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SMILES: COc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1

InChI Key:

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 = 50239279   
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


(Homo sapiens (Human))
BDBM50239279
PNG
(CHEMBL4070634)
Show SMILES COc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1
PDB
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0.770n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Chimiche, Biologiche, Farmaceutiche ed Ambientali (CHIBIOFARAM), UniversitÓ degli Studi di Messina , Viale Annunziata, I-98168 Messina, Italy.

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))
BDBM50239279
PNG
(CHEMBL4070634)
Show SMILES COc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1
PDB
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1.40n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Chimiche, Biologiche, Farmaceutiche ed Ambientali (CHIBIOFARAM), UniversitÓ degli Studi di Messina , Viale Annunziata, I-98168 Messina, Italy.

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))
BDBM50239279
PNG
(CHEMBL4070634)
Show SMILES COc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1
PDB

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2.40n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Chimiche, Biologiche, Farmaceutiche ed Ambientali (CHIBIOFARAM), UniversitÓ degli Studi di Messina , Viale Annunziata, I-98168 Messina, Italy.

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))
BDBM50239279
PNG
(CHEMBL4070634)
Show SMILES COc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1
PDB

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3.20n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Chimiche, Biologiche, Farmaceutiche ed Ambientali (CHIBIOFARAM), UniversitÓ degli Studi di Messina , Viale Annunziata, I-98168 Messina, Italy.

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))
BDBM50239279
PNG
(CHEMBL4070634)
Show SMILES COc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1
PDB
MMDB

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4.10n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Chimiche, Biologiche, Farmaceutiche ed Ambientali (CHIBIOFARAM), UniversitÓ degli Studi di Messina , Viale Annunziata, I-98168 Messina, Italy.

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))
BDBM50239279
PNG
(CHEMBL4070634)
Show SMILES COc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1
PDB
MMDB

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4.80n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Chimiche, Biologiche, Farmaceutiche ed Ambientali (CHIBIOFARAM), UniversitÓ degli Studi di Messina , Viale Annunziata, I-98168 Messina, Italy.

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))
BDBM50239279
PNG
(CHEMBL4070634)
Show SMILES COc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1
PDB
MMDB

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UniChem
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5.30n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Chimiche, Biologiche, Farmaceutiche ed Ambientali (CHIBIOFARAM), UniversitÓ degli Studi di Messina , Viale Annunziata, I-98168 Messina, Italy.

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))
BDBM50239279
PNG
(CHEMBL4070634)
Show SMILES COc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1
PDB
MMDB

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6n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Chimiche, Biologiche, Farmaceutiche ed Ambientali (CHIBIOFARAM), UniversitÓ degli Studi di Messina , Viale Annunziata, I-98168 Messina, Italy.

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))
BDBM50239279
PNG
(CHEMBL4070634)
Show SMILES COc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1
PDB

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6.10n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Chimiche, Biologiche, Farmaceutiche ed Ambientali (CHIBIOFARAM), UniversitÓ degli Studi di Messina , Viale Annunziata, I-98168 Messina, Italy.

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))
BDBM50239279
PNG
(CHEMBL4070634)
Show SMILES COc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1
PDB
MMDB

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13n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Chimiche, Biologiche, Farmaceutiche ed Ambientali (CHIBIOFARAM), UniversitÓ degli Studi di Messina , Viale Annunziata, I-98168 Messina, Italy.

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))
BDBM50239279
PNG
(CHEMBL4070634)
Show SMILES COc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1
PDB
MMDB

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16n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Chimiche, Biologiche, Farmaceutiche ed Ambientali (CHIBIOFARAM), UniversitÓ degli Studi di Messina , Viale Annunziata, I-98168 Messina, Italy.

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))
BDBM50239279
PNG
(CHEMBL4070634)
Show SMILES COc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1
PDB
MMDB

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19n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Chimiche, Biologiche, Farmaceutiche ed Ambientali (CHIBIOFARAM), UniversitÓ degli Studi di Messina , Viale Annunziata, I-98168 Messina, Italy.

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))
BDBM50239279
PNG
(CHEMBL4070634)
Show SMILES COc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1
PDB
MMDB

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25n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Chimiche, Biologiche, Farmaceutiche ed Ambientali (CHIBIOFARAM), UniversitÓ degli Studi di Messina , Viale Annunziata, I-98168 Messina, Italy.

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))
BDBM50239279
PNG
(CHEMBL4070634)
Show SMILES COc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1
PDB
MMDB

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31n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Chimiche, Biologiche, Farmaceutiche ed Ambientali (CHIBIOFARAM), UniversitÓ degli Studi di Messina , Viale Annunziata, I-98168 Messina, Italy.

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))
BDBM50239279
PNG
(CHEMBL4070634)
Show SMILES COc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1
PDB
MMDB

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39n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Chimiche, Biologiche, Farmaceutiche ed Ambientali (CHIBIOFARAM), UniversitÓ degli Studi di Messina , Viale Annunziata, I-98168 Messina, Italy.

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))
BDBM50239279
PNG
(CHEMBL4070634)
Show SMILES COc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1
PDB
MMDB

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39n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Chimiche, Biologiche, Farmaceutiche ed Ambientali (CHIBIOFARAM), UniversitÓ degli Studi di Messina , Viale Annunziata, I-98168 Messina, Italy.

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))
BDBM50239279
PNG
(CHEMBL4070634)
Show SMILES COc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1
PDB
MMDB

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59n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Chimiche, Biologiche, Farmaceutiche ed Ambientali (CHIBIOFARAM), UniversitÓ degli Studi di Messina , Viale Annunziata, I-98168 Messina, Italy.

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))
BDBM50239279
PNG
(CHEMBL4070634)
Show SMILES COc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1
PDB
MMDB

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78n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Chimiche, Biologiche, Farmaceutiche ed Ambientali (CHIBIOFARAM), UniversitÓ degli Studi di Messina , Viale Annunziata, I-98168 Messina, Italy.

Curated by ChEMBL




J Med Chem 60: 4316-4326 (2017)


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