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Compile Data Set for Download or QSAR

Found 217 hits with Last Name = 'larouche' and Initial = 'g'   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50359178
PNG
(CHEMBL1923115)
Show SMILES Fc1cc2CO[C@@]3(CCNC[C@@H]3C(=O)N(Cc3cc(Cl)ccc3Cl)C3CC3)c2cc1F |r|
Show InChI InChI=1S/C23H22Cl2F2N2O2/c24-15-1-4-19(25)13(7-15)11-29(16-2-3-16)22(30)18-10-28-6-5-23(18)17-9-21(27)20(26)8-14(17)12-31-23/h1,4,7-9,16,18,28H,2-3,5-6,10-12H2/t18-,23+/m1/s1
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1.80E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50355542
PNG
(CHEMBL1910286)
Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccccc2)cc(OCCOC)c1 |r|
Show InChI InChI=1S/C29H40N2O5/c1-34-14-6-7-22-17-23(19-26(18-22)36-16-15-35-2)21-31(25-10-11-25)28(32)27-20-30-13-12-29(27,33)24-8-4-3-5-9-24/h3-5,8-9,17-19,25,27,30,33H,6-7,10-16,20-21H2,1-2H3/t27-,29+/m1/s1
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5.00E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50359183
PNG
(CHEMBL1923120)
Show SMILES Fc1cc2CO[C@@]3(CCNC[C@@H]3C(=O)N(Cc3cccc4ccccc34)C3CC3)c2cc1F |r|
Show InChI InChI=1S/C27H26F2N2O2/c28-24-12-19-16-33-27(22(19)13-25(24)29)10-11-30-14-23(27)26(32)31(20-8-9-20)15-18-6-3-5-17-4-1-2-7-21(17)18/h1-7,12-13,20,23,30H,8-11,14-16H2/t23-,27+/m1/s1
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5.70E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50359180
PNG
(CHEMBL1923117)
Show SMILES Cc1c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)cccc1C(F)(F)F |r|
Show InChI InChI=1S/C25H25F5N2O2/c1-14-15(3-2-4-18(14)25(28,29)30)12-32(17-5-6-17)23(33)20-11-31-8-7-24(20)19-10-22(27)21(26)9-16(19)13-34-24/h2-4,9-10,17,20,31H,5-8,11-13H2,1H3/t20-,24+/m1/s1
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6.40E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50359172
PNG
(CHEMBL1923109)
Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OC=Cc3ccccc23)cc(OCCOC)c1 |r,c:24|
Show InChI InChI=1S/C31H40N2O5/c1-35-14-5-6-23-18-24(20-27(19-23)37-17-16-36-2)22-33(26-9-10-26)30(34)29-21-32-13-12-31(29)28-8-4-3-7-25(28)11-15-38-31/h3-4,7-8,11,15,18-20,26,29,32H,5-6,9-10,12-14,16-17,21-22H2,1-2H3/t29-,31+/m1/s1
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7.00E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50359185
PNG
(CHEMBL1923122)
Show SMILES COCCCc1cccc2cccc(CN(C3CC3)C(=O)[C@H]3CNCC[C@@]33OCc4cc(F)c(F)cc34)c12 |r|
Show InChI InChI=1S/C31H34F2N2O3/c1-37-14-4-9-21-6-2-5-20-7-3-8-22(29(20)21)18-35(24-10-11-24)30(36)26-17-34-13-12-31(26)25-16-28(33)27(32)15-23(25)19-38-31/h2-3,5-8,15-16,24,26,34H,4,9-14,17-19H2,1H3/t26-,31+/m1/s1
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7.60E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50359194
PNG
(CHEMBL1923131)
Show SMILES COCCCc1cc(CCCN2CCS(=O)(=O)CC2)c(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1 |r|
Show InChI InChI=1S/C34H44ClF2N3O5S/c1-44-13-3-4-23-16-24(5-2-10-39-11-14-46(42,43)15-12-39)32(35)25(17-23)21-40(27-6-7-27)33(41)29-20-38-9-8-34(29)28-19-31(37)30(36)18-26(28)22-45-34/h16-19,27,29,38H,2-15,20-22H2,1H3/t29-,34+/m1/s1
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7.70E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50359192
PNG
(CHEMBL1923129)
Show SMILES COCCCc1cc(CCCCNS(C)(=O)=O)c(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1 |r|
Show InChI InChI=1S/C32H42ClF2N3O5S/c1-42-13-5-6-21-14-22(7-3-4-11-37-44(2,40)41)30(33)23(15-21)19-38(25-8-9-25)31(39)27-18-36-12-10-32(27)26-17-29(35)28(34)16-24(26)20-43-32/h14-17,25,27,36-37H,3-13,18-20H2,1-2H3/t27-,32+/m1/s1
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8.20E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50359177
PNG
(CHEMBL1923114)
Show SMILES Fc1cc2CO[C@@]3(CCNC[C@@H]3C(=O)N(Cc3ccc(Cl)cc3Cl)C3CC3)c2cc1F |r|
Show InChI InChI=1S/C23H22Cl2F2N2O2/c24-15-2-1-13(19(25)8-15)11-29(16-3-4-16)22(30)18-10-28-6-5-23(18)17-9-21(27)20(26)7-14(17)12-31-23/h1-2,7-9,16,18,28H,3-6,10-12H2/t18-,23+/m1/s1
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9.30E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50359182
PNG
(CHEMBL1923119)
Show SMILES COCCCc1cc(C)c(C)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1 |r|
