BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 72 hits from Banaras Hindu University   
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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50434373
PNG
(CHEMBL2386992)
Show SMILES O=C1C=CC(=O)N1c1ccncc1
Show InChI InChI=1S/C9H6N2O2/c12-8-1-2-9(13)11(8)7-3-5-10-6-4-7/h1-6H
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
42n/an/an/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of electric eel AChE using acetylcholine iodide as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 23: 2984-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.026
BindingDB Entry DOI: 10.7270/Q289177M
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
56n/an/an/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Non competitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 21: 5451-60 (2013)


Article DOI: 10.1016/j.bmc.2013.06.003
BindingDB Entry DOI: 10.7270/Q27W6DM2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50438537
PNG
(CHEMBL2414861)
Show SMILES O=C(NN=C(c1ccccc1)c1ccccc1)Nc1ccncc1
Show InChI InChI=1S/C19H16N4O/c24-19(21-17-11-13-20-14-12-17)23-22-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14H,(H2,20,21,23,24)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
82n/an/an/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Non competitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 21: 5451-60 (2013)


Article DOI: 10.1016/j.bmc.2013.06.003
BindingDB Entry DOI: 10.7270/Q27W6DM2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50438536
PNG
(CHEMBL2414862)
Show SMILES CC(=NNC(=O)Nc1ccncc1)c1ccc(O)cc1
Show InChI InChI=1S/C14H14N4O2/c1-10(11-2-4-13(19)5-3-11)17-18-14(20)16-12-6-8-15-9-7-12/h2-9,19H,1H3,(H2,15,16,18,20)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
246n/an/an/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Non competitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 21: 5451-60 (2013)


Article DOI: 10.1016/j.bmc.2013.06.003
BindingDB Entry DOI: 10.7270/Q27W6DM2
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50438536
PNG
(CHEMBL2414862)
Show SMILES CC(=NNC(=O)Nc1ccncc1)c1ccc(O)cc1
Show InChI InChI=1S/C14H14N4O2/c1-10(11-2-4-13(19)5-3-11)17-18-14(20)16-12-6-8-15-9-7-12/h2-9,19H,1H3,(H2,15,16,18,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

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



Banaras Hindu University

Curated by ChEMBL


Assay Description
Competitive inhibition of human serum BChE using butyrylthiocholine iodide as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 21: 5451-60 (2013)


Article DOI: 10.1016/j.bmc.2013.06.003
BindingDB Entry DOI: 10.7270/Q27W6DM2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50438541
PNG
(CHEMBL2414858)
Show SMILES Oc1ccc(C=NNC(=O)Nc2ccncc2)c(O)c1
Show InChI InChI=1S/C13H12N4O3/c18-11-2-1-9(12(19)7-11)8-15-17-13(20)16-10-3-5-14-6-4-10/h1-8,18-19H,(H2,14,16,17,20)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.56E+3n/an/an/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Competitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 21: 5451-60 (2013)


Article DOI: 10.1016/j.bmc.2013.06.003
BindingDB Entry DOI: 10.7270/Q27W6DM2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50438539
PNG
(CHEMBL2414860)
Show SMILES COc1ccc(C=NNC(=O)Nc2ccncc2)cc1OC
Show InChI InChI=1S/C15H16N4O3/c1-21-13-4-3-11(9-14(13)22-2)10-17-19-15(20)18-12-5-7-16-8-6-12/h3-10H,1-2H3,(H2,16,18,19,20)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.03E+4n/an/an/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Competitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 21: 5451-60 (2013)


Article DOI: 10.1016/j.bmc.2013.06.003
BindingDB Entry DOI: 10.7270/Q27W6DM2
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
1.25E+4n/an/an/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Non competitive inhibition of human serum BChE using butyrylthiocholine iodide as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 21: 5451-60 (2013)


Article DOI: 10.1016/j.bmc.2013.06.003
BindingDB Entry DOI: 10.7270/Q27W6DM2
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50438537
PNG
(CHEMBL2414861)
Show SMILES O=C(NN=C(c1ccccc1)c1ccccc1)Nc1ccncc1
Show InChI InChI=1S/C19H16N4O/c24-19(21-17-11-13-20-14-12-17)23-22-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14H,(H2,20,21,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.68E+4n/an/an/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Competitive inhibition of human serum BChE using butyrylthiocholine iodide as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 21: 5451-60 (2013)


