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Compile Data Set for Download or QSAR

Found 48 hits Enz. Inhib. hit(s) with Target = 'Transforming protein RhoA' AND taxid = 9606   
Target
(Institution)
LigandTarget
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)
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)

More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens)
BDBM50436224
PNG
(CHEMBL2398697)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCCC(C1)C(=O)Nc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C27H22F6N2O3/c28-26(29,30)19-12-18(13-20(14-19)27(31,32)33)25(37)35-11-5-6-17(16-35)24(36)34-21-7-4-10-23(15-21)38-22-8-2-1-3-9-22/h1-4,7-10,12-15,17H,5-6,11,16H2,(H,34,36)
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n/an/a 1.50E+3n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3826-32 (2013)

More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens)
BDBM50436223
PNG
(CHEMBL2398698)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCCC(C1)C(=O)Nc1cccc(Cc2ccccc2)c1
Show InChI InChI=1S/C28H24F6N2O2/c29-27(30,31)22-14-21(15-23(16-22)28(32,33)34)26(38)36-11-5-9-20(17-36)25(37)35-24-10-4-8-19(13-24)12-18-6-2-1-3-7-18/h1-4,6-8,10,13-16,20H,5,9,11-12,17H2,(H,35,37)
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n/an/a 1.60E+3n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3826-32 (2013)

More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens)
BDBM50436222
PNG
(CHEMBL2398699)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCCC(C1)C(=O)Nc1cccc(OCCc2ccccn2)c1
Show InChI InChI=1S/C28H25F6N3O3/c29-27(30,31)20-13-19(14-21(15-20)28(32,33)34)26(39)37-11-4-5-18(17-37)25(38)36-23-7-3-8-24(16-23)40-12-9-22-6-1-2-10-35-22/h1-3,6-8,10,13-16,18H,4-5,9,11-12,17H2,(H,36,38)
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n/an/a 2.30E+3n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3826-32 (2013)

More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens)
BDBM50436244
PNG
(CHEMBL2398669)
Show SMILES Clc1ccc(NC(=O)C2CCCN(C2)C(=O)c2cccc(c2)-c2cccs2)cc1
Show InChI InChI=1S/C23H21ClN2O2S/c24-19-8-10-20(11-9-19)25-22(27)18-6-2-12-26(15-18)23(28)17-5-1-4-16(14-17)21-7-3-13-29-21/h1,3-5,7-11,13-14,18H,2,6,12,15H2,(H,25,27)
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n/an/a 4.70E+3n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3826-32 (2013)

More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens)
BDBM50436236
PNG
(CHEMBL2398678)
Show SMILES Clc1ccc(NC(=O)C2CCCN(C2)C(=O)c2cccc(c2)-c2ccco2)cc1
Show InChI InChI=1S/C23H21ClN2O3/c24-19-8-10-20(11-9-19)25-22(27)18-6-2-12-26(15-18)23(28)17-5-1-4-16(14-17)21-7-3-13-29-21/h1,3-5,7-11,13-14,18H,2,6,12,15H2,(H,25,27)
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n/an/a 5.30E+3n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human SK-Mel-147 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene ...


Bioorg Med Chem Lett 23: 3826-32 (2013)

More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens)
BDBM50436221
PNG
(CHEMBL2398700)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCCC(C1)C(=O)Nc1cccc(c1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C25H25F6N3O4S/c26-24(27,28)18-11-17(12-19(13-18)25(29,30)31)23(36)33-8-4-5-16(15-33)22(35)32-20-6-3-7-21(14-20)39(37,38)34-9-1-2-10-34/h3,6-7,11-14,16H,1-2,4-5,8-10,15H2,(H,32,35)
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n/an/a 5.60E+3n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3826-32 (2013)

More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens)
BDBM50436255
PNG
(CHEMBL2398701)
Show SMILES Cc1nc(cs1)-c1cccc(NC(=O)C2CCCN(C2)C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C25H21F6N3O2S/c1-14-32-21(13-37-14)15-4-2-6-20(10-15)33-22(35)16-5-3-7-34(12-16)23(36)17-8-18(24(26,27)28)11-19(9-17)25(29,30)31/h2,4,6,8-11,13,16H,3,5,7,12H2,1H3,(H,33,35)
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n/an/a 6.10E+3n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3826-32 (2013)