Show InChI InChI=1S/C29H36F2N2O3/c1-18-11-20(5-4-10-35-3)12-21(19(18)2)16-33(23-6-7-23)28(34)25-15-32-9-8-29(25)24-14-27(31)26(30)13-22(24)17-36-29/h11-14,23,25,32H,4-10,15-17H2,1-3H3/t25-,29+/m1/s1
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1.00E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50359176
PNG
(CHEMBL1923113)
Show SMILES Fc1cc2CO[C@@]3(CCNC[C@@H]3C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)c2cc1F |r|
Show InChI InChI=1S/C23H22Cl2F2N2O2/c24-18-3-1-2-13(21(18)25)11-29(15-4-5-15)22(30)17-10-28-7-6-23(17)16-9-20(27)19(26)8-14(16)12-31-23/h1-3,8-9,15,17,28H,4-7,10-12H2/t17-,23+/m1/s1
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1.10E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50359181
PNG
(CHEMBL1923118)
Show SMILES Fc1cc2CO[C@@]3(CCNC[C@@H]3C(=O)N(Cc3cccc(c3Cl)C(F)(F)F)C3CC3)c2cc1F |r|
Show InChI InChI=1S/C24H22ClF5N2O2/c25-21-13(2-1-3-16(21)24(28,29)30)11-32(15-4-5-15)22(33)18-10-31-7-6-23(18)17-9-20(27)19(26)8-14(17)12-34-23/h1-3,8-9,15,18,31H,4-7,10-12H2/t18-,23+/m1/s1
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1.20E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50359191
PNG
(CHEMBL1923128)
Show SMILES CCN(CC)CCCc1cc(CCCOC)cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1Cl |r|
Show InChI InChI=1S/C34H46ClF2N3O3/c1-4-39(5-2)14-6-9-24-16-23(8-7-15-42-3)17-25(32(24)35)21-40(27-10-11-27)33(41)29-20-38-13-12-34(29)28-19-31(37)30(36)18-26(28)22-43-34/h16-19,27,29,38H,4-15,20-22H2,1-3H3/t29-,34+/m1/s1
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1.20E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50359184
PNG
(CHEMBL1923121)
Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c2ccccc2c1 |r|
Show InChI InChI=1S/C31H34F2N2O3/c1-37-12-4-5-20-13-21-6-2-3-7-25(21)22(14-20)18-35(24-8-9-24)30(36)27-17-34-11-10-31(27)26-16-29(33)28(32)15-23(26)19-38-31/h2-3,6-7,13-16,24,27,34H,4-5,8-12,17-19H2,1H3/t27-,31+/m1/s1
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1.20E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50359189
PNG
(CHEMBL1923126)
Show SMILES Fc1cc2C(=O)O[C@@]3(CCNC[C@@H]3C(=O)N(Cc3cccc(c3Cl)C(F)(F)F)C3CC3)c2cc1F |r|
Show InChI InChI=1S/C24H20ClF5N2O3/c25-20-12(2-1-3-15(20)24(28,29)30)11-32(13-4-5-13)21(33)17-10-31-7-6-23(17)16-9-19(27)18(26)8-14(16)22(34)35-23/h1-3,8-9,13,17,31H,4-7,10-11H2/t17-,23+/m1/s1
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1.30E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50359170
PNG
(CHEMBL1923107)
Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OC(=O)c3ccccc23)cc(OCCOC)c1 |r|
Show InChI InChI=1S/C30H38N2O6/c1-35-13-5-6-21-16-22(18-24(17-21)37-15-14-36-2)20-32(23-9-10-23)28(33)27-19-31-12-11-30(27)26-8-4-3-7-25(26)29(34)38-30/h3-4,7-8,16-18,23,27,31H,5-6,9-15,19-20H2,1-2H3/t27-,30+/m1/s1
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1.90E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50359169
PNG
(CHEMBL1923106)
Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3ccccc23)cc(OCCOC)c1 |r|
Show InChI InChI=1S/C30H40N2O5/c1-34-13-5-6-22-16-23(18-26(17-22)36-15-14-35-2)20-32(25-9-10-25)29(33)28-19-31-12-11-30(28)27-8-4-3-7-24(27)21-37-30/h3-4,7-8,16-18,25,28,31H,5-6,9-15,19-21H2,1-2H3/t28-,30+/m1/s1
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2.00E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50359175
PNG
(CHEMBL1923112)
Show SMILES Fc1cc2CO[C@@]3(CCNC[C@@H]3C(=O)N(Cc3ccccc3Cl)C3CC3)c2cc1F |r|
Show InChI InChI=1S/C23H23ClF2N2O2/c24-19-4-2-1-3-14(19)12-28(16-5-6-16)22(29)18-11-27-8-7-23(18)17-10-21(26)20(25)9-15(17)13-30-23/h1-4,9-10,16,18,27H,5-8,11-13H2/t18-,23+/m1/s1
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2.00E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50359193
PNG
(CHEMBL1923130)
Show SMILES COCCCc1cc(CCCNS(C)(=O)=O)c(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1 |r|
Show InChI InChI=1S/C31H40ClF2N3O5S/c1-41-12-4-5-20-13-21(6-3-10-36-43(2,39)40)29(32)22(14-20)18-37(24-7-8-24)30(38)26-17-35-11-9-31(26)25-16-28(34)27(33)15-23(25)19-42-31/h13-16,24,26,35-36H,3-12,17-19H2,1-2H3/t26-,31+/m1/s1
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2.20E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50359190
PNG
(CHEMBL1923127)
Show SMILES COCCCc1cc(CCCN2CCOCC2)c(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1 |r|