Article DOI: 10.1016/j.bmc.2013.06.003
BindingDB Entry DOI: 10.7270/Q27W6DM2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50438538
PNG
(CHEMBL2413097)
Show SMILES COc1cc(C=NNC(=O)Nc2ccncc2)ccc1O
Show InChI InChI=1S/C14H14N4O3/c1-21-13-8-10(2-3-12(13)19)9-16-18-14(20)17-11-4-6-15-7-5-11/h2-9,19H,1H3,(H2,15,17,18,20)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.05E+4n/an/an/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Competitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 21: 5451-60 (2013)


Article DOI: 10.1016/j.bmc.2013.06.003
BindingDB Entry DOI: 10.7270/Q27W6DM2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50438542
PNG
(CHEMBL2414857)
Show SMILES Oc1ccccc1C=NNC(=O)Nc1ccncc1
Show InChI InChI=1S/C13H12N4O2/c18-12-4-2-1-3-10(12)9-15-17-13(19)16-11-5-7-14-8-6-11/h1-9,18H,(H2,14,16,17,19)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.56E+4n/an/an/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Competitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 21: 5451-60 (2013)


Article DOI: 10.1016/j.bmc.2013.06.003
BindingDB Entry DOI: 10.7270/Q27W6DM2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50438540
PNG
(CHEMBL2414859)
Show SMILES COc1ccc(C=NNC(=O)Nc2ccncc2)cc1
Show InChI InChI=1S/C14H14N4O2/c1-20-13-4-2-11(3-5-13)10-16-18-14(19)17-12-6-8-15-9-7-12/h2-10H,1H3,(H2,15,17,18,19)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.55E+4n/an/an/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Competitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 21: 5451-60 (2013)


Article DOI: 10.1016/j.bmc.2013.06.003
BindingDB Entry DOI: 10.7270/Q27W6DM2
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50438541
PNG
(CHEMBL2414858)
Show SMILES Oc1ccc(C=NNC(=O)Nc2ccncc2)c(O)c1
Show InChI InChI=1S/C13H12N4O3/c18-11-2-1-9(12(19)7-11)8-15-17-13(20)16-10-3-5-14-6-4-10/h1-8,18-19H,(H2,14,16,17,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
7.27E+4n/an/an/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Non competitive inhibition of human serum BChE using butyrylthiocholine iodide as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 21: 5451-60 (2013)


Article DOI: 10.1016/j.bmc.2013.06.003
BindingDB Entry DOI: 10.7270/Q27W6DM2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50438543
PNG
(CHEMBL2414856)
Show SMILES O=C(NN=Cc1ccccc1)Nc1ccncc1
Show InChI InChI=1S/C13H12N4O/c18-13(16-12-6-8-14-9-7-12)17-15-10-11-4-2-1-3-5-11/h1-10H,(H2,14,16,17,18)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.86E+4n/an/an/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Competitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 21: 5451-60 (2013)


Article DOI: 10.1016/j.bmc.2013.06.003
BindingDB Entry DOI: 10.7270/Q27W6DM2
More data for this
Ligand-Target Pair
Urease


(Glycine max (Soybean))
BDBM39817
PNG
(Boric acid | Boronic Acid)
Show InChI InChI=1S/BH3O3/c2-1(3)4/h2-4H
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
2.00E+5n/an/an/an/an/an/an/an/a



Banaras Hindu University



Assay Description
The inhibition studies of soybean urease were initiated with boric acid and boronic acids (butylboronic acid, 4-bromophenylboronic acid, and phenylbo...