More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens)
BDBM50436236
PNG
(CHEMBL2398678)
Show SMILES Clc1ccc(NC(=O)C2CCCN(C2)C(=O)c2cccc(c2)-c2ccco2)cc1
Show InChI InChI=1S/C23H21ClN2O3/c24-19-8-10-20(11-9-19)25-22(27)18-6-2-12-26(15-18)23(28)17-5-1-4-16(14-17)21-7-3-13-29-21/h1,3-5,7-11,13-14,18H,2,6,12,15H2,(H,25,27)
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n/an/a 6.40E+3n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3826-32 (2013)

More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens)
BDBM50436241
PNG
(CHEMBL2398672)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCCC(C1)C(=O)Nc1cccc(OCc2ccccn2)c1
Show InChI InChI=1S/C27H23F6N3O3/c28-26(29,30)19-11-18(12-20(13-19)27(31,32)33)25(38)36-10-4-5-17(15-36)24(37)35-21-7-3-8-23(14-21)39-16-22-6-1-2-9-34-22/h1-3,6-9,11-14,17H,4-5,10,15-16H2,(H,35,37)
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n/an/a 7.40E+3n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3826-32 (2013)

More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens)
BDBM50436254
PNG
(CHEMBL2398702)
Show SMILES CCc1cccc(NC(=O)C2CCCN(C2)C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C23H22F6N2O2/c1-2-14-5-3-7-19(9-14)30-20(32)15-6-4-8-31(13-15)21(33)16-10-17(22(24,25)26)12-18(11-16)23(27,28)29/h3,5,7,9-12,15H,2,4,6,8,13H2,1H3,(H,30,32)
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n/an/a 8.10E+3n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3826-32 (2013)

More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens)
BDBM50436243
PNG
(CHEMBL2398670)
Show SMILES Clc1ccc(NC(=O)C2CCCN(C2)C(=O)c2ccc(cc2)-c2ccco2)cc1
Show InChI InChI=1S/C23H21ClN2O3/c24-19-9-11-20(12-10-19)25-22(27)18-3-1-13-26(15-18)23(28)17-7-5-16(6-8-17)21-4-2-14-29-21/h2,4-12,14,18H,1,3,13,15H2,(H,25,27)
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College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3826-32 (2013)

More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens)
BDBM50436237
PNG
(CHEMBL603141)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCCC(C1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C21H17ClF6N2O2/c22-16-3-5-17(6-4-16)29-18(31)12-2-1-7-30(11-12)19(32)13-8-14(20(23,24)25)10-15(9-13)21(26,27)28/h3-6,8-10,12H,1-2,7,11H2,(H,29,31)
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n/an/a 9.80E+3n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3826-32 (2013)

More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens)
BDBM50436235
PNG
(CHEMBL2398679)
Show SMILES Clc1ccc(NC(=O)C2CCCN(C2)C(=O)c2cccc(c2)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C26H23ClN2O3/c27-22-11-13-23(14-12-22)28-25(31)21-10-5-15-29(17-21)26(32)20-9-4-8-19(16-20)24(30)18-6-2-1-3-7-18/h1-4,6-9,11-14,16,21H,5,10,15,17H2,(H,28,31)
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n/an/a 9.90E+3n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3826-32 (2013)

More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens)
BDBM50436240
PNG
(CHEMBL2398673)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCCC(C1)C(=O)Nc1cccc(Oc2ccccn2)c1
Show InChI InChI=1S/C26H21F6N3O3/c27-25(28,29)18-11-17(12-19(13-18)26(30,31)32)24(37)35-10-4-5-16(15-35)23(36)34-20-6-3-7-21(14-20)38-22-8-1-2-9-33-22/h1-3,6-9,11-14,16H,4-5,10,15H2,(H,34,36)
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n/an/a 1.00E+4n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3826-32 (2013)