Show InChI InChI=1S/C34H44ClF2N3O4/c1-42-13-3-4-23-16-24(5-2-10-39-11-14-43-15-12-39)32(35)25(17-23)21-40(27-6-7-27)33(41)29-20-38-9-8-34(29)28-19-31(37)30(36)18-26(28)22-44-34/h16-19,27,29,38H,2-15,20-22H2,1H3/t29-,34+/m1/s1
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2.30E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50359171
PNG
(CHEMBL1923108)
Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCCc3ccccc23)cc(OCCOC)c1 |r|
Show InChI InChI=1S/C31H42N2O5/c1-35-14-5-6-23-18-24(20-27(19-23)37-17-16-36-2)22-33(26-9-10-26)30(34)29-21-32-13-12-31(29)28-8-4-3-7-25(28)11-15-38-31/h3-4,7-8,18-20,26,29,32H,5-6,9-17,21-22H2,1-2H3/t29-,31+/m1/s1
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2.40E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50359174
PNG
(CHEMBL1923111)
Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)cc(OCCOC)c1 |r|
Show InChI InChI=1S/C30H38F2N2O5/c1-36-9-3-4-20-12-21(14-24(13-20)38-11-10-37-2)18-34(23-5-6-23)29(35)26-17-33-8-7-30(26)25-16-28(32)27(31)15-22(25)19-39-30/h12-16,23,26,33H,3-11,17-19H2,1-2H3/t26-,30+/m1/s1
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2.40E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50359179
PNG
(CHEMBL1923116)
Show SMILES Cc1cccc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1C |r|
Show InChI InChI=1S/C25H28F2N2O2/c1-15-4-3-5-17(16(15)2)13-29(19-6-7-19)24(30)21-12-28-9-8-25(21)20-11-23(27)22(26)10-18(20)14-31-25/h3-5,10-11,19,21,28H,6-9,12-14H2,1-2H3/t21-,25+/m1/s1
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2.70E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50359188
PNG
(CHEMBL1923125)
Show SMILES Fc1cc2CO[C@@]3(CCNC[C@@H]3C(=O)N(Cc3cccc4cccnc34)C3CC3)c2cc1F |r|
Show InChI InChI=1S/C26H25F2N3O2/c27-22-11-18-15-33-26(20(18)12-23(22)28)8-10-29-13-21(26)25(32)31(19-6-7-19)14-17-4-1-3-16-5-2-9-30-24(16)17/h1-5,9,11-12,19,21,29H,6-8,10,13-15H2/t21-,26+/m1/s1
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2.90E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50359173
PNG
(CHEMBL1923110)
Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OC(=O)Cc3ccccc23)cc(OCCOC)c1 |r|
Show InChI InChI=1S/C31H40N2O6/c1-36-13-5-6-22-16-23(18-26(17-22)38-15-14-37-2)21-33(25-9-10-25)30(35)28-20-32-12-11-31(28)27-8-4-3-7-24(27)19-29(34)39-31/h3-4,7-8,16-18,25,28,32H,5-6,9-15,19-21H2,1-2H3/t28-,31+/m1/s1
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4.30E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50359195
PNG
(CHEMBL1923132)
Show SMILES COCCCc1cc(CCC(=O)N2CCOCC2)c(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1 |r|
Show InChI InChI=1S/C34H42ClF2N3O5/c1-43-12-2-3-22-15-23(4-7-31(41)39-10-13-44-14-11-39)32(35)24(16-22)20-40(26-5-6-26)33(42)28-19-38-9-8-34(28)27-18-30(37)29(36)17-25(27)21-45-34/h15-18,26,28,38H,2-14,19-21H2,1H3/t28-,34+/m1/s1
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4.70E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50359187
PNG
(CHEMBL1923124)
Show SMILES Fc1cc2CO[C@@]3(CCNC[C@@H]3C(=O)N(Cc3ccnc4ccccc34)C3CC3)c2cc1F |r|
Show InChI InChI=1S/C26H25F2N3O2/c27-22-11-17-15-33-26(20(17)12-23(22)28)8-10-29-13-21(26)25(32)31(18-5-6-18)14-16-7-9-30-24-4-2-1-3-19(16)24/h1-4,7,9,11-12,18,21,29H,5-6,8,10,13-15H2/t21-,26+/m1/s1
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5.50E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50359186
PNG
(CHEMBL1923123)
Show SMILES Fc1cc2CO[C@@]3(CCNC[C@@H]3C(=O)N(Cc3nccc4ccccc34)C3CC3)c2cc1F |r|
Show InChI InChI=1S/C26H25F2N3O2/c27-22-11-17-15-33-26(20(17)12-23(22)28)8-10-29-13-21(26)25(32)31(18-5-6-18)14-24-19-4-2-1-3-16(19)7-9-30-24/h1-4,7,9,11-12,18,21,29H,5-6,8,10,13-15H2/t21-,26+/m1/s1
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>6.00E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50359194
PNG
(CHEMBL1923131)
Show SMILES COCCCc1cc(CCCN2CCS(=O)(=O)CC2)c(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1 |r|
Show InChI InChI=1S/C34H44ClF2N3O5S/c1-44-13-3-4-23-16-24(5-2-10-39-11-14-46(42,43)15-12-39)32(35)25(17-23)21-40(27-6-7-27)33(41)29-20-38-9-8-34(29)28-19-31(37)30(36)18-26(28)22-45-34/h16-19,27,29,38H,2-15,20-22H2,1H3/t29-,34+/m1/s1
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n/an/a 0.0500n/an/an/an/a7.4n/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin using 9 DNP-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-D,L-Amp as substrate after 3 hrs by Q-FRET assay in presence of...