J Enzyme Inhib Med Chem 25: 646-52 (2010)


Article DOI: 10.3109/14756360903468155
BindingDB Entry DOI: 10.7270/Q2F18XM8
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50438542
PNG
(CHEMBL2414857)
Show SMILES Oc1ccccc1C=NNC(=O)Nc1ccncc1
Show InChI InChI=1S/C13H12N4O2/c18-12-4-2-1-3-10(12)9-15-17-13(19)16-11-5-7-14-8-6-11/h1-9,18H,(H2,14,16,17,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
2.12E+5n/an/an/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Non competitive inhibition of human serum BChE using butyrylthiocholine iodide as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 21: 5451-60 (2013)


Article DOI: 10.1016/j.bmc.2013.06.003
BindingDB Entry DOI: 10.7270/Q27W6DM2
More data for this
Ligand-Target Pair
Urease


(Glycine max (Soybean))
BDBM50067892
PNG
(4-Bromophenyl-boronic acid | 4-bromo phenyl boroni...)
Show SMILES OB(O)c1ccc(Br)cc1
Show InChI InChI=1S/C6H6BBrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
2.20E+5n/an/an/an/an/an/an/an/a



Banaras Hindu University



Assay Description
The inhibition studies of soybean urease were initiated with boric acid and boronic acids (butylboronic acid, 4-bromophenylboronic acid, and phenylbo...


J Enzyme Inhib Med Chem 25: 646-52 (2010)


Article DOI: 10.3109/14756360903468155
BindingDB Entry DOI: 10.7270/Q2F18XM8
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50438539
PNG
(CHEMBL2414860)
Show SMILES COc1ccc(C=NNC(=O)Nc2ccncc2)cc1OC
Show InChI InChI=1S/C15H16N4O3/c1-21-13-4-3-11(9-14(13)22-2)10-17-19-15(20)18-12-5-7-16-8-6-12/h3-10H,1-2H3,(H2,16,18,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
2.83E+5n/an/an/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Competitive inhibition of human serum BChE using butyrylthiocholine iodide as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 21: 5451-60 (2013)


Article DOI: 10.1016/j.bmc.2013.06.003
BindingDB Entry DOI: 10.7270/Q27W6DM2
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50438538
PNG
(CHEMBL2413097)
Show SMILES COc1cc(C=NNC(=O)Nc2ccncc2)ccc1O
Show InChI InChI=1S/C14H14N4O3/c1-21-13-8-10(2-3-12(13)19)9-16-18-14(20)17-11-4-6-15-7-5-11/h2-9,19H,1H3,(H2,15,17,18,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
4.46E+5n/an/an/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Non competitive inhibition of human serum BChE using butyrylthiocholine iodide as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 21: 5451-60 (2013)


Article DOI: 10.1016/j.bmc.2013.06.003
BindingDB Entry DOI: 10.7270/Q27W6DM2
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50438540
PNG
(CHEMBL2414859)
Show SMILES COc1ccc(C=NNC(=O)Nc2ccncc2)cc1
Show InChI InChI=1S/C14H14N4O2/c1-20-13-4-2-11(3-5-13)10-16-18-14(19)17-12-6-8-15-9-7-12/h2-10H,1H3,(H2,15,17,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
6.24E+5n/an/an/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Competitive inhibition of human serum BChE using butyrylthiocholine iodide as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 21: 5451-60 (2013)


Article DOI: 10.1016/j.bmc.2013.06.003
BindingDB Entry DOI: 10.7270/Q27W6DM2
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50438543
PNG
(CHEMBL2414856)
Show SMILES O=C(NN=Cc1ccccc1)Nc1ccncc1
Show InChI InChI=1S/C13H12N4O/c18-13(16-12-6-8-14-9-7-12)17-15-10-11-4-2-1-3-5-11/h1-10H,(H2,14,16,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
6.85E+5n/an/an/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Competitive inhibition of human serum BChE using butyrylthiocholine iodide as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 21: 5451-60 (2013)


Article DOI: 10.1016/j.bmc.2013.06.003
BindingDB Entry DOI: 10.7270/Q27W6DM2
More data for this
Ligand-Target Pair
Urease


(Glycine max (Soybean))
BDBM50067884
PNG
(1-BUTANE BORONIC ACID | Borinic acid derivative | ...)
Show SMILES CCCCB(O)O
Show InChI InChI=1S/C4H11BO2/c1-2-3-4-5(6)7/h6-7H,2-4H2,1H3
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
1.50E+6n/an/an/an/an/an/an/an/a



Banaras Hindu University



Assay Description
The inhibition studies of soybean urease were initiated with boric acid and boronic acids (butylboronic acid, 4-bromophenylboronic acid, and phenylbo...


