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Compile Data Set for Download or QSAR

Found 43 hits of affinity data for UniProtKB/TrEMBL: P11308   
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
Transcriptional regulator ERG


(Homo sapiens)
BDBM50417421
PNG
(CHEMBL1290597)
Show SMILES CN1C(=O)CCc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)c(C)ccc12
Show InChI InChI=1S/C27H32N4O/c1-19-7-11-25-22(10-12-27(32)29(25)3)21(19)13-14-30-15-17-31(18-16-30)26-6-4-5-24-23(26)9-8-20(2)28-24/h4-9,11H,10,12-18H2,1-3H3
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794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide in human ERG expressed in CHO cells by proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional regulator ERG


(Homo sapiens)
BDBM50417418
PNG
(CHEMBL1289617)
Show SMILES C[C@H]1CN(CCN1CCc1c(C)ccc2n(C)c(=O)ccc12)c1cc(F)cc2nc(C)ccc12
Show InChI InChI=1S/C28H31FN4O/c1-18-5-9-26-23(8-10-28(34)31(26)4)22(18)11-12-32-13-14-33(17-20(32)3)27-16-21(29)15-25-24(27)7-6-19(2)30-25/h5-10,15-16,20H,11-14,17H2,1-4H3/t20-/m0/s1
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1.26E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide in human ERG expressed in CHO cells by proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional regulator ERG


(Homo sapiens)
BDBM50417417
PNG
(CHEMBL1289509)
Show SMILES C[C@H]1CN(CCN1CCc1c(C)ccc2n(C)c(=O)ccc12)c1cccc2nc(C)ccc12
Show InChI InChI=1S/C28H32N4O/c1-19-8-12-26-23(11-13-28(33)30(26)4)22(19)14-15-31-16-17-32(18-21(31)3)27-7-5-6-25-24(27)10-9-20(2)29-25/h5-13,21H,14-18H2,1-4H3/t21-/m0/s1
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1.58E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide in human ERG expressed in CHO cells by proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional regulator ERG


(Homo sapiens)
BDBM50417426
PNG
(CHEMBL1289721)
Show SMILES Cc1ccc2c(cccc2n1)C1CCN(CCc2c(C)ccc3n(C)c(=O)ccc23)CC1
Show InChI InChI=1S/C28H31N3O/c1-19-7-11-27-25(10-12-28(32)30(27)3)22(19)15-18-31-16-13-21(14-17-31)23-5-4-6-26-24(23)9-8-20(2)29-26/h4-12,21H,13-18H2,1-3H3
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2.00E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide in human ERG expressed in CHO cells by proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional regulator ERG


(Homo sapiens)
BDBM50417419
PNG
(CHEMBL1289618)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3n(C)c(=O)ccc23)C(C)(C)C1
Show InChI InChI=1S/C28H32N4O/c1-20-11-12-23-24(29-20)8-6-10-26(23)31-17-18-32(28(2,3)19-31)16-15-21-7-5-9-25-22(21)13-14-27(33)30(25)4/h5-14H,15-19H2,1-4H3
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2.51E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide in human ERG expressed in CHO cells by proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional regulator ERG


(Homo sapiens)
BDBM50413549
PNG
(CHEMBL513715)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3NC(=O)COc23)CC1
Show InChI InChI=1S/C24H26N4O2/c1-17-8-9-19-20(25-17)5-3-7-22(19)28-14-12-27(13-15-28)11-10-18-4-2-6-21-24(18)30-16-23(29)26-21/h2-9H,10-16H2,1H3,(H,26,29)
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2.51E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide in human ERG expressed in CHO cells by proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional regulator ERG


(Homo sapiens)
BDBM50417414
PNG
(CHEMBL1289276)
Show SMILES Cc1ccc2c(cc(F)cc2n1)N1CCN(CCc2c(C)ccc3n(C)c(=O)ccc23)CC1
Show InChI InChI=1S/C27H29FN4O/c1-18-4-8-25-22(7-9-27(33)30(25)3)21(18)10-11-31-12-14-32(15-13-31)26-17-20(28)16-24-23(26)6-5-19(2)29-24/h4-9,16-17H,10-15H2,1-3H3
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2.51E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide in human ERG expressed in CHO cells by proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional regulator ERG


