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BDBM50239271 CHEMBL4069601

SMILES: COc1cc2CCN(C(c3ccccc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O

InChI Key:

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 = 50239271   
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 XIV


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

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PubMed
4.30n/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 Anhydrase XIV


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

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4.30n/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 Anhydrase XIV


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

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PubMed
4.30n/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

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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

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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

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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

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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 anhydrase


(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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5.40n/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

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UniChem

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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 anhydrase


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

Reactome pathway
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PubMed
7.30n/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

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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
Carbonic anhydrase


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

Reactome pathway
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UniChem

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PubMed
9.20n/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 anhydrase


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

NCI pathway
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PubMed
16n/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 anhydrase


(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

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UniChem

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Article
PubMed
16n/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 anhydrase


(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

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UniChem

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Article
PubMed
17n/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 anhydrase


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

Reactome pathway
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UniProtKB/SwissProt

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UniChem

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PubMed
20n/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 anhydrase


(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

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UniChem

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PubMed
46n/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 anhydrase


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

Reactome pathway
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UniProtKB/SwissProt

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UniChem

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PubMed
60n/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