new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 179 hits with Last Name = 'salmas' and Initial = 're'   
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
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50161477
PNG
(CHEMBL3785269)
Show SMILES COc1cccc2CC(CCc12)NS(=O)(=O)N(C)C
Show InChI InChI=1S/C18H20N2O3S/c1-19(2)13-14-23-18-10-6-9-17-16(18)11-12-20(17)24(21,22)15-7-4-3-5-8-15/h3-12H,13-14H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
0.450n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of AChE (unknown origin) using acetylcholine iodate as substrate preincubated for 10 mins followed by substrate addition by Lineweaver-Bur...


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50161487
PNG
(CHEMBL3786516)
Show SMILES COc1ccc2CC(CCc2c1)NC(=O)N(C)C
Show InChI InChI=1S/C16H16N2O3S/c17-9-11-21-14-7-6-13-8-10-18(16(13)12-14)22(19,20)15-4-2-1-3-5-15/h1-8,10,12H,9,11,17H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.670n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of AChE (unknown origin) using acetylcholine iodate as substrate preincubated for 10 mins followed by substrate addition by Lineweaver-Bur...


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50161485
PNG
(CHEMBL3786719)
Show SMILES CN(C)S(=O)(=O)NC1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C21H24N2O4S/c24-28(25,18-5-2-1-3-6-18)23-13-9-19-20(23)7-4-8-21(19)27-16-12-22-17-10-14-26-15-11-17/h1-9,13,17,22H,10-12,14-16H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
0.720n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of AChE (unknown origin) using acetylcholine iodate as substrate preincubated for 10 mins followed by substrate addition by Lineweaver-Bur...


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50161479
PNG
(CHEMBL3786448)
Show SMILES COc1ccc2CCC(Cc2c1)NS(=O)(=O)N(C)C
Show InChI InChI=1S/C23H22N2O3S/c26-29(27,20-10-5-2-6-11-20)25-16-14-21-22(25)12-7-13-23(21)28-17-15-24-18-19-8-3-1-4-9-19/h1-14,16,24H,15,17-18H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.830n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of AChE (unknown origin) using acetylcholine iodate as substrate preincubated for 10 mins followed by substrate addition by Lineweaver-Bur...


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50161491
PNG
(CHEMBL3786651)
Show SMILES COc1cccc2C[C@H](CCc12)NC(=O)N(C)C |r|
Show InChI InChI=1/C14H20N2O2/c1-16(2)14(17)15-11-7-8-12-10(9-11)5-4-6-13(12)18-3/h4-6,11H,7-9H2,1-3H3,(H,15,17)/t11-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.980n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of AChE (unknown origin) using acetylcholine iodate as substrate preincubated for 10 mins followed by substrate addition by Lineweaver-Bur...


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50161486
PNG
(CHEMBL3787502)
Show SMILES COc1ccc2CC[C@@H](Cc2c1)NC(=O)N(C)C |r|
Show InChI InChI=1S/C19H22N2O3S/c1-15(2)20-12-14-24-19-10-6-9-18-17(19)11-13-21(18)25(22,23)16-7-4-3-5-8-16/h3-11,13,15,20H,12,14H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.10n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of AChE (unknown origin) using acetylcholine iodate as substrate preincubated for 10 mins followed by substrate addition by Lineweaver-Bur...


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50161478
PNG
(CHEMBL3787223)
Show SMILES COc1ccc2CC(CCc2c1)NS(=O)(=O)N(C)C
Show InChI InChI=1S/C22H26N2O3S/c25-28(26,19-9-4-3-5-10-19)24-16-13-20-21(24)11-8-12-22(20)27-18-17-23-14-6-1-2-7-15-23/h3-5,8-13,16H,1-2,6-7,14-15,17-18H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.10n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of AChE (unknown origin) using acetylcholine iodate as substrate preincubated for 10 mins followed by substrate addition by Lineweaver-Bur...


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50161484
PNG
(CHEMBL3786442)
Show SMILES CN(C)S(=O)(=O)N[C@H]1CCc2cc(O)ccc2C1 |r|
Show InChI InChI=1/C12H18N2O3S/c1-14(2)18(16,17)13-11-5-3-10-8-12(15)6-4-9(10)7-11/h4,6,8,11,13,15H,3,5,7H2,1-2H3/t11-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.20n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of AChE (unknown origin) using acetylcholine iodate as substrate preincubated for 10 mins followed by substrate addition by Lineweaver-Bur...