(Homo sapiens)
BDBM50417420
PNG
(CHEMBL1290486)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3NC(=O)CCc23)CC1
Show InChI InChI=1S/C25H28N4O/c1-18-8-9-21-23(26-18)6-3-7-24(21)29-16-14-28(15-17-29)13-12-19-4-2-5-22-20(19)10-11-25(30)27-22/h2-9H,10-17H2,1H3,(H,27,30)
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3.16E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide in human ERG expressed in CHO cells by proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional regulator ERG


(Homo sapiens)
BDBM50417410
PNG
(CHEMBL1290596)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2c(C)ccc3NC(=O)CCc23)CC1
Show InChI InChI=1S/C26H30N4O/c1-18-6-10-24-21(9-11-26(31)28-24)20(18)12-13-29-14-16-30(17-15-29)25-5-3-4-23-22(25)8-7-19(2)27-23/h3-8,10H,9,11-17H2,1-2H3,(H,28,31)
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3.98E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide in human ERG expressed in CHO cells by proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional regulator ERG


(Homo sapiens)
BDBM50417422
PNG
(CHEMBL1289048)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2c(C)ccc3n(C)c(=O)ccc23)CC1
Show InChI InChI=1S/C27H30N4O/c1-19-7-11-25-22(10-12-27(32)29(25)3)21(19)13-14-30-15-17-31(18-16-30)26-6-4-5-24-23(26)9-8-20(2)28-24/h4-12H,13-18H2,1-3H3
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3.98E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide in human ERG expressed in CHO cells by proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional regulator ERG


(Homo sapiens)
BDBM50413550
PNG
(CHEMBL469345)
Show SMILES CN1C(=O)COc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12
Show InChI InChI=1S/C25H28N4O2/c1-18-9-10-20-21(26-18)6-4-7-22(20)29-15-13-28(14-16-29)12-11-19-5-3-8-23-25(19)31-17-24(30)27(23)2/h3-10H,11-17H2,1-2H3
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3.98E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide in human ERG expressed in CHO cells by proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional regulator ERG


(Homo sapiens)
BDBM50417409
PNG
(CHEMBL1290487)
Show SMILES CN1C(=O)CCc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12
Show InChI InChI=1S/C26H30N4O/c1-19-9-10-22-23(27-19)6-4-8-25(22)30-17-15-29(16-18-30)14-13-20-5-3-7-24-21(20)11-12-26(31)28(24)2/h3-10H,11-18H2,1-2H3
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3.98E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide in human ERG expressed in CHO cells by proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional regulator ERG


(Homo sapiens)
BDBM50417423
PNG
(CHEMBL1289164)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2c(Cl)ccc3n(C)c(=O)ccc23)CC1
Show InChI InChI=1S/C26H27ClN4O/c1-18-6-7-21-23(28-18)4-3-5-25(21)31-16-14-30(15-17-31)13-12-19-20-8-11-26(32)29(2)24(20)10-9-22(19)27/h3-11H,12-17H2,1-2H3
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5.01E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide in human ERG expressed in CHO cells by proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional regulator ERG


(Homo sapiens)
BDBM50417416
PNG
(CHEMBL1287827)
Show SMILES C[C@H]1CN(CCN1CCc1cccc2n(C)c(=O)ccc12)c1cccc2nc(C)ccc12
Show InChI InChI=1S/C27H30N4O/c1-19-10-11-23-24(28-19)7-5-9-26(23)31-17-16-30(20(2)18-31)15-14-21-6-4-8-25-22(21)12-13-27(32)29(25)3/h4-13,20H,14-18H2,1-3H3/t20-/m0/s1
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5.01E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide in human ERG expressed in CHO cells by proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional regulator ERG


(Homo sapiens)
BDBM50417425
PNG
(CHEMBL1289510)
Show SMILES C[C@H]1CN(CCN1CCc1cccc2n(C)c(=O)ccc12)c1cc(F)cc2nc(C)ccc12
Show InChI InChI=1S/C27H29FN4O/c1-18-7-8-23-24(29-18)15-21(28)16-26(23)32-14-13-31(19(2)17-32)12-11-20-5-4-6-25-22(20)9-10-27(33)30(25)3/h4-10,15-16,19H,11-14,17H2,1-3H3/t19-/m0/s1
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6.31E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide in human ERG expressed in CHO cells by proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional regulator ERG


