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Compile Data Set for Download or QSAR

Found 248 hits with Last Name = 'scheiper' and Initial = 'b'   
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
Renin


(Homo sapiens (Human))
BDBM50352962
PNG
(CHEMBL1824936)
Show SMILES Cc1ccc(F)c(C)c1Oc1c(C(=O)N2CCNCC2)c2ncccc2n1-c1ccccc1
Show InChI InChI=1S/C26H25FN4O2/c1-17-10-11-20(27)18(2)24(17)33-26-22(25(32)30-15-13-28-14-16-30)23-21(9-6-12-29-23)31(26)19-7-4-3-5-8-19/h3-12,28H,13-16H2,1-2H3
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n/an/a 1.30n/an/an/an/an/an/a



Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using dabcyl-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate preincubated for 30 mins afte...


Bioorg Med Chem Lett 21: 5480-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.114
BindingDB Entry DOI: 10.7270/Q2HH6KFK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50352995
PNG
(CHEMBL1825181)
Show SMILES Cc1ccc(F)c(C)c1Oc1c(C(=O)N2CCNCC2)c2ccncc2n1-c1ccccc1
Show InChI InChI=1S/C26H25FN4O2/c1-17-8-9-21(27)18(2)24(17)33-26-23(25(32)30-14-12-28-13-15-30)20-10-11-29-16-22(20)31(26)19-6-4-3-5-7-19/h3-11,16,28H,12-15H2,1-2H3
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n/an/a 2n/an/an/an/an/an/a



Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using dabcyl-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate preincubated for 30 mins afte...


Bioorg Med Chem Lett 21: 5480-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.114
BindingDB Entry DOI: 10.7270/Q2HH6KFK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50329031
PNG
((2-(5-fluoro-2-methylphenoxy)-5-hydroxy-1-phenyl-1...)
Show SMILES Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2cc(O)ccc2n1-c1ccccc1
Show InChI InChI=1S/C26H24FN3O3/c1-17-7-8-18(27)15-23(17)33-26-24(25(32)29-13-11-28-12-14-29)21-16-20(31)9-10-22(21)30(26)19-5-3-2-4-6-19/h2-10,15-16,28,31H,11-14H2,1H3
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n/an/a 2n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer


Bioorg Med Chem Lett 20: 6268-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.092
BindingDB Entry DOI: 10.7270/Q2VH5P2M
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (Human))
BDBM50329018
PNG
((2-(3-fluoro-2-methylbenzyl)-5-hydroxy-4-methyl-1-...)
Show SMILES Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2c(C)c(O)ccc2n1-c1ccccc1
Show InChI InChI=1S/C28H28FN3O2/c1-18-20(7-6-10-22(18)29)17-24-27(28(34)31-15-13-30-14-16-31)26-19(2)25(33)12-11-23(26)32(24)21-8-4-3-5-9-21/h3-12,30,33H,13-17H2,1-2H3
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n/an/a 2n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer


Bioorg Med Chem Lett 20: 6268-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.092
BindingDB Entry DOI: 10.7270/Q2VH5P2M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Renin


(Homo sapiens (Human))
BDBM50353000
PNG
(CHEMBL1825187)
Show SMILES Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2ccnc(Cc3ccccc3)c2n1-c1ccccc1
Show InChI InChI=1S/C32H29FN4O2/c1-22-12-13-24(33)21-28(22)39-32-29(31(38)36-18-16-34-17-19-36)26-14-15-35-27(20-23-8-4-2-5-9-23)30(26)37(32)25-10-6-3-7-11-25/h2-15,21,34H,16-20H2,1H3
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n/an/a 3n/an/an/an/an/an/a



Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using dabcyl-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate preincubated for 30 mins afte...


Bioorg Med Chem Lett 21: 5480-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.114
BindingDB Entry DOI: 10.7270/Q2HH6KFK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Renin


(Homo sapiens (Human))
BDBM50352986
PNG
(CHEMBL1824961)
Show SMILES Cc1cccc(C)c1Oc1c(C(=O)N2CCNCC2)c2ncc(O)cc2n1-c1ccccc1
Show InChI InChI=1S/C26H26N4O3/c1-17-7-6-8-18(2)24(17)33-26-22(25(32)29-13-11-27-12-14-29)23-21(15-20(31)16-28-23)30(26)19-9-4-3-5-10-19/h3-10,15-16,27,31H,11-14H2,1-2H3
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n/an/a 3n/an/an/an/an/an/a



Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using dabcyl-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate preincubated for 30 mins afte...