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50359190
PNG
(CHEMBL1923127)
Show SMILES COCCCc1cc(CCCN2CCOCC2)c(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1 |r|
Show InChI InChI=1S/C34H44ClF2N3O4/c1-42-13-3-4-23-16-24(5-2-10-39-11-14-43-15-12-39)32(35)25(17-23)21-40(27-6-7-27)33(41)29-20-38-9-8-34(29)28-19-31(37)30(36)18-26(28)22-44-34/h16-19,27,29,38H,2-15,20-22H2,1H3/t29-,34+/m1/s1
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n/an/a 0.0700n/an/an/an/a7.4n/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin using 9 DNP-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-D,L-Amp as substrate after 3 hrs by Q-FRET assay in presence of...


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50359192
PNG
(CHEMBL1923129)
Show SMILES COCCCc1cc(CCCCNS(C)(=O)=O)c(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1 |r|
Show InChI InChI=1S/C32H42ClF2N3O5S/c1-42-13-5-6-21-14-22(7-3-4-11-37-44(2,40)41)30(33)23(15-21)19-38(25-8-9-25)31(39)27-18-36-12-10-32(27)26-17-29(35)28(34)16-24(26)20-43-32/h14-17,25,27,36-37H,3-13,18-20H2,1-2H3/t27-,32+/m1/s1
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n/an/a 0.0800n/an/an/an/a7.4n/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin using 9 DNP-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-D,L-Amp as substrate after 3 hrs by Q-FRET assay in presence of...