More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens)
BDBM50436239
PNG
(CHEMBL2398674)
Show SMILES CSc1cccc(NC(=O)C2CCCN(C2)C(=O)c2cccc(c2)-c2ccco2)c1
Show InChI InChI=1S/C24H24N2O3S/c1-30-21-10-3-9-20(15-21)25-23(27)19-8-4-12-26(16-19)24(28)18-7-2-6-17(14-18)22-11-5-13-29-22/h2-3,5-7,9-11,13-15,19H,4,8,12,16H2,1H3,(H,25,27)
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n/an/a 1.00E+4n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3826-32 (2013)

More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens)
BDBM50436253
PNG
(CHEMBL2398703)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCCC(C1)C(=O)Nc1cccc(C=C)c1
Show InChI InChI=1S/C23H20F6N2O2/c1-2-14-5-3-7-19(9-14)30-20(32)15-6-4-8-31(13-15)21(33)16-10-17(22(24,25)26)12-18(11-16)23(27,28)29/h2-3,5,7,9-12,15H,1,4,6,8,13H2,(H,30,32)
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n/an/a 1.10E+4n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3826-32 (2013)

More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens)
BDBM50436251
PNG
(CHEMBL2398705)
Show SMILES CSc1cccc(NC(=O)C2CCCN(C2)C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C22H20F6N2O2S/c1-33-18-6-2-5-17(11-18)29-19(31)13-4-3-7-30(12-13)20(32)14-8-15(21(23,24)25)10-16(9-14)22(26,27)28/h2,5-6,8-11,13H,3-4,7,12H2,1H3,(H,29,31)
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n/an/a 1.20E+4n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3826-32 (2013)

More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens)
BDBM50436252
PNG
(CHEMBL2398704)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCCC(C1)C(=O)Nc1cccc(c1)-c1cnco1
Show InChI InChI=1S/C24H19F6N3O3/c25-23(26,27)17-7-16(8-18(10-17)24(28,29)30)22(35)33-6-2-4-15(12-33)21(34)32-19-5-1-3-14(9-19)20-11-31-13-36-20/h1,3,5,7-11,13,15H,2,4,6,12H2,(H,32,34)
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n/an/a 1.20E+4n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3826-32 (2013)

More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens)
BDBM50436242
PNG
(CHEMBL2398671)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCCC(C1)C(=O)Nc1cccc(c1)-c1ccco1
Show InChI InChI=1S/C25H20F6N2O3/c26-24(27,28)18-10-17(11-19(13-18)25(29,30)31)23(35)33-8-2-5-16(14-33)22(34)32-20-6-1-4-15(12-20)21-7-3-9-36-21/h1,3-4,6-7,9-13,16H,2,5,8,14H2,(H,32,34)
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n/an/a 2.10E+4n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3826-32 (2013)

More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens)
BDBM50436250
PNG
(CHEMBL2398706)
Show SMILES COC(=O)c1cccc(NC(=O)C2CCCN(C2)C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C23H20F6N2O4/c1-35-21(34)13-4-2-6-18(10-13)30-19(32)14-5-3-7-31(12-14)20(33)15-8-16(22(24,25)26)11-17(9-15)23(27,28)29/h2,4,6,8-11,14H,3,5,7,12H2,1H3,(H,30,32)
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n/an/a 2.60E+4n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3826-32 (2013)

More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens)
BDBM50436233
PNG
(CHEMBL2398681)
Show SMILES CC(C)(C)CC(=O)Nc1cccc(c1)C(=O)N1CCCC(C1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C25H30ClN3O3/c1-25(2,3)15-22(30)27-21-8-4-6-17(14-21)24(32)29-13-5-7-18(16-29)23(31)28-20-11-9-19(26)10-12-20/h4,6,8-12,14,18H,5,7,13,15-16H2,1-3H3,(H,27,30)(H,28,31)
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n/an/a 2.60E+4n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3826-32 (2013)