Bioorg Med Chem Lett 21: 5480-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.114
BindingDB Entry DOI: 10.7270/Q2HH6KFK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50352922
PNG
(CHEMBL1824630)
Show SMILES COc1ccc2c(C(=O)N3CCNCC3)c(Oc3c(C)cccc3C)n(-c3ccccc3)c2n1
Show InChI InChI=1S/C27H28N4O3/c1-18-8-7-9-19(2)24(18)34-27-23(26(32)30-16-14-28-15-17-30)21-12-13-22(33-3)29-25(21)31(27)20-10-5-4-6-11-20/h4-13,28H,14-17H2,1-3H3
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n/an/a 3n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin using Dabcyl-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate after 2 hrs by spectrofluorom...


Bioorg Med Chem Lett 21: 5487-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.112
BindingDB Entry DOI: 10.7270/Q2RX9CFJ
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM50347388
PNG
(CHEMBL1234833)
Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@H](O)CO)nc12 |r|
Show InChI InChI=1S/C20H27N5O3/c1-13(2)15-10-22-25-19(21-9-14-6-4-3-5-7-14)8-18(24-20(15)25)23-16(11-26)17(28)12-27/h3-8,10,13,16-17,21,26-28H,9,11-12H2,1-2H3,(H,23,24)/t16-,17+/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclinE assessed as amount of ATP released by luciferase activity based PKLight assay


J Med Chem 53: 8508-22 (2010)


Article DOI: 10.1021/jm100732t
BindingDB Entry DOI: 10.7270/Q2B858GZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Renin


(Homo sapiens (Human))
BDBM50352970
PNG
(CHEMBL1824944)
Show SMILES Cc1cccc(C)c1Oc1c(C(=O)N2CCNCC2)c2ncccc2n1C1CCCCC1
Show InChI InChI=1S/C26H32N4O2/c1-18-8-6-9-19(2)24(18)32-26-22(25(31)29-16-14-27-15-17-29)23-21(12-7-13-28-23)30(26)20-10-4-3-5-11-20/h6-9,12-13,20,27H,3-5,10-11,14-17H2,1-2H3
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n/an/a 4n/an/an/an/an/an/a



Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using dabcyl-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate preincubated for 30 mins afte...


Bioorg Med Chem Lett 21: 5480-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.114
BindingDB Entry DOI: 10.7270/Q2HH6KFK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50329017
PNG
((2-(3-fluoro-2-methylbenzyl)-5-hydroxy-1-phenyl-1H...)
Show SMILES Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2cc(O)ccc2n1-c1ccccc1
Show InChI InChI=1S/C27H26FN3O2/c1-18-19(6-5-9-23(18)28)16-25-26(27(33)30-14-12-29-13-15-30)22-17-21(32)10-11-24(22)31(25)20-7-3-2-4-8-20/h2-11,17,29,32H,12-16H2,1H3
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n/an/a 4n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer


Bioorg Med Chem Lett 20: 6268-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.092
BindingDB Entry DOI: 10.7270/Q2VH5P2M
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (Human))
BDBM50329016
PNG
((2-(3-fluoro-2-methylbenzyl)-6-hydroxy-1-phenyl-1H...)
Show SMILES Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2ccc(O)cc2n1-c1ccccc1
Show InChI InChI=1S/C27H26FN3O2/c1-18-19(6-5-9-23(18)28)16-25-26(27(33)30-14-12-29-13-15-30)22-11-10-21(32)17-24(22)31(25)20-7-3-2-4-8-20/h2-11,17,29,32H,12-16H2,1H3
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n/an/a 4n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer


Bioorg Med Chem Lett 20: 6268-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.092
BindingDB Entry DOI: 10.7270/Q2VH5P2M
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (Human))
BDBM50353002
PNG
(CHEMBL1825189)
Show SMILES Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2ccnc(Cc3cccc(F)c3C)c2n1-c1ccccc1
Show InChI InChI=1S/C34H32F2N4O/c1-22-24(8-6-12-28(22)35)20-30-33-27(14-15-38-30)32(34(41)39-18-16-37-17-19-39)31(40(33)26-10-4-3-5-11-26)21-25-9-7-13-29(36)23(25)2/h3-15,37H,16-21H2,1-2H3
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Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using dabcyl-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate preincubated for 30 mins afte...


