-11(16)7-8-4-5-10(15)9(13)6-8/h4-6,15H,7H2,1-3H3,(H,14,16)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
960n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans recombinant Nce103 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay


J Med Chem 54: 1682-92 (2011)

More data for this
Ligand-Target Pair
PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)


(Mycobacterium tuberculosis)
BDBM50339603
PNG
(CHEMBL578932 | N-tert-butyl-2-(3-chloro-4-hydroxyp...)
Show SMILES CC(C)(C)NC(=O)Cc1ccc(O)c(Cl)c1
Show InChI InChI=1S/C12H16ClNO2/c1-12(2,3)14-11(16)7-8-4-5-10(15)9(13)6-8/h4-6,15H,7H2,1-3H3,(H,14,16)
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.02E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant Rv3273 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay


J Med Chem 54: 1682-92 (2011)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50339603
PNG
(CHEMBL578932 | N-tert-butyl-2-(3-chloro-4-hydroxyp...)
Show SMILES CC(C)(C)NC(=O)Cc1ccc(O)c(Cl)c1
Show InChI InChI=1S/C12H16ClNO2/c1-12(2,3)14-11(16)7-8-4-5-10(15)9(13)6-8/h4-6,15H,7H2,1-3H3,(H,14,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.08E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


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


J Med Chem 54: 1682-92 (2011)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50339603
PNG
(CHEMBL578932 | N-tert-butyl-2-(3-chloro-4-hydroxyp...)
Show SMILES CC(C)(C)NC(=O)Cc1ccc(O)c(Cl)c1
Show InChI InChI=1S/C12H16ClNO2/c1-12(2,3)14-11(16)7-8-4-5-10(15)9(13)6-8/h4-6,15H,7H2,1-3H3,(H,14,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.14E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


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


J Med Chem 54: 1682-92 (2011)

More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM50339603
PNG
(CHEMBL578932 | N-tert-butyl-2-(3-chloro-4-hydroxyp...)
Show SMILES CC(C)(C)NC(=O)Cc1ccc(O)c(Cl)c1
Show InChI InChI=1S/C12H16ClNO2/c1-12(2,3)14-11(16)7-8-4-5-10(15)9(13)6-8/h4-6,15H,7H2,1-3H3,(H,14,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.23E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant Rv1284 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay


J Med Chem 54: 1682-92 (2011)

More data for this
Ligand-Target Pair