(Homo sapiens)
BDBM50417415
PNG
(CHEMBL1289277)
Show SMILES C[C@@H]1CN(CCN1CCc1c(C)ccc2n(C)c(=O)ccc12)c1cccc2nc(C)ccc12
Show InChI InChI=1S/C28H32N4O/c1-19-8-12-26-23(11-13-28(33)30(26)4)22(19)14-15-31-16-17-32(18-21(31)3)27-7-5-6-25-24(27)10-9-20(2)29-25/h5-13,21H,14-18H2,1-4H3/t21-/m1/s1
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7.94E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide in human ERG expressed in CHO cells by proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional regulator ERG


(Homo sapiens)
BDBM50417427
PNG
(CHEMBL1290716)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3n(C)c(=O)ccc23)CC1
Show InChI InChI=1S/C26H28N4O/c1-19-9-10-22-23(27-19)6-4-8-25(22)30-17-15-29(16-18-30)14-13-20-5-3-7-24-21(20)11-12-26(31)28(24)2/h3-12H,13-18H2,1-2H3
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1.00E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide in human ERG expressed in CHO cells by proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional regulator ERG


(Homo sapiens)
BDBM50417424
PNG
(CHEMBL1289394)
Show SMILES C[C@@H]1CN(CCN1CCc1cccc2n(C)c(=O)ccc12)c1cc(F)cc2nc(C)ccc12
Show InChI InChI=1S/C27H29FN4O/c1-18-7-8-23-24(29-18)15-21(28)16-26(23)32-14-13-31(19(2)17-32)12-11-20-5-4-6-25-22(20)9-10-27(33)30(25)3/h4-10,15-16,19H,11-14,17H2,1-3H3/t19-/m1/s1
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1.00E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide in human ERG expressed in CHO cells by proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional regulator ERG


(Homo sapiens)
BDBM50417412
PNG
(CHEMBL1289047)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2c(C)ccc3[nH]c(=O)ccc23)CC1
Show InChI InChI=1S/C26H28N4O/c1-18-6-10-24-21(9-11-26(31)28-24)20(18)12-13-29-14-16-30(17-15-29)25-5-3-4-23-22(25)8-7-19(2)27-23/h3-11H,12-17H2,1-2H3,(H,28,31)
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2.51E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide in human ERG expressed in CHO cells by proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional regulator ERG


(Homo sapiens)
BDBM50417411
PNG
(CHEMBL1290715)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3[nH]c(=O)ccc23)CC1
Show InChI InChI=1S/C25H26N4O/c1-18-8-9-21-23(26-18)6-3-7-24(21)29-16-14-28(15-17-29)13-12-19-4-2-5-22-20(19)10-11-25(30)27-22/h2-11H,12-17H2,1H3,(H,27,30)
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>3.16E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide in human ERG expressed in CHO cells by proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional regulator ERG


(Homo sapiens)
BDBM50417413
PNG
(CHEMBL1289163)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2c(F)ccc3n(C)c(=O)ccc23)CC1
Show InChI InChI=1S/C26H27FN4O/c1-18-6-7-21-23(28-18)4-3-5-25(21)31-16-14-30(15-17-31)13-12-19-20-8-11-26(32)29(2)24(20)10-9-22(19)27/h3-11H,12-17H2,1-2H3
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3.16E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide in human ERG expressed in CHO cells by proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional regulator ERG


(Homo sapiens)
BDBM50003336
PNG
(CHEMBL3234565)
Show SMILES CN1CCN(CC1)c1cc(nc(n1)N1CCC[C@H](C1)C(=O)NCCc1ccc(cc1)C#N)C(F)(F)F
Show InChI InChI=1S/C25H30F3N7O/c1-33-11-13-34(14-12-33)22-15-21(25(26,27)28)31-24(32-22)35-10-2-3-20(17-35)23(36)30-9-8-18-4-6-19(16-29)7-5-18/h4-7,15,20H,2-3,8-14,17H2,1H3,(H,30,36)/t20-/m1/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp method


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional regulator ERG


(Homo sapiens)
BDBM50003076
PNG
(CHEMBL3234574)
Show SMILES CN1CCN(CC1)c1cc(nc(n1)C(F)(F)F)N1CCCC[C@H]1C(=O)NCCc1ccc(cc1)C#N
Show InChI InChI=1S/C25H30F3N7O/c1-33-12-14-34(15-13-33)21-16-22(32-24(31-21)25(26,27)28)35-11-3-2-4-20(35)23(36)30-10-9-18-5-7-19(17-29)8-6-18/h5-8,16,20H,2-4,9-15H2,1H3,(H,30,36)/t20-/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp method