Bioorg Med Chem Lett 21: 5480-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.114
BindingDB Entry DOI: 10.7270/Q2HH6KFK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50329043
PNG
((2-(5-fluoro-2-methylphenoxy)-1-phenyl-1H-indol-3-...)
Show SMILES Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2ccccc2n1-c1ccccc1
Show InChI InChI=1S/C26H24FN3O2/c1-18-11-12-19(27)17-23(18)32-26-24(25(31)29-15-13-28-14-16-29)21-9-5-6-10-22(21)30(26)20-7-3-2-4-8-20/h2-12,17,28H,13-16H2,1H3
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n/an/a 5n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer


Bioorg Med Chem Lett 20: 6268-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.092
BindingDB Entry DOI: 10.7270/Q2VH5P2M
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (Human))
BDBM50352891
PNG
(CHEMBL1824645)
Show SMILES COc1cc2n(c(Cc3cccc(F)c3C)c(C(=O)N3CCNCC3)c2cn1)-c1ccccc1
Show InChI InChI=1S/C27H27FN4O2/c1-18-19(7-6-10-22(18)28)15-24-26(27(33)31-13-11-29-12-14-31)21-17-30-25(34-2)16-23(21)32(24)20-8-4-3-5-9-20/h3-10,16-17,29H,11-15H2,1-2H3
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n/an/a 6n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin using Dabcyl-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate after 2 hrs by spectrofluorom...


Bioorg Med Chem Lett 21: 5487-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.112
BindingDB Entry DOI: 10.7270/Q2RX9CFJ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50352893
PNG
(CHEMBL1824627)
Show SMILES Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2cc(O)cnc2n1-c1ccccc1
Show InChI InChI=1S/C26H25FN4O2/c1-17-18(6-5-9-22(17)27)14-23-24(26(33)30-12-10-28-11-13-30)21-15-20(32)16-29-25(21)31(23)19-7-3-2-4-8-19/h2-9,15-16,28,32H,10-14H2,1H3
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Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin using Dabcyl-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate after 2 hrs by spectrofluorom...


Bioorg Med Chem Lett 21: 5487-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.112
BindingDB Entry DOI: 10.7270/Q2RX9CFJ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50329032
PNG
(2-(5-fluoro-2-methylphenoxy)-1-phenyl-3-(piperazin...)
Show SMILES Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2cc(ccc2n1-c1ccccc1)C(N)=O
Show InChI InChI=1S/C27H25FN4O3/c1-17-7-9-19(28)16-23(17)35-27-24(26(34)31-13-11-30-12-14-31)21-15-18(25(29)33)8-10-22(21)32(27)20-5-3-2-4-6-20/h2-10,15-16,30H,11-14H2,1H3,(H2,29,33)
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Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer


Bioorg Med Chem Lett 20: 6268-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.092
BindingDB Entry DOI: 10.7270/Q2VH5P2M
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (Human))
BDBM50352894
PNG
(CHEMBL1824626)
Show SMILES Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2cc(O)cnc2n1-c1ccccc1
Show InChI InChI=1S/C25H23FN4O3/c1-16-7-8-17(26)13-21(16)33-25-22(24(32)29-11-9-27-10-12-29)20-14-19(31)15-28-23(20)30(25)18-5-3-2-4-6-18/h2-8,13-15,27,31H,9-12H2,1H3
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Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin using Dabcyl-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate after 2 hrs by spectrofluorom...


Bioorg Med Chem Lett 21: 5487-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.112
BindingDB Entry DOI: 10.7270/Q2RX9CFJ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50352892
PNG
(CHEMBL1824642)
Show SMILES Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2cnccc2n1-c1ccccc1
Show InChI InChI=1S/C26H25FN4O/c1-18-19(6-5-9-22(18)27)16-24-25(26(32)30-14-12-28-13-15-30)21-17-29-11-10-23(21)31(24)20-7-3-2-4-8-20/h2-11,17,28H,12-16H2,1H3
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n/an/a 8n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin using Dabcyl-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate after 2 hrs by spectrofluorom...


Bioorg Med Chem Lett 21: 5487-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.112
BindingDB Entry DOI: 10.7270/Q2RX9CFJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (Human))
BDBM50352989
PNG
(CHEMBL1824964)
Show SMILES Cc1cnc2c(C(=O)N3CCNCC3)c(Cc3cccc(F)c3C)n(-c3ccccc3)c2c1
Show InChI InChI=1S/C27H27FN4O/c1-18-15-24-26(30-17-18)25(27(33)31-13-11-29-12-14-31)23(32(24)21-8-4-3-5-9-21)16-20-7-6-10-22(28)19(20)2/h3-10,15,17,29H,11-14,16H2,1-2H3
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n/an/a 9n/an/an/an/an/an/a



Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using dabcyl-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate preincubated for 30 mins afte...