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50359184
PNG
(CHEMBL1923121)
Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c2ccccc2c1 |r|
Show InChI InChI=1S/C31H34F2N2O3/c1-37-12-4-5-20-13-21-6-2-3-7-25(21)22(14-20)18-35(24-8-9-24)30(36)27-17-34-11-10-31(27)26-16-29(33)28(32)15-23(26)19-38-31/h2-3,6-7,13-16,24,27,34H,4-5,8-12,17-19H2,1H3/t27-,31+/m1/s1
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n/an/a 0.0900n/an/an/an/a7.4n/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin using 9 DNP-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-D,L-Amp as substrate after 3 hrs by Q-FRET assay in presence of...


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50359193
PNG
(CHEMBL1923130)
Show SMILES COCCCc1cc(CCCNS(C)(=O)=O)c(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1 |r|
Show InChI InChI=1S/C31H40ClF2N3O5S/c1-41-12-4-5-20-13-21(6-3-10-36-43(2,39)40)29(32)22(14-20)18-37(24-7-8-24)30(38)26-17-35-11-9-31(26)25-16-28(34)27(33)15-23(25)19-42-31/h13-16,24,26,35-36H,3-12,17-19H2,1-2H3/t26-,31+/m1/s1
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n/an/a 0.100n/an/an/an/a7.4n/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin using 9 DNP-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-D,L-Amp as substrate after 3 hrs by Q-FRET assay in presence of...