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM26190
PNG
(1,4-Dihydroxybenzene, XIII | 1,4-dihydroxybenzene ...)
Show SMILES Oc1ccc(O)cc1
Show InChI InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PubMed
1.20n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Lineweaver-Bur...


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50161481
PNG
(CHEMBL3785391)
Show SMILES CN(C)C(=O)NC1CCc2cc(O)ccc2C1
Show InChI InChI=1S/C21H24N2O3S/c24-27(25,18-8-3-1-4-9-18)23-15-12-19-20(23)10-7-11-21(19)26-17-16-22-13-5-2-6-14-22/h1,3-4,7-12,15H,2,5-6,13-14,16-17H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.30n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of AChE (unknown origin) using acetylcholine iodate as substrate preincubated for 10 mins followed by substrate addition by Lineweaver-Bur...


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50161483
PNG
(CHEMBL3786873)
Show SMILES CN(C)S(=O)(=O)NC1CCc2c(O)cccc2C1
Show InChI InChI=1S/C20H22N2O3S/c23-26(24,17-7-2-1-3-8-17)22-14-11-18-19(22)9-6-10-20(18)25-16-15-21-12-4-5-13-21/h1-3,6-11,14H,4-5,12-13,15-16H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.30n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of AChE (unknown origin) using acetylcholine iodate as substrate preincubated for 10 mins followed by substrate addition by Lineweaver-Bur...


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50161480
PNG
(CHEMBL3786937)
Show SMILES CN(C)C(=O)N[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C24H24N2O4S/c1-29-21-7-5-6-19(16-21)18-25-13-15-30-22-11-10-20-12-14-26(24(20)17-22)31(27,28)23-8-3-2-4-9-23/h2-12,14,16-17,25H,13,15,18H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.60n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of AChE (unknown origin) using acetylcholine iodate as substrate preincubated for 10 mins followed by substrate addition by Lineweaver-Bur...


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50161477
PNG
(CHEMBL3785269)
Show SMILES COc1cccc2CC(CCc12)NS(=O)(=O)N(C)C
Show InChI InChI=1S/C18H20N2O3S/c1-19(2)13-14-23-18-10-6-9-17-16(18)11-12-20(17)24(21,22)15-7-4-3-5-8-15/h3-12H,13-14H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
1.60n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50161482
PNG
(CHEMBL3785207)
Show SMILES CN(C)C(=O)N[C@H]1CCc2ccc(O)cc2C1 |r|
Show InChI InChI=1S/C18H20N2O3S/c1-2-19-12-14-23-18-10-6-9-17-16(18)11-13-20(17)24(21,22)15-7-4-3-5-8-15/h3-11,13,19H,2,12,14H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.70n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of AChE (unknown origin) using acetylcholine iodate as substrate preincubated for 10 mins followed by substrate addition by Lineweaver-Bur...