More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens)
BDBM50436234
PNG
(CHEMBL2398680)
Show SMILES Clc1ccc(NC(=O)C2CCCN(C2)C(=O)c2cccc(c2)-c2nccs2)cc1
Show InChI InChI=1S/C22H20ClN3O2S/c23-18-6-8-19(9-7-18)25-20(27)17-5-2-11-26(14-17)22(28)16-4-1-3-15(13-16)21-24-10-12-29-21/h1,3-4,6-10,12-13,17H,2,5,11,14H2,(H,25,27)
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n/an/a 2.70E+4n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3826-32 (2013)

More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens)
BDBM50436249
PNG
(CHEMBL2398707)
Show SMILES COc1cccc(NC(=O)C2CCCN(C2)C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C22H20F6N2O3/c1-33-18-6-2-5-17(11-18)29-19(31)13-4-3-7-30(12-13)20(32)14-8-15(21(23,24)25)10-16(9-14)22(26,27)28/h2,5-6,8-11,13H,3-4,7,12H2,1H3,(H,29,31)
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n/an/a 3.00E+4n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3826-32 (2013)

More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens)
BDBM50436238
PNG
(CHEMBL2398676)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCCC(C1)C(=O)Nc1ccc(Cl)nc1
Show InChI InChI=1S/C20H16ClF6N3O2/c21-16-4-3-15(9-28-16)29-17(31)11-2-1-5-30(10-11)18(32)12-6-13(19(22,23)24)8-14(7-12)20(25,26)27/h3-4,6-9,11H,1-2,5,10H2,(H,29,31)
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n/an/a 3.10E+4n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3826-32 (2013)

More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens)
BDBM50436247
PNG
(CHEMBL2398709)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCCC(C1)C(=O)Nc1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C26H27F6N3O3/c27-25(28,29)20-12-19(13-21(14-20)26(30,31)32)24(37)35-6-2-4-18(16-35)23(36)33-22-5-1-3-17(11-22)15-34-7-9-38-10-8-34/h1,3,5,11-14,18H,2,4,6-10,15-16H2,(H,33,36)
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n/an/a 3.20E+4n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3826-32 (2013)

More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens)
BDBM50436248
PNG
(CHEMBL2398708)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCCC(C1)C(=O)Nc1cccc(c1)C#N
Show InChI InChI=1S/C22H17F6N3O2/c23-21(24,25)16-8-15(9-17(10-16)22(26,27)28)20(33)31-6-2-4-14(12-31)19(32)30-18-5-1-3-13(7-18)11-29/h1,3,5,7-10,14H,2,4,6,12H2,(H,30,32)
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n/an/a 3.20E+4n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3826-32 (2013)

More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens)
BDBM50436232
PNG
(CHEMBL2398682)
Show SMILES Clc1ccc(NC(=O)C2CCCN(C2)C(=O)c2cccc(C=C)c2)cc1
Show InChI InChI=1S/C21H21ClN2O2/c1-2-15-5-3-6-16(13-15)21(26)24-12-4-7-17(14-24)20(25)23-19-10-8-18(22)9-11-19/h2-3,5-6,8-11,13,17H,1,4,7,12,14H2,(H,23,25)
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n/an/a 3.30E+4n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3826-32 (2013)

More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens)
BDBM50436231
PNG
(CHEMBL2398683)
Show SMILES Cc1nc(cs1)-c1cccc(c1)C(=O)N1CCCC(C1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C23H22ClN3O2S/c1-15-25-21(14-30-15)16-4-2-5-17(12-16)23(29)27-11-3-6-18(13-27)22(28)26-20-9-7-19(24)8-10-20/h2,4-5,7-10,12,14,18H,3,6,11,13H2,1H3,(H,26,28)
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n/an/a 3.30E+4n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3826-32 (2013)

More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens)
BDBM50436229
PNG
(CHEMBL2398685)
Show SMILES CSc1cccc(c1)C(=O)N1CCCC(C1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClN2O2S/c1-26-18-6-2-4-14(12-18)20(25)23-11-3-5-15(13-23)19(24)22-17-9-7-16(21)8-10-17/h2,4,6-10,12,15H,3,5,11,13H2,1H3,(H,22,24)
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n/an/a 3.50E+4n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3826-32 (2013)

