BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 8 hits of kd data for polymerid = 3620,5111   
Target
(Institution)
LigandTarget
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
Butyrylcholine esterase


(Homo sapiens (human))
BDBM91725
PNG
(Carbacylamidophosphate, 2a)
Show SMILES ClP(Cl)(=O)NC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C7H5BrCl2NO2P/c8-6-3-1-5(2-4-6)7(12)11-14(9,10)13/h1-4H,(H,11,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 6.50E+5 2.10E+6n/an/an/a7.437



Tarbiat Modares University



Assay Description
In-vitro and vivo using AChE and BuChE enzyme.


Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
BDBM91726
PNG
(Carbacylamidophosphate, 2b)
Show SMILES Brc1ccc(cc1)C(=O)NP(=O)(N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C15H21BrN3O4P/c16-14-3-1-13(2-4-14)15(20)17-24(21,18-5-9-22-10-6-18)19-7-11-23-12-8-19/h1-4H,5-12H2,(H,17,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 5.24E+6 4.37E+6n/an/an/a7.437



Tarbiat Modares University



Assay Description
In-vitro and vivo using AChE and BuChE enzyme.


Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
BDBM91724
PNG
(Carbacylamidophosphate, 1b)
Show SMILES Clc1ccc(cc1)C(=O)NP(=O)(N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C15H21ClN3O4P/c16-14-3-1-13(2-4-14)15(20)17-24(21,18-5-9-22-10-6-18)19-7-11-23-12-8-19/h1-4H,5-12H2,(H,17,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 9.98E+6 5.06E+6n/an/an/a7.437



Tarbiat Modares University



Assay Description
In-vitro and vivo using AChE and BuChE enzyme.


Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
BDBM91729
PNG
(Carbacylamidophosphate, 4a)
Show SMILES Cc1ccc(cc1)C(=O)NP(Cl)(Cl)=O
Show InChI InChI=1S/C8H8Cl2NO2P/c1-6-2-4-7(5-3-6)8(12)11-14(9,10)13/h2-5H,1H3,(H,11,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 1.20E+6 8.90E+6n/an/an/a7.437



Tarbiat Modares University



Assay Description
In-vitro and vivo using AChE and BuChE enzyme.


Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
BDBM91727
PNG
(Carbacylamidophosphate, 3a)
Show SMILES ClP(Cl)(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C7H6Cl2NO2P/c8-13(9,12)10-7(11)6-4-2-1-3-5-6/h1-5H,(H,10,11,12)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 4.80E+6 1.80E+7n/an/an/a7.437



Tarbiat Modares University



Assay Description
In-vitro and vivo using AChE and BuChE enzyme.


Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
BDBM91730
PNG
(Carbacylamidophosphate, 4b)
Show SMILES Cc1ccc(cc1)C(=O)NP(=O)(N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C16H24N3O4P/c1-14-2-4-15(5-3-14)16(20)17-24(21,18-6-10-22-11-7-18)19-8-12-23-13-9-19/h2-5H,6-13H2,1H3,(H,17,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 1.67E+7 3.36E+7n/an/an/a7.437



Tarbiat Modares University



Assay Description
In-vitro and vivo using AChE and BuChE enzyme.


Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
BDBM91723
PNG
(Carbacylamidophosphate, 1a)
Show SMILES Clc1ccc(cc1)C(=O)NP(Cl)(Cl)=O
Show InChI InChI=1S/C7H5Cl3NO2P/c8-6-3-1-5(2-4-6)7(12)11-14(9,10)13/h1-4H,(H,11,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

AffyNet 
Article
PubMed
n/an/a 9.20E+5 4.30E+7n/an/an/a7.437



Tarbiat Modares University



Assay Description
In-vitro and vivo using AChE and BuChE enzyme.


Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
BDBM91728
PNG
(Carbacylamidophosphate, 3b)
Show SMILES O=C(NP(=O)(N1CCOCC1)N1CCOCC1)c1ccccc1
Show InChI InChI=1S/C15H22N3O4P/c19-15(14-4-2-1-3-5-14)16-23(20,17-6-10-21-11-7-17)18-8-12-22-13-9-18/h1-5H,6-13H2,(H,16,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 5.56E+7 7.68E+7n/an/an/a7.437



Tarbiat Modares University



Assay Description
In-vitro and vivo using AChE and BuChE enzyme.


Citation and Details
More data for this
Ligand-Target Pair