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50161485
PNG
(CHEMBL3786719)
Show SMILES CN(C)S(=O)(=O)NC1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C21H24N2O4S/c24-28(25,18-5-2-1-3-6-18)23-13-9-19-20(23)7-4-8-21(19)27-16-12-22-17-10-14-26-15-11-17/h1-9,13,17,22H,10-12,14-16H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
1.80n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50161486
PNG
(CHEMBL3787502)
Show SMILES COc1ccc2CC[C@@H](Cc2c1)NC(=O)N(C)C |r|
Show InChI InChI=1S/C19H22N2O3S/c1-15(2)20-12-14-24-19-10-6-9-18-17(19)11-13-21(18)25(22,23)16-7-4-3-5-8-16/h3-11,13,15,20H,12,14H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.90n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50161479
PNG
(CHEMBL3786448)
Show SMILES COc1ccc2CCC(Cc2c1)NS(=O)(=O)N(C)C
Show InChI InChI=1S/C23H22N2O3S/c26-29(27,20-10-5-2-6-11-20)25-16-14-21-22(25)12-7-13-23(21)28-17-15-24-18-19-8-3-1-4-9-19/h1-14,16,24H,15,17-18H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.90n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50161478
PNG
(CHEMBL3787223)
Show SMILES COc1ccc2CC(CCc2c1)NS(=O)(=O)N(C)C
Show InChI InChI=1S/C22H26N2O3S/c25-28(26,19-9-4-3-5-10-19)24-16-13-20-21(24)11-8-12-22(20)27-18-17-23-14-6-1-2-7-15-23/h3-5,8-13,16H,1-2,6-7,14-15,17-18H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50161487
PNG
(CHEMBL3786516)
Show SMILES COc1ccc2CC(CCc2c1)NC(=O)N(C)C
Show InChI InChI=1S/C16H16N2O3S/c17-9-11-21-14-7-6-13-8-10-18(16(13)12-14)22(19,20)15-4-2-1-3-5-15/h1-8,10,12H,9,11,17H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.20n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50161484
PNG
(CHEMBL3786442)
Show SMILES CN(C)S(=O)(=O)N[C@H]1CCc2cc(O)ccc2C1 |r|
Show InChI InChI=1/C12H18N2O3S/c1-14(2)18(16,17)13-11-5-3-10-8-12(15)6-4-9(10)7-11/h4,6,8,11,13,15H,3,5,7H2,1-2H3/t11-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.30n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50161483
PNG
(CHEMBL3786873)
Show SMILES CN(C)S(=O)(=O)NC1CCc2c(O)cccc2C1
Show InChI InChI=1S/C20H22N2O3S/c23-26(24,17-7-2-1-3-8-17)22-14-11-18-19(22)9-6-10-20(18)25-16-15-21-12-4-5-13-21/h1-3,6-11,14H,4-5,12-13,15-16H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.40n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50161483
PNG
(CHEMBL3786873)
Show SMILES CN(C)S(=O)(=O)NC1CCc2c(O)cccc2C1
Show InChI InChI=1S/C20H22N2O3S/c23-26(24,17-7-2-1-3-8-17)22-14-11-18-19(22)9-6-10-20(18)25-16-15-21-12-4-5-13-21/h1-3,6-11,14H,4-5,12-13,15-16H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.60n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50161491
PNG
(CHEMBL3786651)
Show SMILES COc1cccc2C[C@H](CCc12)NC(=O)N(C)C |r|
Show InChI InChI=1/C14H20N2O2/c1-16(2)14(17)15-11-7-8-12-10(9-11)5-4-6-13(12)18-3/h4-6,11H,7-9H2,1-3H3,(H,15,17)/t11-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.70n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50161481
PNG
(CHEMBL3785391)
Show SMILES CN(C)C(=O)NC1CCc2cc(O)ccc2C1
Show InChI InChI=1S/C21H24N2O3S/c24-27(25,18-8-3-1-4-9-18)23-15-12-19-20(23)10-7-11-21(19)26-17-16-22-13-5-2-6-14-22/h1,3-4,7-12,15H,2,5-6,13-14,16-17H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.70n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50161478
PNG
(CHEMBL3787223)
Show SMILES COc1ccc2CC(CCc2c1)NS(=O)(=O)N(C)C
Show InChI InChI=1S/C22H26N2O3S/c25-28(26,19-9-4-3-5-10-19)24-16-13-20-21(24)11-8-12-22(20)27-18-17-23-14-6-1-2-7-15-23/h3-5,8-13,16H,1-2,6-7,14-15,17-18H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.80n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50161482
PNG
(CHEMBL3785207)
Show SMILES CN(C)C(=O)N[C@H]1CCc2ccc(O)cc2C1 |r|
Show InChI InChI=1S/C18H20N2O3S/c1-2-19-12-14-23-18-10-6-9-17-16(18)11-13-20(17)24(21,22)15-7-4-3-5-8-15/h3-11,13,19H,2,12,14H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.80n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50161477
PNG
(CHEMBL3785269)
Show SMILES COc1cccc2CC(CCc12)NS(=O)(=O)N(C)C
Show InChI InChI=1S/C18H20N2O3S/c1-19(2)13-14-23-18-10-6-9-17-16(18)11-12-20(17)24(21,22)15-7-4-3-5-8-15/h3-12H,13-14H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
2.80n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50161480
PNG
(CHEMBL3786937)
Show SMILES CN(C)C(=O)N[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C24H24N2O4S/c1-29-21-7-5-6-19(16-21)18-25-13-15-30-22-11-10-20-12-14-26(24(20)17-22)31(27,28)23-8-3-2-4-9-23/h2-12,14,16-17,25H,13,15,18H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.80n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50161479
PNG
(CHEMBL3786448)
Show SMILES COc1ccc2CCC(Cc2c1)NS(=O)(=O)N(C)C
Show InChI InChI=1S/C23H22N2O3S/c26-29(27,20-10-5-2-6-11-20)25-16-14-21-22(25)12-7-13-23(21)28-17-15-24-18-19-8-3-1-4-9-19/h1-14,16,24H,15,17-18H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
3n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50161485
PNG
(CHEMBL3786719)
Show SMILES CN(C)S(=O)(=O)NC1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C21H24N2O4S/c24-28(25,18-5-2-1-3-6-18)23-13-9-19-20(23)7-4-8-21(19)27-16-12-22-17-10-14-26-15-11-17/h1-9,13,17,22H,10-12,14-16H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
3n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50161487
PNG
(CHEMBL3786516)
Show SMILES COc1ccc2CC(CCc2c1)NC(=O)N(C)C
Show InChI InChI=1S/C16H16N2O3S/c17-9-11-21-14-7-6-13-8-10-18(16(13)12-14)22(19,20)15-4-2-1-3-5-15/h1-8,10,12H,9,11,17H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
3.10n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50161484
PNG
(CHEMBL3786442)
Show SMILES CN(C)S(=O)(=O)N[C@H]1CCc2cc(O)ccc2C1 |r|
Show InChI InChI=1/C12H18N2O3S/c1-14(2)18(16,17)13-11-5-3-10-8-12(15)6-4-9(10)7-11/h4,6,8,11,13,15H,3,5,7H2,1-2H3/t11-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
3.20n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50161486
PNG
(CHEMBL3787502)
Show SMILES COc1ccc2CC[C@@H](Cc2c1)NC(=O)N(C)C |r|
Show InChI InChI=1S/C19H22N2O3S/c1-15(2)20-12-14-24-19-10-6-9-18-17(19)11-13-21(18)25(22,23)16-7-4-3-5-8-16/h3-11,13,15,20H,12,14H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
3.20n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50161482
PNG
(CHEMBL3785207)
Show SMILES CN(C)C(=O)N[C@H]1CCc2ccc(O)cc2C1 |r|
Show InChI InChI=1S/C18H20N2O3S/c1-2-19-12-14-23-18-10-6-9-17-16(18)11-13-20(17)24(21,22)15-7-4-3-5-8-15/h3-11,13,19H,2,12,14H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
3.40n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50161481
PNG
(CHEMBL3785391)
Show SMILES CN(C)C(=O)NC1CCc2cc(O)ccc2C1
Show InChI InChI=1S/C21H24N2O3S/c24-27(25,18-8-3-1-4-9-18)23-15-12-19-20(23)10-7-11-21(19)26-17-16-22-13-5-2-6-14-22/h1,3-4,7-12,15H,2,5-6,13-14,16-17H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
3.60n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50161480
PNG
(CHEMBL3786937)
Show SMILES CN(C)C(=O)N[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C24H24N2O4S/c1-29-21-7-5-6-19(16-21)18-25-13-15-30-22-11-10-20-12-14-26(24(20)17-22)31(27,28)23-8-3-2-4-9-23/h2-12,14,16-17,25H,13,15,18H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
3.60n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50161491
PNG
(CHEMBL3786651)
Show SMILES COc1cccc2C[C@H](CCc12)NC(=O)N(C)C |r|
Show InChI InChI=1/C14H20N2O2/c1-16(2)14(17)15-11-7-8-12-10(9-11)5-4-6-13(12)18-3/h4-6,11H,7-9H2,1-3H3,(H,15,17)/t11-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
3.70n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PubMed
7.60n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of AChE (unknown origin) using acetylcholine iodate as substrate preincubated for 10 mins followed by substrate addition by Lineweaver-Bur...