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50359179
PNG
(CHEMBL1923116)
Show SMILES Cc1cccc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1C |r|
Show InChI InChI=1S/C25H28F2N2O2/c1-15-4-3-5-17(16(15)2)13-29(19-6-7-19)24(30)21-12-28-9-8-25(21)20-11-23(27)22(26)10-18(20)14-31-25/h3-5,10-11,19,21,28H,6-9,12-14H2,1-2H3/t21-,25+/m1/s1
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n/an/a 0.110n/an/an/an/a7.4n/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin using 9 DNP-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-D,L-Amp as substrate after 3 hrs by Q-FRET assay in presence of...


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50359183
PNG
(CHEMBL1923120)
Show SMILES Fc1cc2CO[C@@]3(CCNC[C@@H]3C(=O)N(Cc3cccc4ccccc34)C3CC3)c2cc1F |r|
Show InChI InChI=1S/C27H26F2N2O2/c28-24-12-19-16-33-27(22(19)13-25(24)29)10-11-30-14-23(27)26(32)31(20-8-9-20)15-18-6-3-5-17-4-1-2-7-21(17)18/h1-7,12-13,20,23,30H,8-11,14-16H2/t23-,27+/m1/s1
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n/an/a 0.160n/an/an/an/a7.4n/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin using 9 DNP-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-D,L-Amp as substrate after 3 hrs by Q-FRET assay in presence of...


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50359182
PNG
(CHEMBL1923119)
Show SMILES COCCCc1cc(C)c(C)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1 |r|
Show InChI InChI=1S/C29H36F2N2O3/c1-18-11-20(5-4-10-35-3)12-21(19(18)2)16-33(23-6-7-23)28(34)25-15-32-9-8-29(25)24-14-27(31)26(30)13-22(24)17-36-29/h11-14,23,25,32H,4-10,15-17H2,1-3H3/t25-,29+/m1/s1
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n/an/a 0.180n/an/an/an/a7.4n/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin using 9 DNP-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-D,L-Amp as substrate after 3 hrs by Q-FRET assay in presence of...


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50359176
PNG
(CHEMBL1923113)
Show SMILES Fc1cc2CO[C@@]3(CCNC[C@@H]3C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)c2cc1F |r|
Show InChI InChI=1S/C23H22Cl2F2N2O2/c24-18-3-1-2-13(21(18)25)11-29(15-4-5-15)22(30)17-10-28-7-6-23(17)16-9-20(27)19(26)8-14(16)12-31-23/h1-3,8-9,15,17,28H,4-7,10-12H2/t17-,23+/m1/s1
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin using 9 DNP-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-D,L-Amp as substrate after 3 hrs by Q-FRET assay in presence of...


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50359193
PNG
(CHEMBL1923130)
Show SMILES COCCCc1cc(CCCNS(C)(=O)=O)c(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1 |r|
Show InChI InChI=1S/C31H40ClF2N3O5S/c1-41-12-4-5-20-13-21(6-3-10-36-43(2,39)40)29(32)22(14-20)18-37(24-7-8-24)30(38)26-17-35-11-9-31(26)25-16-28(34)27(33)15-23(25)19-42-31/h13-16,24,26,35-36H,3-12,17-19H2,1-2H3/t26-,31+/m1/s1
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin in human plasma using QXL520-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-Lys-(5-FAM) as substrate preincubated for 10 m...


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50359191
PNG
(CHEMBL1923128)
Show SMILES CCN(CC)CCCc1cc(CCCOC)cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1Cl |r|
Show InChI InChI=1S/C34H46ClF2N3O3/c1-4-39(5-2)14-6-9-24-16-23(8-7-15-42-3)17-25(32(24)35)21-40(27-10-11-27)33(41)29-20-38-13-12-34(29)28-19-31(37)30(36)18-26(28)22-43-34/h16-19,27,29,38H,4-15,20-22H2,1-3H3/t29-,34+/m1/s1
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin using 9 DNP-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-D,L-Amp as substrate after 3 hrs by Q-FRET assay in presence of...