Bioorg Med Chem Lett 21: 5480-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.114
BindingDB Entry DOI: 10.7270/Q2HH6KFK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50329047
PNG
((2-(3-fluoro-2-methylbenzyl)-1-phenyl-1H-indol-3-y...)
Show SMILES Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2ccccc2n1-c1ccccc1
Show InChI InChI=1S/C27H26FN3O/c1-19-20(8-7-12-23(19)28)18-25-26(27(32)30-16-14-29-15-17-30)22-11-5-6-13-24(22)31(25)21-9-3-2-4-10-21/h2-13,29H,14-18H2,1H3
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n/an/a 9n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer


Bioorg Med Chem Lett 20: 6268-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.092
BindingDB Entry DOI: 10.7270/Q2VH5P2M
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (Human))
BDBM50352901
PNG
(CHEMBL1824897)
Show SMILES C[C@H]1CN(CCN1)C(=O)c1c(Oc2cc(F)ccc2C)n(C2CCCCC2)c2cc(=O)[nH]cc12 |r|
Show InChI InChI=1S/C26H31FN4O3/c1-16-8-9-18(27)12-22(16)34-26-24(25(33)30-11-10-28-17(2)15-30)20-14-29-23(32)13-21(20)31(26)19-6-4-3-5-7-19/h8-9,12-14,17,19,28H,3-7,10-11,15H2,1-2H3,(H,29,32)/t17-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin using Dabcyl-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate after 2 hrs by spectrofluorom...


Bioorg Med Chem Lett 21: 5487-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.112
BindingDB Entry DOI: 10.7270/Q2RX9CFJ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50329045
PNG
((2-(3-fluoro-2-methylphenoxy)-1-phenyl-1H-indol-3-...)
Show SMILES Cc1c(F)cccc1Oc1c(C(=O)N2CCNCC2)c2ccccc2n1-c1ccccc1
Show InChI InChI=1S/C26H24FN3O2/c1-18-21(27)11-7-13-23(18)32-26-24(25(31)29-16-14-28-15-17-29)20-10-5-6-12-22(20)30(26)19-8-3-2-4-9-19/h2-13,28H,14-17H2,1H3
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n/an/a 11n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer


Bioorg Med Chem Lett 20: 6268-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.092
BindingDB Entry DOI: 10.7270/Q2VH5P2M
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (Human))
BDBM50352969
PNG
(CHEMBL1824943)
Show SMILES Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2ncccc2n1-c1ccccc1
Show InChI InChI=1S/C26H25FN4O/c1-18-19(7-5-10-21(18)27)17-23-24(26(32)30-15-13-28-14-16-30)25-22(11-6-12-29-25)31(23)20-8-3-2-4-9-20/h2-12,28H,13-17H2,1H3
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n/an/a 12n/an/an/an/an/an/a



Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using dabcyl-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate preincubated for 30 mins afte...


Bioorg Med Chem Lett 21: 5480-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.114
BindingDB Entry DOI: 10.7270/Q2HH6KFK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50329015
PNG
((2-(3-fluoro-2-methylbenzyl)-6-methoxy-1-phenyl-1H...)
Show SMILES COc1ccc2c(C(=O)N3CCNCC3)c(Cc3cccc(F)c3C)n(-c3ccccc3)c2c1
Show InChI InChI=1S/C28H28FN3O2/c1-19-20(7-6-10-24(19)29)17-26-27(28(33)31-15-13-30-14-16-31)23-12-11-22(34-2)18-25(23)32(26)21-8-4-3-5-9-21/h3-12,18,30H,13-17H2,1-2H3
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n/an/a 12n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer


Bioorg Med Chem Lett 20: 6268-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.092
BindingDB Entry DOI: 10.7270/Q2VH5P2M
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (Human))
BDBM50352985
PNG
(CHEMBL1824960)
Show SMILES Cc1cnc2c(C(=O)N3CCNCC3)c(Oc3cc(F)ccc3C)n(-c3ccccc3)c2c1
Show InChI InChI=1S/C26H25FN4O2/c1-17-14-21-24(29-16-17)23(25(32)30-12-10-28-11-13-30)26(31(21)20-6-4-3-5-7-20)33-22-15-19(27)9-8-18(22)2/h3-9,14-16,28H,10-13H2,1-2H3
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n/an/a 14n/an/an/an/an/an/a



Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using dabcyl-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate preincubated for 30 mins afte...