J Enzyme Inhib Med Chem 25: 646-52 (2010)


Article DOI: 10.3109/14756360903468155
BindingDB Entry DOI: 10.7270/Q2F18XM8
More data for this
Ligand-Target Pair
Urease


(Glycine max (Soybean))
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
2.00E+6n/an/an/an/an/an/an/an/a



Banaras Hindu University



Assay Description
The inhibition studies of soybean urease were initiated with boric acid and boronic acids (butylboronic acid, 4-bromophenylboronic acid, and phenylbo...


J Enzyme Inhib Med Chem 25: 646-52 (2010)


Article DOI: 10.3109/14756360903468155
BindingDB Entry DOI: 10.7270/Q2F18XM8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50434373
PNG
(CHEMBL2386992)
Show SMILES O=C1C=CC(=O)N1c1ccncc1
Show InChI InChI=1S/C9H6N2O2/c12-8-1-2-9(13)11(8)7-3-5-10-6-4-7/h1-6H
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine iodide as substrate incubated for 20 mins prior to substrate addition by Ellman method


Bioorg Med Chem Lett 23: 2984-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.026
BindingDB Entry DOI: 10.7270/Q289177M
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 expressed in insect cell system using arachidonic acid as substrate assessed as reduction of PGG2 to PGH2 incub...


Bioorg Med Chem Lett 24: 2251-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.087
BindingDB Entry DOI: 10.7270/Q2W66NBC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine iodide as substrate incubated for 20 mins prior to substrate addition by Ellman method


Bioorg Med Chem Lett 23: 2984-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.026
BindingDB Entry DOI: 10.7270/Q289177M
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 41n/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's method


Bioorg Med Chem 21: 5451-60 (2013)


Article DOI: 10.1016/j.bmc.2013.06.003
BindingDB Entry DOI: 10.7270/Q27W6DM2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50438537
PNG
(CHEMBL2414861)
Show SMILES O=C(NN=C(c1ccccc1)c1ccccc1)Nc1ccncc1
Show InChI InChI=1S/C19H16N4O/c24-19(21-17-11-13-20-14-12-17)23-22-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14H,(H2,20,21,23,24)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 52n/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's method


Bioorg Med Chem 21: 5451-60 (2013)


Article DOI: 10.1016/j.bmc.2013.06.003
BindingDB Entry DOI: 10.7270/Q27W6DM2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50438536
PNG
(CHEMBL2414862)
Show SMILES CC(=NNC(=O)Nc1ccncc1)c1ccc(O)cc1
Show InChI InChI=1S/C14H14N4O2/c1-10(11-2-4-13(19)5-3-11)17-18-14(20)16-12-6-8-15-9-7-12/h2-9,19H,1H3,(H2,15,16,18,20)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 148n/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's method


Bioorg Med Chem 21: 5451-60 (2013)


Article DOI: 10.1016/j.bmc.2013.06.003
BindingDB Entry DOI: 10.7270/Q27W6DM2
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50438536
PNG
(CHEMBL2414862)
Show SMILES CC(=NNC(=O)Nc1ccncc1)c1ccc(O)cc1
Show InChI InChI=1S/C14H14N4O2/c1-10(11-2-4-13(19)5-3-11)17-18-14(20)16-12-6-8-15-9-7-12/h2-9,19H,1H3,(H2,15,16,18,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 358n/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's method


Bioorg Med Chem 21: 5451-60 (2013)


Article DOI: 10.1016/j.bmc.2013.06.003
BindingDB Entry DOI: 10.7270/Q27W6DM2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50434375
PNG
(CHEMBL2386990)
Show SMILES Oc1ccc(O)n1-c1ccncc1
Show InChI InChI=1S/C9H8N2O2/c12-8-1-2-9(13)11(8)7-3-5-10-6-4-7/h1-6,12-13H
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 490n/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine iodide as substrate incubated for 20 mins prior to substrate addition by Ellman method