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
PubMed
33n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PubMed
204n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10860
PNG
(4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)
Show SMILES NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

PubMed
612n/an/an/an/an/an/an/an/a



Gebze Technical University

Curated by ChEMBL


Assay Description
Inhibition of cytosolic carbonic anhydrase 2 esterase activity isolated from human serum using 4-nitrophenylacetate as substrate measured over 3 mins...


Bioorg Med Chem 23: 7353-8 (2015)


BindingDB Entry DOI: 10.7270/Q2ZS2ZB2
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10857
PNG
(4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...)
Show SMILES Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PubMed
628n/an/an/an/an/an/an/an/a



Gebze Technical University

Curated by ChEMBL


Assay Description
Inhibition of cytosolic carbonic anhydrase 2 esterase activity isolated from human serum using 4-nitrophenylacetate as substrate measured over 3 mins...


Bioorg Med Chem 23: 7353-8 (2015)


BindingDB Entry DOI: 10.7270/Q2ZS2ZB2
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM12414
PNG
(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Show SMILES NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
PubMed
1.10E+3n/an/an/an/an/an/an/an/a



Gebze Technical University

Curated by ChEMBL


Assay Description
Inhibition of cytosolic carbonic anhydrase 2 esterase activity isolated from human serum using 4-nitrophenylacetate as substrate measured over 3 mins...