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional regulator ERG


(Homo sapiens)
BDBM50003334
PNG
(CHEMBL3234564)
Show SMILES CN1CCN(CC1)c1cc(C)nc(n1)N1CCC[C@H](C1)C(=O)NCCc1ccc(cc1)C#N
Show InChI InChI=1S/C25H33N7O/c1-19-16-23(31-14-12-30(2)13-15-31)29-25(28-19)32-11-3-4-22(18-32)24(33)27-10-9-20-5-7-21(17-26)8-6-20/h5-8,16,22H,3-4,9-15,18H2,1-2H3,(H,27,33)/t22-/m1/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp method


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional regulator ERG


(Homo sapiens)
BDBM50003407
PNG
(CHEMBL3234568)
Show SMILES CN1CCN(CC1)c1cc(nc(n1)C(F)(F)F)N1CCC[C@H](C1)C(=O)NCCc1ccc(cc1)C#N
Show InChI InChI=1S/C25H30F3N7O/c1-33-11-13-34(14-12-33)21-15-22(32-24(31-21)25(26,27)28)35-10-2-3-20(17-35)23(36)30-9-8-18-4-6-19(16-29)7-5-18/h4-7,15,20H,2-3,8-14,17H2,1H3,(H,30,36)/t20-/m1/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp method


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional regulator ERG


(Homo sapiens)
BDBM50003477
PNG
(CHEMBL3234569)
Show SMILES FC(F)(F)c1nc(cc(n1)N1CCC[C@H](C1)C(=O)NCCc1ccc(cc1)C#N)N1CCNCC1
Show InChI InChI=1S/C24H28F3N7O/c25-24(26,27)23-31-20(33-12-9-29-10-13-33)14-21(32-23)34-11-1-2-19(16-34)22(35)30-8-7-17-3-5-18(15-28)6-4-17/h3-6,14,19,29H,1-2,7-13,16H2,(H,30,35)/t19-/m1/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp method


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional regulator ERG


(Homo sapiens)
BDBM50003286
PNG
(CHEMBL3234576)
Show SMILES CN1CCN(CC1)c1cc(nc(n1)C(F)(F)F)N1CCC[C@@H]1C(=O)NCCc1ccc(cc1)C#N
Show InChI InChI=1S/C24H28F3N7O/c1-32-11-13-33(14-12-32)20-15-21(31-23(30-20)24(25,26)27)34-10-2-3-19(34)22(35)29-9-8-17-4-6-18(16-28)7-5-17/h4-7,15,19H,2-3,8-14H2,1H3,(H,29,35)/t19-/m1/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp method


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional regulator ERG


(Homo sapiens)
BDBM50003289
PNG
(CHEMBL3234578)
Show SMILES CN1CCN(CC1)c1cc(nc(n1)C(F)(F)F)N1CC[C@@H]1C(=O)NCCc1ccc(cc1)C#N
Show InChI InChI=1S/C23H26F3N7O/c1-31-10-12-32(13-11-31)19-14-20(30-22(29-19)23(24,25)26)33-9-7-18(33)21(34)28-8-6-16-2-4-17(15-27)5-3-16/h2-5,14,18H,6-13H2,1H3,(H,28,34)/t18-/m1/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp method


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional regulator ERG


(Homo sapiens)
BDBM50003287
PNG
(CHEMBL3234577)
Show SMILES CN1CCN(CC1)c1cc(nc(n1)C(F)(F)F)N1CC[C@H]1C(=O)NCCc1ccc(cc1)C#N
Show InChI InChI=1S/C23H26F3N7O/c1-31-10-12-32(13-11-31)19-14-20(30-22(29-19)23(24,25)26)33-9-7-18(33)21(34)28-8-6-16-2-4-17(15-27)5-3-16/h2-5,14,18H,6-13H2,1H3,(H,28,34)/t18-/m0/s1
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n/an/a 9.80E+3n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp method