More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens)
BDBM50436230
PNG
(CHEMBL2398684)
Show SMILES Cc1cccc(c1)C(=O)N1CCCC(C1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClN2O2/c1-14-4-2-5-15(12-14)20(25)23-11-3-6-16(13-23)19(24)22-18-9-7-17(21)8-10-18/h2,4-5,7-10,12,16H,3,6,11,13H2,1H3,(H,22,24)
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n/an/a 3.50E+4n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3826-32 (2013)

More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens)
BDBM50436228
PNG
(CHEMBL2398686)
Show SMILES Clc1ccc(NC(=O)C2CCCN(C2)C(=O)c2cccc(c2)-c2cnco2)cc1
Show InChI InChI=1S/C22H20ClN3O3/c23-18-6-8-19(9-7-18)25-21(27)17-5-2-10-26(13-17)22(28)16-4-1-3-15(11-16)20-12-24-14-29-20/h1,3-4,6-9,11-12,14,17H,2,5,10,13H2,(H,25,27)
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n/an/a 4.30E+4n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3826-32 (2013)

More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens)
BDBM50436227
PNG
(CHEMBL2398687)
Show SMILES CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)N1CCCC(C1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C23H28ClN3O4S/c1-3-27(4-2)32(30,31)21-9-5-7-17(15-21)23(29)26-14-6-8-18(16-26)22(28)25-20-12-10-19(24)11-13-20/h5,7,9-13,15,18H,3-4,6,8,14,16H2,1-2H3,(H,25,28)
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n/an/a 5.10E+4n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3826-32 (2013)

More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens)
BDBM50436246
PNG
(CHEMBL2398710)
Show SMILES [O-][N+](=O)c1cccc(NC(=O)C2CCCN(C2)C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C21H17F6N3O4/c22-20(23,24)14-7-13(8-15(9-14)21(25,26)27)19(32)29-6-2-3-12(11-29)18(31)28-16-4-1-5-17(10-16)30(33)34/h1,4-5,7-10,12H,2-3,6,11H2,(H,28,31)
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n/an/a 6.60E+4n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3826-32 (2013)

More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens)
BDBM50436226
PNG
(CHEMBL2398688)
Show SMILES COC(=O)c1cccc(c1)C(=O)N1CCCC(C1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C21H21ClN2O4/c1-28-21(27)15-5-2-4-14(12-15)20(26)24-11-3-6-16(13-24)19(25)23-18-9-7-17(22)8-10-18/h2,4-5,7-10,12,16H,3,6,11,13H2,1H3,(H,23,25)
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n/an/a 6.70E+4n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3826-32 (2013)

More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens)
BDBM50436245
PNG
(CHEMBL2398711)
Show SMILES CC(=O)c1cccc(NC(=O)C2CCCN(C2)C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C23H20F6N2O3/c1-13(32)14-4-2-6-19(10-14)30-20(33)15-5-3-7-31(12-15)21(34)16-8-17(22(24,25)26)11-18(9-16)23(27,28)29/h2,4,6,8-11,15H,3,5,7,12H2,1H3,(H,30,33)
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n/an/a 7.60E+4n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3826-32 (2013)

More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens)
BDBM50436225
PNG
(CHEMBL2398689)
Show SMILES Cc1nc(no1)-c1cccc(c1)C(=O)N1CCCC(C1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C22H21ClN4O3/c1-14-24-20(26-30-14)15-4-2-5-16(12-15)22(29)27-11-3-6-17(13-27)21(28)25-19-9-7-18(23)8-10-19/h2,4-5,7-10,12,17H,3,6,11,13H2,1H3,(H,25,28)
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n/an/a 7.80E+4n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3826-32 (2013)

More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens)
BDBM50347735
PNG
(CHEMBL1802523)
Show SMILES OS(=O)(=O)c1ccc2c(NC3=CC(=O)C(=O)c4ccccc34)cccc2c1
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)

More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens)
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)

More data for this
Ligand-Target Pair