Bioorg Med Chem Lett 23: 2984-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.026
BindingDB Entry DOI: 10.7270/Q289177M
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50013681
PNG
(CHEMBL3264516)
Show SMILES CCOC(=O)c1c(C)oc2ccc(Oc3ccc(C)cc3)cc12
Show InChI InChI=1S/C19H18O4/c1-4-21-19(20)18-13(3)22-17-10-9-15(11-16(17)18)23-14-7-5-12(2)6-8-14/h5-11H,4H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4.20E+3n/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 expressed in insect cell system using arachidonic acid as substrate assessed as reduction of PGG2 to PGH2 incub...


Bioorg Med Chem Lett 24: 2251-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.087
BindingDB Entry DOI: 10.7270/Q2W66NBC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50438541
PNG
(CHEMBL2414858)
Show SMILES Oc1ccc(C=NNC(=O)Nc2ccncc2)c(O)c1
Show InChI InChI=1S/C13H12N4O3/c18-11-2-1-9(12(19)7-11)8-15-17-13(20)16-10-3-5-14-6-4-10/h1-8,18-19H,(H2,14,16,17,20)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.27E+3n/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's method


Bioorg Med Chem 21: 5451-60 (2013)


Article DOI: 10.1016/j.bmc.2013.06.003
BindingDB Entry DOI: 10.7270/Q27W6DM2
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50013680
PNG
(CHEMBL3264515)
Show SMILES CCOC(=O)c1c(C)oc2ccc(Oc3ccccc3C)cc12
Show InChI InChI=1S/C19H18O4/c1-4-21-19(20)18-13(3)22-17-10-9-14(11-15(17)18)23-16-8-6-5-7-12(16)2/h5-11H,4H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 6.10E+3n/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 expressed in insect cell system using arachidonic acid as substrate assessed as reduction of PGG2 to PGH2 incub...


Bioorg Med Chem Lett 24: 2251-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.087
BindingDB Entry DOI: 10.7270/Q2W66NBC
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50013687
PNG
(CHEMBL3264523)
Show SMILES CCOC(=O)c1c(C)oc2ccc(Oc3ccccn3)cc12
Show InChI InChI=1S/C17H15NO4/c1-3-20-17(19)16-11(2)21-14-8-7-12(10-13(14)16)22-15-6-4-5-9-18-15/h4-10H,3H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 8.10E+3n/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 expressed in insect cell system using arachidonic acid as substrate assessed as reduction of PGG2 to PGH2 incub...


Bioorg Med Chem Lett 24: 2251-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.087
BindingDB Entry DOI: 10.7270/Q2W66NBC
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50013682
PNG
(CHEMBL3264517)
Show SMILES CCOC(=O)c1c(C)oc2ccc(Oc3ccc(OC)cc3)cc12
Show InChI InChI=1S/C19H18O5/c1-4-22-19(20)18-12(2)23-17-10-9-15(11-16(17)18)24-14-7-5-13(21-3)6-8-14/h5-11H,4H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 8.60E+3n/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 expressed in insect cell system using arachidonic acid as substrate assessed as reduction of PGG2 to PGH2 incub...


Bioorg Med Chem Lett 24: 2251-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.087
BindingDB Entry DOI: 10.7270/Q2W66NBC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50438539
PNG
(CHEMBL2414860)
Show SMILES COc1ccc(C=NNC(=O)Nc2ccncc2)cc1OC
Show InChI InChI=1S/C15H16N4O3/c1-21-13-4-3-11(9-14(13)22-2)10-17-19-15(20)18-12-5-7-16-8-6-12/h3-10H,1-2H3,(H2,16,18,19,20)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.29E+4n/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's method


Bioorg Med Chem 21: 5451-60 (2013)


Article DOI: 10.1016/j.bmc.2013.06.003
BindingDB Entry DOI: 10.7270/Q27W6DM2
More data for this
Ligand-Target Pair
COX-1


(RAT)
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Inhibition of rat seminal vesicle COX-1 using arachidonic acid as substrate assessed as reduction of PGG2 to PGH2 incubated for 1 min prior to substr...