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional regulator ERG


(Homo sapiens)
BDBM50352421
PNG
(CHEMBL1823591)
Show SMILES Clc1ccccc1NC(=O)N1CCN(CC1)c1nc(no1)-c1ccc2ccccc2n1
Show InChI InChI=1S/C22H19ClN6O2/c23-16-6-2-4-8-18(16)25-21(30)28-11-13-29(14-12-28)22-26-20(27-31-22)19-10-9-15-5-1-3-7-17(15)24-19/h1-10H,11-14H2,(H,25,30)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Merck Research Laboratories Rome

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional regulator ERG


(Homo sapiens)
BDBM50003283
PNG
(CHEMBL3234575)
Show SMILES CN1CCN(CC1)c1cc(nc(n1)C(F)(F)F)N1CCC[C@H]1C(=O)NCCc1ccc(cc1)C#N
Show InChI InChI=1S/C24H28F3N7O/c1-32-11-13-33(14-12-32)20-15-21(31-23(30-20)24(25,26)27)34-10-2-3-19(34)22(35)29-9-8-17-4-6-18(16-28)7-5-17/h4-7,15,19H,2-3,8-14H2,1H3,(H,29,35)/t19-/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp method


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional regulator ERG


(Homo sapiens)
BDBM50420920
PNG
(CHEMBL2087549 | CHEMBL2087567)
Show SMILES CCc1nn2c(cccc2c1N(CC1CC1)CC1CCOCC1)-c1c(OC)cc(COC)cc1OC
Show InChI InChI=1S/C29H39N3O4/c1-5-23-29(31(17-20-9-10-20)18-21-11-13-36-14-12-21)25-8-6-7-24(32(25)30-23)28-26(34-3)15-22(19-33-2)16-27(28)35-4/h6-8,15-16,20-21H,5,9-14,17-19H2,1-4H3
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n/an/a 1.63E+4n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional regulator ERG


(Homo sapiens)
BDBM50003563
PNG
(CHEMBL3234573)
Show SMILES CCN1CCN(CC1)c1cc(nc(n1)C(F)(F)F)N1CCC[C@H](C1)C(=O)NCCc1cnc(nc1)C#N
Show InChI InChI=1S/C24H30F3N9O/c1-2-34-8-10-35(11-9-34)20-12-21(33-23(32-20)24(25,26)27)36-7-3-4-18(16-36)22(37)29-6-5-17-14-30-19(13-28)31-15-17/h12,14-15,18H,2-11,16H2,1H3,(H,29,37)/t18-/m1/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp method


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional regulator ERG


(Homo sapiens)
BDBM50003562
PNG
(CHEMBL3234572)
Show SMILES FC(F)(F)c1nc(cc(n1)N1CCC[C@H](C1)C(=O)NCCc1ccc(nc1)C#N)N1CCNCC1
Show InChI InChI=1S/C23H27F3N8O/c24-23(25,26)22-31-19(33-10-7-28-8-11-33)12-20(32-22)34-9-1-2-17(15-34)21(35)29-6-5-16-3-4-18(13-27)30-14-16/h3-4,12,14,17,28H,1-2,5-11,15H2,(H,29,35)/t17-/m1/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp method


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional regulator ERG


(Homo sapiens)
BDBM50003561
PNG
(CHEMBL3234571)
Show SMILES CN1CCN(CC1)c1cc(nc(n1)C(F)(F)F)N1CCC[C@H](C1)C(=O)NCCc1ccc(nc1)C#N
Show InChI InChI=1S/C24H29F3N8O/c1-33-9-11-34(12-10-33)20-13-21(32-23(31-20)24(25,26)27)35-8-2-3-18(16-35)22(36)29-7-6-17-4-5-19(14-28)30-15-17/h4-5,13,15,18H,2-3,6-12,16H2,1H3,(H,29,36)/t18-/m1/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp method


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional regulator ERG


(Homo sapiens)
BDBM50003559
PNG
(CHEMBL3234570)
Show SMILES FC(F)(F)c1nc(cc(n1)N1CCC[C@H](C1)C(=O)NCCc1ccc(cc1)C#N)N1CCN(CC1)C1COC1
Show InChI InChI=1S/C27H32F3N7O2/c28-27(29,30)26-33-23(36-12-10-35(11-13-36)22-17-39-18-22)14-24(34-26)37-9-1-2-21(16-37)25(38)32-8-7-19-3-5-20(15-31)6-4-19/h3-6,14,21-22H,1-2,7-13,16-18H2,(H,32,38)/t21-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp method