Bioorg Med Chem 23: 7353-8 (2015)


BindingDB Entry DOI: 10.7270/Q2ZS2ZB2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10859
PNG
(4-methylbenzene-1-sulfonamide | CHEMBL574 | aromat...)
Show SMILES Cc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PubMed
8.14E+3n/an/an/an/an/an/an/an/a



Gebze Technical University

Curated by ChEMBL


Assay Description
Inhibition of cytosolic carbonic anhydrase 2 esterase activity isolated from human serum using 4-nitrophenylacetate as substrate measured over 3 mins...


Bioorg Med Chem 23: 7353-8 (2015)


BindingDB Entry DOI: 10.7270/Q2ZS2ZB2
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50129949
PNG
(CHEMBL3627999)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1/C23H23NO4S/c1-18-12-14-21(15-13-18)29(26,27)24-22(16-19-8-4-2-5-9-19)23(25)28-17-20-10-6-3-7-11-20/h2-15,22,24H,16-17H2,1H3/t22-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.47E+4n/an/an/an/an/an/an/an/a



Gebze Technical University

Curated by ChEMBL


Assay Description
Inhibition of cytosolic carbonic anhydrase 1 esterase activity isolated from human erythrocytes using 4-nitrophenylacetate as substrate measured over...


Bioorg Med Chem 23: 7353-8 (2015)


BindingDB Entry DOI: 10.7270/Q2ZS2ZB2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50130030
PNG
(CHEMBL1885780)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCC(=O)OCc1ccccc1
Show InChI InChI=1S/C16H17NO4S/c1-13-7-9-15(10-8-13)22(19,20)17-11-16(18)21-12-14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
PubMed
1.83E+4n/an/an/an/an/an/an/an/a



Gebze Technical University

Curated by ChEMBL


Assay Description
Inhibition of cytosolic carbonic anhydrase 2 esterase activity isolated from human erythrocytes using 4-nitrophenylacetate as substrate measured over...


Bioorg Med Chem 23: 7353-8 (2015)


BindingDB Entry DOI: 10.7270/Q2ZS2ZB2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50130022
PNG
(CHEMBL1885189)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCC(=O)N1CCCCC1
Show InChI InChI=1S/C14H20N2O3S/c1-12-5-7-13(8-6-12)20(18,19)15-11-14(17)16-9-3-2-4-10-16/h5-8,15H,2-4,9-11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
PubMed
1.93E+4n/an/an/an/an/an/an/an/a



Gebze Technical University

Curated by ChEMBL


Assay Description
Inhibition of cytosolic carbonic anhydrase 2 esterase activity isolated from human erythrocytes using 4-nitrophenylacetate as substrate measured over...


Bioorg Med Chem 23: 7353-8 (2015)


BindingDB Entry DOI: 10.7270/Q2ZS2ZB2
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50130030
PNG
(CHEMBL1885780)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCC(=O)OCc1ccccc1
Show InChI InChI=1S/C16H17NO4S/c1-13-7-9-15(10-8-13)22(19,20)17-11-16(18)21-12-14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
PubMed
2.96E+4n/an/an/an/an/an/an/an/a



Gebze Technical University

Curated by ChEMBL


Assay Description
Inhibition of cytosolic carbonic anhydrase 1 esterase activity isolated from human erythrocytes using 4-nitrophenylacetate as substrate measured over...


Bioorg Med Chem 23: 7353-8 (2015)


BindingDB Entry DOI: 10.7270/Q2ZS2ZB2
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM12414
PNG
(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Show SMILES NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PubMed
4.00E+4n/an/an/an/an/an/an/an/a



Gebze Technical University

Curated by ChEMBL


Assay Description
Inhibition of cytosolic carbonic anhydrase 1 esterase activity isolated from human serum using 4-nitrophenylacetate as substrate measured over 3 mins...


Bioorg Med Chem 23: 7353-8 (2015)


BindingDB Entry DOI: 10.7270/Q2ZS2ZB2
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10860
PNG
(4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)
Show SMILES NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

PubMed
4.19E+4n/an/an/an/an/an/an/an/a



Gebze Technical University

Curated by ChEMBL


Assay Description
Inhibition of cytosolic carbonic anhydrase 1 esterase activity isolated from human serum using 4-nitrophenylacetate as substrate measured over 3 mins...


Bioorg Med Chem 23: 7353-8 (2015)


BindingDB Entry DOI: 10.7270/Q2ZS2ZB2
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 179 total )  |  Next  |  Last  >>
Jump to: