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Patent code US9422231

Compile Data Set for Download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
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
Tubulin alpha chain


(Trypanosoma cruzi)		BDBM240700
PNG
(US9422231, IMDNQ3)
Show SMILES CCCC(=O)N(C(=O)CCC)C1=C(Cl)C(=O)c2ccccc2C1=O |c:11|
Show InChI InChI=1S/C18H18ClNO4/c1-3-7-13(21)20(14(22)8-4-2)16-15(19)17(23)11-9-5-6-10-12(11)18(16)24/h5-6,9-10H,3-4,7-8H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.20E+3n/an/an/an/a6.930



HOWARD UNIVERSITY

US Patent


Assay Description
Tubulin assembly assays were conducted to assess tubulin polymerization inhibition. The assays were conducted in a 96-well microplate. Assembly react...

US Patent US9422231 (2016)


BindingDB Entry DOI: 10.7270/Q2Z03727
More data for this
Ligand-Target Pair
Tubulin alpha chain


(Trypanosoma cruzi)		BDBM50375664
PNG
(CHEMBL404939 | US9422231, IMDNQ1)
Show SMILES ClC1=C(N2C(=O)CCC2=O)C(=O)c2ccccc2C1=O |c:1|
Show InChI InChI=1S/C14H8ClNO4/c15-11-12(16-9(17)5-6-10(16)18)14(20)8-4-2-1-3-7(8)13(11)19/h1-4H,5-6H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 6.00E+3n/an/an/an/a6.930



HOWARD UNIVERSITY

US Patent


Assay Description
Tubulin assembly assays were conducted to assess tubulin polymerization inhibition. The assays were conducted in a 96-well microplate. Assembly react...

US Patent US9422231 (2016)


BindingDB Entry DOI: 10.7270/Q2Z03727
More data for this
Ligand-Target Pair
Tubulin alpha chain


(Trypanosoma cruzi)		BDBM240703
PNG
(US9422231, IMDNQ10)
Show SMILES ClC1=C(N(C(=O)c2cccc(Cl)c2)C(=O)c2cccc(Cl)c2)C(=O)c2ccccc2C1=O |c:1|
Show InChI InChI=1S/C24H12Cl3NO4/c25-15-7-3-5-13(11-15)23(31)28(24(32)14-6-4-8-16(26)12-14)20-19(27)21(29)17-9-1-2-10-18(17)22(20)30/h1-12H
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8.00E+3n/an/an/an/a6.930



HOWARD UNIVERSITY

US Patent


Assay Description
Tubulin assembly assays were conducted to assess tubulin polymerization inhibition. The assays were conducted in a 96-well microplate. Assembly react...

US Patent US9422231 (2016)


BindingDB Entry DOI: 10.7270/Q2Z03727
More data for this
Ligand-Target Pair
Tubulin alpha chain


(Trypanosoma cruzi)		BDBM240701
PNG
(US9422231, IMDNQ2)
Show SMILES ClC1=C(N2C(=O)c3ccccc3C2=O)C(=O)c2ccccc2C1=O |c:1|
Show InChI InChI=1S/C18H8ClNO4/c19-13-14(16(22)10-6-2-1-5-9(10)15(13)21)20-17(23)11-7-3-4-8-12(11)18(20)24/h1-8H
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.20E+4n/an/an/an/a6.930



HOWARD UNIVERSITY

US Patent


Assay Description
Tubulin assembly assays were conducted to assess tubulin polymerization inhibition. The assays were conducted in a 96-well microplate. Assembly react...

US Patent US9422231 (2016)


BindingDB Entry DOI: 10.7270/Q2Z03727
More data for this
Ligand-Target Pair
Tubulin alpha chain


(Trypanosoma cruzi)		BDBM240702
PNG
(US9422231, IMDNQ11)
Show SMILES ClCC(=O)N(C(=O)CCl)C1=C(Cl)C(=O)c2ccccc2C1=O |c:9|
Show InChI InChI=1S/C14H8Cl3NO4/c15-5-9(19)18(10(20)6-16)12-11(17)13(21)7-3-1-2-4-8(7)14(12)22/h1-4H,5-6H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>4.00E+4n/an/an/an/a6.930



HOWARD UNIVERSITY

US Patent


Assay Description
Tubulin assembly assays were conducted to assess tubulin polymerization inhibition. The assays were conducted in a 96-well microplate. Assembly react...

US Patent US9422231 (2016)


BindingDB Entry DOI: 10.7270/Q2Z03727
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%