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional regulator ERG


(Homo sapiens)
BDBM50352296
PNG
(CHEMBL1822468)
Show SMILES FC1(F)CCC(CC1)NC(=O)N1CCN(CC1)c1nc(no1)-c1ccc2ccccc2n1
Show InChI InChI=1S/C22H24F2N6O2/c23-22(24)9-7-16(8-10-22)25-20(31)29-11-13-30(14-12-29)21-27-19(28-32-21)18-6-5-15-3-1-2-4-17(15)26-18/h1-6,16H,7-14H2,(H,25,31)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories Rome

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional regulator ERG


(Homo sapiens)
BDBM50352420
PNG
(CHEMBL1823865)
Show SMILES O=C(NC1CCCCC1)N1CCN(CC1)c1nc(no1)-c1ccc2ccccc2n1
Show InChI InChI=1S/C22H26N6O2/c29-21(23-17-7-2-1-3-8-17)27-12-14-28(15-13-27)22-25-20(26-30-22)19-11-10-16-6-4-5-9-18(16)24-19/h4-6,9-11,17H,1-3,7-8,12-15H2,(H,23,29)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories Rome

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional regulator ERG


(Homo sapiens)
BDBM50003291
PNG
(CHEMBL3234579)
Show SMILES CCN1CCN(CC1)c1cc(nc(n1)C(F)(F)F)N1CC[C@H]1C(=O)NCCc1ccc(nc1)C#N
Show InChI InChI=1S/C23H27F3N8O/c1-2-32-9-11-33(12-10-32)19-13-20(31-22(30-19)23(24,25)26)34-8-6-18(34)21(35)28-7-5-16-3-4-17(14-27)29-15-16/h3-4,13,15,18H,2,5-12H2,1H3,(H,28,35)/t18-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp method


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional regulator ERG


(Homo sapiens)
BDBM50003573
PNG
(CHEMBL3234871)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1cc(nc(n1)C(F)(F)F)N1CC[C@H]1C(=O)NCCc1ccc(cc1)C#N
Show InChI InChI=1S/C31H30F3N5O3/c32-31(33,34)30-37-25(23-9-5-21(6-10-23)22-7-11-24(12-8-22)29(41)42)17-27(38-30)39-16-14-26(39)28(40)36-15-13-19-1-3-20(18-35)4-2-19/h1-6,9-10,17,22,24,26H,7-8,11-16H2,(H,36,40)(H,41,42)/t22-,24-,26-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp method


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional regulator ERG


(Homo sapiens)
BDBM50352422
PNG
(CHEMBL1823616)
Show SMILES Cn1c(nc2ccccc12)-c1noc(n1)C1CCN(CC1)C(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C22H21ClN6O2/c1-28-18-9-5-4-8-17(18)24-20(28)19-26-21(31-27-19)14-10-12-29(13-11-14)22(30)25-16-7-3-2-6-15(16)23/h2-9,14H,10-13H2,1H3,(H,25,30)
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n/an/a 3.20E+4n/an/an/an/an/an/a



Merck Research Laboratories Rome

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional regulator ERG


(Homo sapiens)
BDBM50395256
PNG
(CHEMBL2163587)
Show SMILES COc1cccc2c3CN(CCc3[nH]c12)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C24H28N4O3/c1-31-20-8-4-7-15-18-13-28(12-9-19(18)26-21(15)20)23(30)17-6-3-2-5-16(17)22(29)27-24(14-25)10-11-24/h4,7-8,16-17,26H,2-3,5-6,9-13H2,1H3,(H,27,29)/t16-,17-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition at human ERG by ion works screening assay


Citation and Details
More data for this
Ligand-Target Pair
Transcriptional regulator ERG


(Homo sapiens)
BDBM50379275
PNG
(CHEMBL2011500)
Show SMILES COc1ccc(cc1)C(=O)CC1(O)C(=O)Nc2c1c(Cl)ccc2Cl
Show InChI InChI=1S/C17H13Cl2NO4/c1-24-10-4-2-9(3-5-10)13(21)8-17(23)14-11(18)6-7-12(19)15(14)20-16(17)22/h2-7,23H,8H2,1H3,(H,20,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/a 1.17E+4n/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Binding affinity to ERG by surface plasmon resonance


Citation and Details
More data for this
Ligand-Target Pair