Bioorg Med Chem Lett 21: 5480-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.114
BindingDB Entry DOI: 10.7270/Q2HH6KFK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50352961
PNG
(CHEMBL1824935)
Show SMILES Cc1cccc(C)c1Oc1c(C(=O)N2CCNCC2)c2ncccc2n1-c1ccccc1
Show InChI InChI=1S/C26H26N4O2/c1-18-8-6-9-19(2)24(18)32-26-22(25(31)29-16-14-27-15-17-29)23-21(12-7-13-28-23)30(26)20-10-4-3-5-11-20/h3-13,27H,14-17H2,1-2H3
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n/an/a 14n/an/an/an/an/an/a



Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using dabcyl-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate preincubated for 30 mins afte...


Bioorg Med Chem Lett 21: 5480-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.114
BindingDB Entry DOI: 10.7270/Q2HH6KFK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50353003
PNG
(CHEMBL1825183)
Show SMILES Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2ccncc2n1-c1ccccc1
Show InChI InChI=1S/C26H25FN4O/c1-18-19(6-5-9-22(18)27)16-23-25(26(32)30-14-12-28-13-15-30)21-10-11-29-17-24(21)31(23)20-7-3-2-4-8-20/h2-11,17,28H,12-16H2,1H3
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n/an/a 14n/an/an/an/an/an/a



Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using dabcyl-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate preincubated for 30 mins afte...


Bioorg Med Chem Lett 21: 5480-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.114
BindingDB Entry DOI: 10.7270/Q2HH6KFK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (Human))
BDBM50352923
PNG
(CHEMBL1824629)
Show SMILES COc1ccc2c(C(=O)N3CCNCC3)c(Oc3cc(F)ccc3C)n(-c3ccccc3)c2n1
Show InChI InChI=1S/C26H25FN4O3/c1-17-8-9-18(27)16-21(17)34-26-23(25(32)30-14-12-28-13-15-30)20-10-11-22(33-2)29-24(20)31(26)19-6-4-3-5-7-19/h3-11,16,28H,12-15H2,1-2H3
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n/an/a 15n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin using Dabcyl-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate after 2 hrs by spectrofluorom...


Bioorg Med Chem Lett 21: 5487-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.112
BindingDB Entry DOI: 10.7270/Q2RX9CFJ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50352961
PNG
(CHEMBL1824935)
Show SMILES Cc1cccc(C)c1Oc1c(C(=O)N2CCNCC2)c2ncccc2n1-c1ccccc1
Show InChI InChI=1S/C26H26N4O2/c1-18-8-6-9-19(2)24(18)32-26-22(25(31)29-16-14-27-15-17-29)23-21(12-7-13-28-23)30(26)20-10-4-3-5-11-20/h3-13,27H,14-17H2,1-2H3
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n/an/a 15n/an/an/an/an/an/a



Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using dabcyl-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate preincubated for 30 mins afte...


Bioorg Med Chem Lett 21: 5480-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.114
BindingDB Entry DOI: 10.7270/Q2HH6KFK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50329044
PNG
((2-(2-fluoro-6-methylphenoxy)-1-phenyl-1H-indol-3-...)
Show SMILES Cc1cccc(F)c1Oc1c(C(=O)N2CCNCC2)c2ccccc2n1-c1ccccc1
Show InChI InChI=1S/C26H24FN3O2/c1-18-8-7-12-21(27)24(18)32-26-23(25(31)29-16-14-28-15-17-29)20-11-5-6-13-22(20)30(26)19-9-3-2-4-10-19/h2-13,28H,14-17H2,1H3
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n/an/a 16n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer


Bioorg Med Chem Lett 20: 6268-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.092
BindingDB Entry DOI: 10.7270/Q2VH5P2M
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (Human))
BDBM50329048
PNG
((2-(2-chloro-6-fluorobenzyl)-1-phenyl-1H-indol-3-y...)
Show SMILES Fc1cccc(Cl)c1Cc1c(C(=O)N2CCNCC2)c2ccccc2n1-c1ccccc1
Show InChI InChI=1S/C26H23ClFN3O/c27-21-10-6-11-22(28)20(21)17-24-25(26(32)30-15-13-29-14-16-30)19-9-4-5-12-23(19)31(24)18-7-2-1-3-8-18/h1-12,29H,13-17H2
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n/an/a 18n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer


Bioorg Med Chem Lett 20: 6268-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.092
BindingDB Entry DOI: 10.7270/Q2VH5P2M
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (Human))
BDBM50329025
PNG
((1-cyclopentyl-2-(3-fluoro-2-methylbenzyl)-1H-indo...)
Show SMILES Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2ccccc2n1C1CCCC1
Show InChI InChI=1S/C26H30FN3O/c1-18-19(7-6-11-22(18)27)17-24-25(26(31)29-15-13-28-14-16-29)21-10-4-5-12-23(21)30(24)20-8-2-3-9-20/h4-7,10-12,20,28H,2-3,8-9,13-17H2,1H3
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n/an/a 20n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer


Bioorg Med Chem Lett 20: 6268-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.092
BindingDB Entry DOI: 10.7270/Q2VH5P2M
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50347389
PNG
(CHEMBL1801932)
Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12
Show InChI InChI=1S/C22H32N6/c1-17(2)19-16-26-28-21(25-15-18-10-6-5-7-11-18)14-20(27-22(19)28)24-13-9-4-3-8-12-23/h5-7,10-11,14,16-17,25H,3-4,8-9,12-13,15,23H2,1-2H3,(H,24,27)
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n/an/a 21n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of CDK7/cyclinH/MAT1 assessed as amount of ATP released by luciferase activity based PKLight assay


J Med Chem 53: 8508-22 (2010)


Article DOI: 10.1021/jm100732t
BindingDB Entry DOI: 10.7270/Q2B858GZ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50329038
PNG
((1-phenyl-2-(o-tolyloxy)-1H-indol-3-yl)(piperazin-...)
Show SMILES Cc1ccccc1Oc1c(C(=O)N2CCNCC2)c2ccccc2n1-c1ccccc1
Show InChI InChI=1S/C26H25N3O2/c1-19-9-5-8-14-23(19)31-26-24(25(30)28-17-15-27-16-18-28)21-12-6-7-13-22(21)29(26)20-10-3-2-4-11-20/h2-14,27H,15-18H2,1H3
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n/an/a 21n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer


Bioorg Med Chem Lett 20: 6268-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.092
BindingDB Entry DOI: 10.7270/Q2VH5P2M
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (Human))
BDBM50352957
PNG
(CHEMBL1824931)
Show SMILES Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2ncccc2n1-c1ccccc1
Show InChI InChI=1S/C25H23FN4O2/c1-17-9-10-18(26)16-21(17)32-25-22(24(31)29-14-12-27-13-15-29)23-20(8-5-11-28-23)30(25)19-6-3-2-4-7-19/h2-11,16,27H,12-15H2,1H3
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n/an/a 24n/an/an/an/an/an/a



Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using dabcyl-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate preincubated for 30 mins afte...


Bioorg Med Chem Lett 21: 5480-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.114
BindingDB Entry DOI: 10.7270/Q2HH6KFK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50352907
PNG
(CHEMBL1824647)
Show SMILES Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2c[nH]c(=O)cc2n1-c1ccccc1
Show InChI InChI=1S/C25H23FN4O3/c1-16-7-8-17(26)13-21(16)33-25-23(24(32)29-11-9-27-10-12-29)19-15-28-22(31)14-20(19)30(25)18-5-3-2-4-6-18/h2-8,13-15,27H,9-12H2,1H3,(H,28,31)
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n/an/a 24n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin using Dabcyl-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate after 2 hrs by spectrofluorom...


Bioorg Med Chem Lett 21: 5487-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.112
BindingDB Entry DOI: 10.7270/Q2RX9CFJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (Human))
BDBM50329029
PNG
((2-(5-fluoro-2-methylphenoxy)-6-methoxy-1-phenyl-1...)
Show SMILES COc1ccc2c(C(=O)N3CCNCC3)c(Oc3cc(F)ccc3C)n(-c3ccccc3)c2c1
Show InChI InChI=1S/C27H26FN3O3/c1-18-8-9-19(28)16-24(18)34-27-25(26(32)30-14-12-29-13-15-30)22-11-10-21(33-2)17-23(22)31(27)20-6-4-3-5-7-20/h3-11,16-17,29H,12-15H2,1-2H3
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n/an/a 24n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer


Bioorg Med Chem Lett 20: 6268-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.092
BindingDB Entry DOI: 10.7270/Q2VH5P2M
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50329009
PNG
((2-(3-fluoro-2-methylbenzyl)-6-(2-phenoxyethoxy)-1...)
Show SMILES Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2ccc(OCCOc3ccccc3)cc2n1-c1ccccc1
Show InChI InChI=1S/C35H34FN3O3/c1-25-26(9-8-14-31(25)36)23-33-34(35(40)38-19-17-37-18-20-38)30-16-15-29(42-22-21-41-28-12-6-3-7-13-28)24-32(30)39(33)27-10-4-2-5-11-27/h2-16,24,37H,17-23H2,1H3
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n/an/a 24n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer


Bioorg Med Chem Lett 20: 6268-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.092
BindingDB Entry DOI: 10.7270/Q2VH5P2M
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (Human))
BDBM50353003
PNG
(CHEMBL1825183)
Show SMILES Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2ccncc2n1-c1ccccc1
Show InChI InChI=1S/C26H25FN4O/c1-18-19(6-5-9-22(18)27)16-23-25(26(32)30-14-12-28-13-15-30)21-10-11-29-17-24(21)31(23)20-7-3-2-4-8-20/h2-11,17,28H,12-16H2,1H3
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n/an/a 25n/an/an/an/an/an/a



Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using dabcyl-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate preincubated for 30 mins afte...


Bioorg Med Chem Lett 21: 5480-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.114
BindingDB Entry DOI: 10.7270/Q2HH6KFK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (Human))
BDBM50353003
PNG
(CHEMBL1825183)
Show SMILES Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2ccncc2n1-c1ccccc1
Show InChI InChI=1S/C26H25FN4O/c1-18-19(6-5-9-22(18)27)16-23-25(26(32)30-14-12-28-13-15-30)21-10-11-29-17-24(21)31(23)20-7-3-2-4-8-20/h2-11,17,28H,12-16H2,1H3
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n/an/a 26n/an/an/an/an/an/a



Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using dabcyl-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate preincubated for 30 mins afte...


Bioorg Med Chem Lett 21: 5480-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.114
BindingDB Entry DOI: 10.7270/Q2HH6KFK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (Human))
BDBM50352993
PNG
(CHEMBL1825179)
Show SMILES Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2ccncc2n1-c1ccccc1
Show InChI InChI=1S/C25H23FN4O2/c1-17-7-8-18(26)15-22(17)32-25-23(24(31)29-13-11-27-12-14-29)20-9-10-28-16-21(20)30(25)19-5-3-2-4-6-19/h2-10,15-16,27H,11-14H2,1H3
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n/an/a 27n/an/an/an/an/an/a



Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using dabcyl-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate preincubated for 30 mins afte...


Bioorg Med Chem Lett 21: 5480-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.114
BindingDB Entry DOI: 10.7270/Q2HH6KFK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (Human))
BDBM50329013
PNG
((6-(2-(dimethylamino)ethoxy)-2-(5-fluoro-2-methylp...)
Show SMILES CN(C)CCOc1ccc2c(C(=O)N3CCNCC3)c(Oc3cc(F)ccc3C)n(-c3ccccc3)c2c1
Show InChI InChI=1S/C30H33FN4O3/c1-21-9-10-22(31)19-27(21)38-30-28(29(36)34-15-13-32-14-16-34)25-12-11-24(37-18-17-33(2)3)20-26(25)35(30)23-7-5-4-6-8-23/h4-12,19-20,32H,13-18H2,1-3H3
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n/an/a 29n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer


Bioorg Med Chem Lett 20: 6268-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.092
BindingDB Entry DOI: 10.7270/Q2VH5P2M
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50352961
PNG
(CHEMBL1824935)
Show SMILES Cc1cccc(C)c1Oc1c(C(=O)N2CCNCC2)c2ncccc2n1-c1ccccc1
Show InChI InChI=1S/C26H26N4O2/c1-18-8-6-9-19(2)24(18)32-26-22(25(31)29-16-14-27-15-17-29)23-21(12-7-13-28-23)30(26)20-10-4-3-5-11-20/h3-13,27H,14-17H2,1-2H3
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n/an/a 30n/an/an/an/an/an/a



Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using dabcyl-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate preincubated for 30 mins afte...


Bioorg Med Chem Lett 21: 5480-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.114
BindingDB Entry DOI: 10.7270/Q2HH6KFK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50329010
PNG
((2-(3-fluoro-2-methylbenzyl)-6-(2-hydroxyethoxy)-1...)
Show SMILES Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2ccc(OCCO)cc2n1-c1ccccc1
Show InChI InChI=1S/C29H30FN3O3/c1-20-21(6-5-9-25(20)30)18-27-28(29(35)32-14-12-31-13-15-32)24-11-10-23(36-17-16-34)19-26(24)33(27)22-7-3-2-4-8-22/h2-11,19,31,34H,12-18H2,1H3
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n/an/a 31n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer


Bioorg Med Chem Lett 20: 6268-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.092
BindingDB Entry DOI: 10.7270/Q2VH5P2M
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50347388
PNG
(CHEMBL1234833)
Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@H](O)CO)nc12 |r|
Show InChI InChI=1S/C20H27N5O3/c1-13(2)15-10-22-25-19(21-9-14-6-4-3-5-7-14)8-18(24-20(15)25)23-16(11-26)17(28)12-27/h3-8,10,13,16-17,21,26-28H,9,11-12H2,1-2H3,(H,23,24)/t16-,17+/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclinB1 assessed as amount of ATP released by luciferase activity based PKLight assay


J Med Chem 53: 8508-22 (2010)


Article DOI: 10.1021/jm100732t
BindingDB Entry DOI: 10.7270/Q2B858GZ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50329024
PNG
((1-cyclohexyl-2-(3-fluoro-2-methylbenzyl)-1H-indol...)
Show SMILES Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2ccccc2n1C1CCCCC1
Show InChI InChI=1S/C27H32FN3O/c1-19-20(8-7-12-23(19)28)18-25-26(27(32)30-16-14-29-15-17-30)22-11-5-6-13-24(22)31(25)21-9-3-2-4-10-21/h5-8,11-13,21,29H,2-4,9-10,14-18H2,1H3
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n/an/a 34n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer


Bioorg Med Chem Lett 20: 6268-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.092
BindingDB Entry DOI: 10.7270/Q2VH5P2M
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50352962
PNG
(CHEMBL1824936)
Show SMILES Cc1ccc(F)c(C)c1Oc1c(C(=O)N2CCNCC2)c2ncccc2n1-c1ccccc1
Show InChI InChI=1S/C26H25FN4O2/c1-17-10-11-20(27)18(2)24(17)33-26-22(25(32)30-15-13-28-14-16-30)23-21(9-6-12-29-23)31(26)19-7-4-3-5-8-19/h3-12,28H,13-16H2,1-2H3
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n/an/a 36n/an/an/an/an/an/a



Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using dabcyl-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate preincubated for 30 mins afte...


Bioorg Med Chem Lett 21: 5480-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.114
BindingDB Entry DOI: 10.7270/Q2HH6KFK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50352900
PNG
(CHEMBL1824898)
Show SMILES C[C@H]1CN(CCN1)C(=O)c1c(Oc2c(C)ccc(F)c2C)n(C2CCCCC2)c2cc(=O)[nH]cc12 |r|
Show InChI InChI=1S/C27H33FN4O3/c1-16-9-10-21(28)18(3)25(16)35-27-24(26(34)31-12-11-29-17(2)15-31)20-14-30-23(33)13-22(20)32(27)19-7-5-4-6-8-19/h9-10,13-14,17,19,29H,4-8,11-12,15H2,1-3H3,(H,30,33)/t17-/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin using Dabcyl-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate after 2 hrs by spectrofluorom...


Bioorg Med Chem Lett 21: 5487-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.112
BindingDB Entry DOI: 10.7270/Q2RX9CFJ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50329011
PNG
((2-(3-fluoro-2-methylbenzyl)-6-(methylsulfonyl)-1-...)
Show SMILES Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2ccc(cc2n1-c1ccccc1)S(C)(=O)=O
Show InChI InChI=1S/C28H28FN3O3S/c1-19-20(7-6-10-24(19)29)17-26-27(28(33)31-15-13-30-14-16-31)23-12-11-22(36(2,34)35)18-25(23)32(26)21-8-4-3-5-9-21/h3-12,18,30H,13-17H2,1-2H3
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n/an/a 44n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer


Bioorg Med Chem Lett 20: 6268-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.092
BindingDB Entry DOI: 10.7270/Q2VH5P2M
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50352958
PNG
(CHEMBL1824932)
Show SMILES Fc1ccc(Cl)c(Oc2c(C(=O)N3CCNCC3)c3ncccc3n2-c2ccccc2)c1
Show InChI InChI=1S/C24H20ClFN4O2/c25-18-9-8-16(26)15-20(18)32-24-21(23(31)29-13-11-27-12-14-29)22-19(7-4-10-28-22)30(24)17-5-2-1-3-6-17/h1-10,15,27H,11-14H2
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n/an/a 55n/an/an/an/an/an/a



Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using dabcyl-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate preincubated for 30 mins afte...


Bioorg Med Chem Lett 21: 5480-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.114
BindingDB Entry DOI: 10.7270/Q2HH6KFK
More data for this
Ligand-Target Pair
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