Bioorg Med Chem Lett 24: 2251-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.087
BindingDB Entry DOI: 10.7270/Q2W66NBC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cholinesterase


(Homo sapiens (human))
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.52E+4n/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's method


Bioorg Med Chem 21: 5451-60 (2013)


Article DOI: 10.1016/j.bmc.2013.06.003
BindingDB Entry DOI: 10.7270/Q27W6DM2
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50013688
PNG
(CHEMBL3264524)
Show SMILES CCOC(=O)c1c(C)oc2ccc(Oc3ccc4ccccc4c3)cc12
Show InChI InChI=1S/C22H18O4/c1-3-24-22(23)21-14(2)25-20-11-10-18(13-19(20)21)26-17-9-8-15-6-4-5-7-16(15)12-17/h4-13H,3H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 1.58E+4n/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 expressed in insect cell system using arachidonic acid as substrate assessed as reduction of PGG2 to PGH2 incub...


Bioorg Med Chem Lett 24: 2251-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.087
BindingDB Entry DOI: 10.7270/Q2W66NBC
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50013683
PNG
(CHEMBL3264518)
Show SMILES CCOC(=O)c1c(oc2ccc(Oc3ccccc3)cc12)-c1ccccc1
Show InChI InChI=1S/C23H18O4/c1-2-25-23(24)21-19-15-18(26-17-11-7-4-8-12-17)13-14-20(19)27-22(21)16-9-5-3-6-10-16/h3-15H,2H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.82E+4n/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 expressed in insect cell system using arachidonic acid as substrate assessed as reduction of PGG2 to PGH2 incub...


Bioorg Med Chem Lett 24: 2251-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.087
BindingDB Entry DOI: 10.7270/Q2W66NBC
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50438537
PNG
(CHEMBL2414861)
Show SMILES O=C(NN=C(c1ccccc1)c1ccccc1)Nc1ccncc1
Show InChI InChI=1S/C19H16N4O/c24-19(21-17-11-13-20-14-12-17)23-22-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14H,(H2,20,21,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.85E+4n/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's method


Bioorg Med Chem 21: 5451-60 (2013)


Article DOI: 10.1016/j.bmc.2013.06.003
BindingDB Entry DOI: 10.7270/Q27W6DM2
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50013679
PNG
(CHEMBL3264514)
Show SMILES CCOC(=O)c1c(C)oc2ccc(Oc3ccccc3)cc12
Show InChI InChI=1S/C18H16O4/c1-3-20-18(19)17-12(2)21-16-10-9-14(11-15(16)17)22-13-7-5-4-6-8-13/h4-11H,3H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.85E+4n/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 expressed in insect cell system using arachidonic acid as substrate assessed as reduction of PGG2 to PGH2 incub...


Bioorg Med Chem Lett 24: 2251-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.087
BindingDB Entry DOI: 10.7270/Q2W66NBC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50438538
PNG
(CHEMBL2413097)
Show SMILES COc1cc(C=NNC(=O)Nc2ccncc2)ccc1O
Show InChI InChI=1S/C14H14N4O3/c1-21-13-8-10(2-3-12(13)19)9-16-18-14(20)17-11-4-6-15-7-5-11/h2-9,19H,1H3,(H2,15,17,18,20)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.91E+4n/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's method


Bioorg Med Chem 21: 5451-60 (2013)


Article DOI: 10.1016/j.bmc.2013.06.003
BindingDB Entry DOI: 10.7270/Q27W6DM2
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50013686
PNG
(CHEMBL3264520)
Show SMILES CCOC(=O)c1c(oc2ccc(Oc3ccc(C)cc3)cc12)-c1ccccc1
Show InChI InChI=1S/C24H20O4/c1-3-26-24(25)22-20-15-19(27-18-11-9-16(2)10-12-18)13-14-21(20)28-23(22)17-7-5-4-6-8-17/h4-15H,3H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.92E+4n/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 expressed in insect cell system using arachidonic acid as substrate assessed as reduction of PGG2 to PGH2 incub...