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50359180
PNG
(CHEMBL1923117)
Show SMILES Cc1c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)cccc1C(F)(F)F |r|
Show InChI InChI=1S/C25H25F5N2O2/c1-14-15(3-2-4-18(14)25(28,29)30)12-32(17-5-6-17)23(33)20-11-31-8-7-24(20)19-10-22(27)21(26)9-16(19)13-34-24/h2-4,9-10,17,20,31H,5-8,11-13H2,1H3/t20-,24+/m1/s1
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin using 9 DNP-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-D,L-Amp as substrate after 3 hrs by Q-FRET assay in presence of...


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50359192
PNG
(CHEMBL1923129)
Show SMILES COCCCc1cc(CCCCNS(C)(=O)=O)c(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1 |r|
Show InChI InChI=1S/C32H42ClF2N3O5S/c1-42-13-5-6-21-14-22(7-3-4-11-37-44(2,40)41)30(33)23(15-21)19-38(25-8-9-25)31(39)27-18-36-12-10-32(27)26-17-29(35)28(34)16-24(26)20-43-32/h14-17,25,27,36-37H,3-13,18-20H2,1-2H3/t27-,32+/m1/s1
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin in human plasma using QXL520-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-Lys-(5-FAM) as substrate preincubated for 10 m...


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50359190
PNG
(CHEMBL1923127)
Show SMILES COCCCc1cc(CCCN2CCOCC2)c(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1 |r|
Show InChI InChI=1S/C34H44ClF2N3O4/c1-42-13-3-4-23-16-24(5-2-10-39-11-14-43-15-12-39)32(35)25(17-23)21-40(27-6-7-27)33(41)29-20-38-9-8-34(29)28-19-31(37)30(36)18-26(28)22-44-34/h16-19,27,29,38H,2-15,20-22H2,1H3/t29-,34+/m1/s1
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin in human plasma using QXL520-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-Lys-(5-FAM) as substrate preincubated for 10 m...


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50359195
PNG
(CHEMBL1923132)
Show SMILES COCCCc1cc(CCC(=O)N2CCOCC2)c(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1 |r|
Show InChI InChI=1S/C34H42ClF2N3O5/c1-43-12-2-3-22-15-23(4-7-31(41)39-10-13-44-14-11-39)32(35)24(16-22)20-40(26-5-6-26)33(42)28-19-38-9-8-34(28)27-18-30(37)29(36)17-25(27)21-45-34/h15-18,26,28,38H,2-14,19-21H2,1H3/t28-,34+/m1/s1
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin using 9 DNP-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-D,L-Amp as substrate after 3 hrs by Q-FRET assay in presence of...


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50359179
PNG
(CHEMBL1923116)
Show SMILES Cc1cccc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1C |r|
Show InChI InChI=1S/C25H28F2N2O2/c1-15-4-3-5-17(16(15)2)13-29(19-6-7-19)24(30)21-12-28-9-8-25(21)20-11-23(27)22(26)10-18(20)14-31-25/h3-5,10-11,19,21,28H,6-9,12-14H2,1-2H3/t21-,25+/m1/s1
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin in human plasma using QXL520-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-Lys-(5-FAM) as substrate preincubated for 10 m...


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50359185
PNG
(CHEMBL1923122)
Show SMILES COCCCc1cccc2cccc(CN(C3CC3)C(=O)[C@H]3CNCC[C@@]33OCc4cc(F)c(F)cc34)c12 |r|
Show InChI InChI=1S/C31H34F2N2O3/c1-37-14-4-9-21-6-2-5-20-7-3-8-22(29(20)21)18-35(24-10-11-24)30(36)26-17-34-13-12-31(26)25-16-28(33)27(32)15-23(25)19-38-31/h2-3,5-8,15-16,24,26,34H,4,9-14,17-19H2,1H3/t26-,31+/m1/s1
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin in human plasma using QXL520-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-Lys-(5-FAM) as substrate preincubated for 10 m...


