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BDBM246549 4-[(2-Methyl-1H-benzimidazol-1-yl)acetyl]benzenesulfonamide (1b)

SMILES: Cc1nc2ccccc2n1CC(=O)c1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=GTMVXOPJGRUYBM-UHFFFAOYSA-N

Data: 5 Kd

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 5 hits for monomerid = 246549   
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 1


(Homo sapiens (Human))
BDBM246549
PNG
(4-[(2-Methyl-1H-benzimidazol-1-yl)acetyl]benzenesu...)
Show SMILES Cc1nc2ccccc2n1CC(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H15N3O3S/c1-11-18-14-4-2-3-5-15(14)19(11)10-16(20)12-6-8-13(9-7-12)23(17,21)22/h2-9H,10H2,1H3,(H2,17,21,22)
PDB
MMDB

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UniProtKB/SwissProt
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 10n/an/an/a7.0n/a



Vilnius University



Assay Description
The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...


J Enzyme Inhib Med Chem 29: 124-31 (2014)


Article DOI: 10.3109/14756366.2012.757223
BindingDB Entry DOI: 10.7270/Q2RV0MMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM246549
PNG
(4-[(2-Methyl-1H-benzimidazol-1-yl)acetyl]benzenesu...)
Show SMILES Cc1nc2ccccc2n1CC(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H15N3O3S/c1-11-18-14-4-2-3-5-15(14)19(11)10-16(20)12-6-8-13(9-7-12)23(17,21)22/h2-9H,10H2,1H3,(H2,17,21,22)
PDB
MMDB

Reactome pathway
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 6.30n/an/an/a7.0n/a



Vilnius University



Assay Description
The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...


J Enzyme Inhib Med Chem 29: 124-31 (2014)


Article DOI: 10.3109/14756366.2012.757223
BindingDB Entry DOI: 10.7270/Q2RV0MMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 13


(Homo sapiens (Human))
BDBM246549
PNG
(4-[(2-Methyl-1H-benzimidazol-1-yl)acetyl]benzenesu...)
Show SMILES Cc1nc2ccccc2n1CC(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H15N3O3S/c1-11-18-14-4-2-3-5-15(14)19(11)10-16(20)12-6-8-13(9-7-12)23(17,21)22/h2-9H,10H2,1H3,(H2,17,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 76.9n/an/an/a7.0n/a



Vilnius University



Assay Description
The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...


J Enzyme Inhib Med Chem 29: 124-31 (2014)


Article DOI: 10.3109/14756366.2012.757223
BindingDB Entry DOI: 10.7270/Q2RV0MMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM246549
PNG
(4-[(2-Methyl-1H-benzimidazol-1-yl)acetyl]benzenesu...)
Show SMILES Cc1nc2ccccc2n1CC(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H15N3O3S/c1-11-18-14-4-2-3-5-15(14)19(11)10-16(20)12-6-8-13(9-7-12)23(17,21)22/h2-9H,10H2,1H3,(H2,17,21,22)
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 769n/an/an/a7.0n/a



Vilnius University



Assay Description
The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...


J Enzyme Inhib Med Chem 29: 124-31 (2014)


Article DOI: 10.3109/14756366.2012.757223
BindingDB Entry DOI: 10.7270/Q2RV0MMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM246549
PNG
(4-[(2-Methyl-1H-benzimidazol-1-yl)acetyl]benzenesu...)
Show SMILES Cc1nc2ccccc2n1CC(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H15N3O3S/c1-11-18-14-4-2-3-5-15(14)19(11)10-16(20)12-6-8-13(9-7-12)23(17,21)22/h2-9H,10H2,1H3,(H2,17,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 28n/an/an/a7.0n/a



Vilnius University



Assay Description
The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...


J Enzyme Inhib Med Chem 29: 124-31 (2014)


Article DOI: 10.3109/14756366.2012.757223
BindingDB Entry DOI: 10.7270/Q2RV0MMK
More data for this
Ligand-Target Pair