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PubMed code 21615130

Compile data set for download or QSAR
Found 12 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
Transforming protein RhoA


(Homo sapiens (Human))		BDBM50347728
PNG
(CHEMBL1802838)
Show SMILES OC(=O)\C=C\c1cccc(Nc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C18H14N2O2/c21-18(22)11-8-13-4-3-6-15(12-13)19-17-10-9-14-5-1-2-7-16(14)20-17/h1-12H,(H,19,20)(H,21,22)/b11-8+
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n/an/a 1.24E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rhoA expressed in Escherichia coli BL21 after 1 hr by G-LISA activation based chemiluminiscence assay

J Med Chem 54: 4508-22 (2011)


Article DOI: 10.1021/jm200161c
BindingDB Entry DOI: 10.7270/Q2C53M61
More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens (Human))		BDBM50347729
PNG
(CHEMBL1802763)
Show SMILES OC(=O)\C=C\c1cccc(Nc2cnc3ccccc3n2)c1
Show InChI InChI=1S/C17H13N3O2/c21-17(22)9-8-12-4-3-5-13(10-12)19-16-11-18-14-6-1-2-7-15(14)20-16/h1-11H,(H,19,20)(H,21,22)/b9-8+
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n/an/a 1.51E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rhoA expressed in Escherichia coli BL21 after 1 hr by G-LISA activation based chemiluminiscence assay

J Med Chem 54: 4508-22 (2011)


Article DOI: 10.1021/jm200161c
BindingDB Entry DOI: 10.7270/Q2C53M61
More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens (Human))		BDBM50347730
PNG
(CHEMBL1802837)
Show SMILES OC\C=C\c1cccc(Nc2cnc3ccccc3n2)c1
Show InChI InChI=1S/C17H15N3O/c21-10-4-6-13-5-3-7-14(11-13)19-17-12-18-15-8-1-2-9-16(15)20-17/h1-9,11-12,21H,10H2,(H,19,20)/b6-4+
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n/an/a 1.68E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rhoA expressed in Escherichia coli BL21 after 1 hr by G-LISA activation based chemiluminiscence assay

J Med Chem 54: 4508-22 (2011)


Article DOI: 10.1021/jm200161c
BindingDB Entry DOI: 10.7270/Q2C53M61
More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens (Human))		BDBM50347727
PNG
(CHEMBL1802766)
Show SMILES OC(=O)CCc1cccc(Nc2cnc3ccccc3n2)c1
Show InChI InChI=1S/C17H15N3O2/c21-17(22)9-8-12-4-3-5-13(10-12)19-16-11-18-14-6-1-2-7-15(14)20-16/h1-7,10-11H,8-9H2,(H,19,20)(H,21,22)
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n/an/a 2.05E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rhoA expressed in Escherichia coli BL21 after 1 hr by G-LISA activation based chemiluminiscence assay

J Med Chem 54: 4508-22 (2011)


Article DOI: 10.1021/jm200161c
BindingDB Entry DOI: 10.7270/Q2C53M61
More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens (Human))		BDBM50347733
PNG
(CHEMBL1802534)
Show SMILES OC(=O)C1CCN(CC1)c1nc2ccc(cc2nc1N1CCC(CC1)C(O)=O)[N+]([O-])=O
Show InChI InChI=1S/C20H23N5O6/c26-19(27)12-3-7-23(8-4-12)17-18(24-9-5-13(6-10-24)20(28)29)22-16-11-14(25(30)31)1-2-15(16)21-17/h1-2,11-13H,3-10H2,(H,26,27)(H,28,29)
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n/an/a 2.09E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rhoA expressed in Escherichia coli BL21 after 1 hr by G-LISA activation based chemiluminiscence assay

J Med Chem 54: 4508-22 (2011)


Article DOI: 10.1021/jm200161c
BindingDB Entry DOI: 10.7270/Q2C53M61
More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens (Human))		BDBM50347736
PNG
(CHEMBL1802525)
Show SMILES OC(=O)\C=C\c1ccc(Nc2nc3ccc(cc3nc2Nc2ccc(\C=C\C(O)=O)cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C26H19N5O6/c32-23(33)13-5-16-1-7-18(8-2-16)27-25-26(28-19-9-3-17(4-10-19)6-14-24(34)35)30-22-15-20(31(36)37)11-12-21(22)29-25/h1-15H,(H,27,29)(H,28,30)(H,32,33)(H,34,35)/b13-5+,14-6+
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n/an/a 2.58E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rhoA expressed in Escherichia coli BL21 after 1 hr by G-LISA activation based chemiluminiscence assay

J Med Chem 54: 4508-22 (2011)


