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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrases; II & IX' and Ligand = 'BDBM50239271'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50239271
PNG
(CHEMBL4069601)
Show SMILES COc1cc2CCN(C(c3ccccc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O
PDB
MMDB

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PC cid
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Article
PubMed
4.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL




J Med Chem 60: 4316-4326 (2017)


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


(Homo sapiens (Human))
BDBM50239271
PNG
(CHEMBL4069601)
Show SMILES COc1cc2CCN(C(c3ccccc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

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



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition the uptake of tritiated serotonin (5-HT) by the serotonin transporter SERT in rat synaptosomes


J Med Chem 60: 4316-4326 (2017)


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


(Homo sapiens (Human))
BDBM50239271
PNG
(CHEMBL4069601)
Show SMILES COc1cc2CCN(C(c3ccccc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

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



Universit£ degli Studi di Messina

Curated by ChEMBL




J Med Chem 60: 4316-4326 (2017)


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


(Homo sapiens (Human))
BDBM50239271
PNG
(CHEMBL4069601)
Show SMILES COc1cc2CCN(C(c3ccccc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL




J Med Chem 60: 4316-4326 (2017)


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


(Homo sapiens (Human))
BDBM50239271
PNG
(CHEMBL4069601)
Show SMILES COc1cc2CCN(C(c3ccccc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
6.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL




J Med Chem 60: 4316-4326 (2017)


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


(Homo sapiens (Human))
BDBM50239271
PNG
(CHEMBL4069601)
Show SMILES COc1cc2CCN(C(c3ccccc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
8.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL




J Med Chem 60: 4316-4326 (2017)


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