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50359194
PNG
(CHEMBL1923131)
Show SMILES COCCCc1cc(CCCN2CCS(=O)(=O)CC2)c(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1 |r|
Show InChI InChI=1S/C34H44ClF2N3O5S/c1-44-13-3-4-23-16-24(5-2-10-39-11-14-46(42,43)15-12-39)32(35)25(17-23)21-40(27-6-7-27)33(41)29-20-38-9-8-34(29)28-19-31(37)30(36)18-26(28)22-45-34/h16-19,27,29,38H,2-15,20-22H2,1H3/t29-,34+/m1/s1
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin in human plasma using QXL520-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-Lys-(5-FAM) as substrate preincubated for 10 m...


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50359181
PNG
(CHEMBL1923118)
Show SMILES Fc1cc2CO[C@@]3(CCNC[C@@H]3C(=O)N(Cc3cccc(c3Cl)C(F)(F)F)C3CC3)c2cc1F |r|
Show InChI InChI=1S/C24H22ClF5N2O2/c25-21-13(2-1-3-16(21)24(28,29)30)11-32(15-4-5-15)22(33)18-10-31-7-6-23(18)17-9-20(27)19(26)8-14(17)12-34-23/h1-3,8-9,15,18,31H,4-7,10-12H2/t18-,23+/m1/s1
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin using 9 DNP-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-D,L-Amp as substrate after 3 hrs by Q-FRET assay in presence of...


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50359191
PNG
(CHEMBL1923128)
Show SMILES CCN(CC)CCCc1cc(CCCOC)cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1Cl |r|
Show InChI InChI=1S/C34H46ClF2N3O3/c1-4-39(5-2)14-6-9-24-16-23(8-7-15-42-3)17-25(32(24)35)21-40(27-10-11-27)33(41)29-20-38-13-12-34(29)28-19-31(37)30(36)18-26(28)22-43-34/h16-19,27,29,38H,4-15,20-22H2,1-3H3/t29-,34+/m1/s1
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin in human plasma using QXL520-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-Lys-(5-FAM) as substrate preincubated for 10 m...


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50359188
PNG
(CHEMBL1923125)
Show SMILES Fc1cc2CO[C@@]3(CCNC[C@@H]3C(=O)N(Cc3cccc4cccnc34)C3CC3)c2cc1F |r|
Show InChI InChI=1S/C26H25F2N3O2/c27-22-11-18-15-33-26(20(18)12-23(22)28)8-10-29-13-21(26)25(32)31(19-6-7-19)14-17-4-1-3-16-5-2-9-30-24(16)17/h1-5,9,11-12,19,21,29H,6-8,10,13-15H2/t21-,26+/m1/s1
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n/an/a 0.700n/an/an/an/a7.4n/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin using 9 DNP-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-D,L-Amp as substrate after 3 hrs by Q-FRET assay in presence of...


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50359183
PNG
(CHEMBL1923120)
Show SMILES Fc1cc2CO[C@@]3(CCNC[C@@H]3C(=O)N(Cc3cccc4ccccc34)C3CC3)c2cc1F |r|
Show InChI InChI=1S/C27H26F2N2O2/c28-24-12-19-16-33-27(22(19)13-25(24)29)10-11-30-14-23(27)26(32)31(20-8-9-20)15-18-6-3-5-17-4-1-2-7-21(17)18/h1-7,12-13,20,23,30H,8-11,14-16H2/t23-,27+/m1/s1
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin in human plasma using QXL520-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-Lys-(5-FAM) as substrate preincubated for 10 m...


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair
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