Article DOI: 10.1021/jm200161c
BindingDB Entry DOI: 10.7270/Q2C53M61
More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens (Human))		BDBM50347734
PNG
(CHEMBL1802767)
Show SMILES OC(=O)\C=C\c1cccc(Oc2cnc3ccccc3n2)c1
Show InChI InChI=1S/C17H12N2O3/c20-17(21)9-8-12-4-3-5-13(10-12)22-16-11-18-14-6-1-2-7-15(14)19-16/h1-11H,(H,20,21)/b9-8+
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n/an/a 2.62E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rhoA expressed in Escherichia coli BL21 after 1 hr by G-LISA activation based chemiluminiscence assay

J Med Chem 54: 4508-22 (2011)


Article DOI: 10.1021/jm200161c
BindingDB Entry DOI: 10.7270/Q2C53M61
More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens (Human))		BDBM50347732
PNG
(CHEMBL1802764)
Show SMILES C1COc2cc(Nc3cnc4ccccc4n3)ccc2O1
Show InChI InChI=1S/C16H13N3O2/c1-2-4-13-12(3-1)17-10-16(19-13)18-11-5-6-14-15(9-11)21-8-7-20-14/h1-6,9-10H,7-8H2,(H,18,19)
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n/an/a 3.00E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rhoA expressed in Escherichia coli BL21 after 1 hr by G-LISA activation based chemiluminiscence assay

J Med Chem 54: 4508-22 (2011)


Article DOI: 10.1021/jm200161c
BindingDB Entry DOI: 10.7270/Q2C53M61
More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens (Human))		BDBM50347731
PNG
(CHEMBL1802522)
Show SMILES OC(=O)\C=C\c1cccc(Nc2nc3ccc(cc3nc2Nc2cccc(\C=C\C(O)=O)c2)[N+]([O-])=O)c1
Show InChI InChI=1S/C26H19N5O6/c32-23(33)11-7-16-3-1-5-18(13-16)27-25-26(28-19-6-2-4-17(14-19)8-12-24(34)35)30-22-15-20(31(36)37)9-10-21(22)29-25/h1-15H,(H,27,29)(H,28,30)(H,32,33)(H,34,35)/b11-7+,12-8+
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n/an/a 3.28E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rhoA expressed in Escherichia coli BL21 after 1 hr by G-LISA activation based chemiluminiscence assay

J Med Chem 54: 4508-22 (2011)


Article DOI: 10.1021/jm200161c
BindingDB Entry DOI: 10.7270/Q2C53M61
More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens (Human))		BDBM50347735
PNG
(CHEMBL1802523)
Show SMILES OS(=O)(=O)c1ccc2c(NC3=CC(=O)C(=O)c4ccccc34)cccc2c1 |t:10|
Show InChI InChI=1S/C20H13NO5S/c22-19-11-18(15-5-1-2-6-16(15)20(19)23)21-17-7-3-4-12-10-13(27(24,25)26)8-9-14(12)17/h1-11,21H,(H,24,25,26)
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n/an/an/a 1.31E+4n/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity to rhoA by SPR assay

J Med Chem 54: 4508-22 (2011)


Article DOI: 10.1021/jm200161c
BindingDB Entry DOI: 10.7270/Q2C53M61
More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens (Human))		BDBM50347731
PNG
(CHEMBL1802522)
Show SMILES OC(=O)\C=C\c1cccc(Nc2nc3ccc(cc3nc2Nc2cccc(\C=C\C(O)=O)c2)[N+]([O-])=O)c1
Show InChI InChI=1S/C26H19N5O6/c32-23(33)11-7-16-3-1-5-18(13-16)27-25-26(28-19-6-2-4-17(14-19)8-12-24(34)35)30-22-15-20(31(36)37)9-10-21(22)29-25/h1-15H,(H,27,29)(H,28,30)(H,32,33)(H,34,35)/b11-7+,12-8+
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n/an/an/a 5.18E+3n/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity to rhoA by SPR assay

J Med Chem 54: 4508-22 (2011)


Article DOI: 10.1021/jm200161c
BindingDB Entry DOI: 10.7270/Q2C53M61
More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens (Human))		BDBM50347737
PNG
(CHEMBL1802524)
Show SMILES OC(=O)c1cccc(Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1
Show InChI InChI=1S/C22H18N6O2/c29-19(30)15-8-7-13-18(14-15)25-22-27-20(23-16-9-3-1-4-10-16)26-21(28-22)24-17-11-5-2-6-12-17/h1-14H,(H,29,30)(H3,23,24,25,26,27,28)
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n/an/an/a 4.47E+3n/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity to rhoA by SPR assay

J Med Chem 54: 4508-22 (2011)


Article DOI: 10.1021/jm200161c
BindingDB Entry DOI: 10.7270/Q2C53M61
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%