Bioorg Med Chem Lett 24: 2251-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.087
BindingDB Entry DOI: 10.7270/Q2W66NBC
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50013684
PNG
(CHEMBL3264519)
Show SMILES CCOC(=O)c1c(oc2ccc(Oc3ccccc3C)cc12)-c1ccccc1
Show InChI InChI=1S/C24H20O4/c1-3-26-24(25)22-19-15-18(27-20-12-8-7-9-16(20)2)13-14-21(19)28-23(22)17-10-5-4-6-11-17/h4-15H,3H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.01E+4n/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 expressed in insect cell system using arachidonic acid as substrate assessed as reduction of PGG2 to PGH2 incub...


Bioorg Med Chem Lett 24: 2251-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.087
BindingDB Entry DOI: 10.7270/Q2W66NBC
More data for this
Ligand-Target Pair
COX-1


(RAT)
BDBM50013686
PNG
(CHEMBL3264520)
Show SMILES CCOC(=O)c1c(oc2ccc(Oc3ccc(C)cc3)cc12)-c1ccccc1
Show InChI InChI=1S/C24H20O4/c1-3-26-24(25)22-20-15-19(27-18-11-9-16(2)10-12-18)13-14-21(20)28-23(22)17-7-5-4-6-8-17/h4-15H,3H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.62E+4n/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Inhibition of rat seminal vesicle COX-1 using arachidonic acid as substrate assessed as reduction of PGG2 to PGH2 incubated for 1 min prior to substr...


Bioorg Med Chem Lett 24: 2251-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.087
BindingDB Entry DOI: 10.7270/Q2W66NBC
More data for this
Ligand-Target Pair
COX-1


(RAT)
BDBM50013687
PNG
(CHEMBL3264523)
Show SMILES CCOC(=O)c1c(C)oc2ccc(Oc3ccccn3)cc12
Show InChI InChI=1S/C17H15NO4/c1-3-20-17(19)16-11(2)21-14-8-7-12(10-13(14)16)22-15-6-4-5-9-18-15/h4-10H,3H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.79E+4n/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Inhibition of rat seminal vesicle COX-1 using arachidonic acid as substrate assessed as reduction of PGG2 to PGH2 incubated for 1 min prior to substr...


Bioorg Med Chem Lett 24: 2251-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.087
BindingDB Entry DOI: 10.7270/Q2W66NBC
More data for this
Ligand-Target Pair
COX-1


(RAT)
BDBM50013684
PNG
(CHEMBL3264519)
Show SMILES CCOC(=O)c1c(oc2ccc(Oc3ccccc3C)cc12)-c1ccccc1
Show InChI InChI=1S/C24H20O4/c1-3-26-24(25)22-19-15-18(27-20-12-8-7-9-16(20)2)13-14-21(19)28-23(22)17-10-5-4-6-11-17/h4-15H,3H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.98E+4n/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Inhibition of rat seminal vesicle COX-1 using arachidonic acid as substrate assessed as reduction of PGG2 to PGH2 incubated for 1 min prior to substr...


Bioorg Med Chem Lett 24: 2251-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.087
BindingDB Entry DOI: 10.7270/Q2W66NBC
More data for this
Ligand-Target Pair
COX-1


(RAT)
BDBM50013679
PNG
(CHEMBL3264514)
Show SMILES CCOC(=O)c1c(C)oc2ccc(Oc3ccccc3)cc12
Show InChI InChI=1S/C18H16O4/c1-3-20-18(19)17-12(2)21-16-10-9-14(11-15(16)17)22-13-7-5-4-6-8-13/h4-11H,3H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.08E+4n/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Inhibition of rat seminal vesicle COX-1 using arachidonic acid as substrate assessed as reduction of PGG2 to PGH2 incubated for 1 min prior to substr...


Bioorg Med Chem Lett 24: 2251-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.087
BindingDB Entry DOI: 10.7270/Q2W66NBC
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 72 total )  |  Next  |  Last  >>
Jump to: