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Compile Data Set for Download or QSAR

Found 62 hits from Deutschland GmbH   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
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))
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))
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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n/an/a 5n/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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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
Renin


(Homo sapiens (human))
BDBM50352980
PNG
(CHEMBL1824955)
Show SMILES COC(=O)CC1CN(CCN1)C(=O)c1c(Oc2c(C)cccc2C)n(-c2ccccc2)c2cccnc12
Show InChI InChI=1S/C29H30N4O4/c1-19-9-7-10-20(2)27(19)37-29-25(28(35)32-16-15-30-21(18-32)17-24(34)36-3)26-23(13-8-14-31-26)33(29)22-11-5-4-6-12-22/h4-14,21,30H,15-18H2,1-3H3
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n/an/a 57n/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))
BDBM50352956
PNG
(CHEMBL1824930)
Show SMILES Cc1c(F)cccc1Oc1c(C(=O)N2CCNCC2)c2ncccc2n1-c1ccccc1
Show InChI InChI=1S/C25H23FN4O2/c1-17-19(26)9-5-11-21(17)32-25-22(24(31)29-15-13-27-14-16-29)23-20(10-6-12-28-23)30(25)18-7-3-2-4-8-18/h2-12,27H,13-16H2,1H3
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n/an/a 57n/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))
BDBM50352972
PNG
(CHEMBL1824946)
Show SMILES C[C@H]1CN(CCN1)C(=O)c1c(Oc2c(C)cccc2C)n(-c2ccccc2)c2cccnc12
Show InChI InChI=1S/C27H28N4O2/c1-18-9-7-10-19(2)25(18)33-27-23(26(32)30-16-15-28-20(3)17-30)24-22(13-8-14-29-24)31(27)21-11-5-4-6-12-21/h4-14,20,28H,15-17H2,1-3H3/t20-/m0/s1
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n/an/a 60n/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))
BDBM50352963
PNG
(CHEMBL1824937)
Show SMILES Cc1cccc(C)c1Sc1c(C(=O)N2CCNCC2)c2ncccc2n1-c1ccccc1
Show InChI InChI=1S/C26H26N4OS/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 61n/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))
BDBM50352981
PNG
(CHEMBL1824956)
Show SMILES CNC(=O)CC1CN(CCN1)C(=O)c1c(Oc2c(C)cccc2C)n(-c2ccccc2)c2cccnc12
Show InChI InChI=1S/C29H31N5O3/c1-19-9-7-10-20(2)27(19)37-29-25(28(36)33-16-15-31-21(18-33)17-24(35)30-3)26-23(13-8-14-32-26)34(29)22-11-5-4-6-12-22/h4-14,21,31H,15-18H2,1-3H3,(H,30,35)
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n/an/a 70n/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))
BDBM50352955
PNG
(CHEMBL1824929)
Show SMILES Cc1cccc(F)c1Oc1c(C(=O)N2CCNCC2)c2ncccc2n1-c1ccccc1
Show InChI InChI=1S/C25H23FN4O2/c1-17-7-5-10-19(26)23(17)32-25-21(24(31)29-15-13-27-14-16-29)22-20(11-6-12-28-22)30(25)18-8-3-2-4-9-18/h2-12,27H,13-16H2,1H3
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n/an/a 74n/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))
BDBM50352987
PNG
(CHEMBL1824962)
Show SMILES CCOc1cnc2c(C(=O)N3CCNCC3)c(Oc3c(C)cccc3C)n(-c3ccccc3)c2c1
Show InChI InChI=1S/C28H30N4O3/c1-4-34-22-17-23-25(30-18-22)24(27(33)31-15-13-29-14-16-31)28(32(23)21-11-6-5-7-12-21)35-26-19(2)9-8-10-20(26)3/h5-12,17-18,29H,4,13-16H2,1-3H3
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n/an/a 80n/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))
BDBM50352971
PNG
(CHEMBL1824945)
Show SMILES C[C@H]1CN(CCN1)C(=O)c1c(Oc2c(C)cccc2C)n(C2CCCCC2)c2cccnc12
Show InChI InChI=1S/C27H34N4O2/c1-18-9-7-10-19(2)25(18)33-27-23(26(32)30-16-15-28-20(3)17-30)24-22(13-8-14-29-24)31(27)21-11-5-4-6-12-21/h7-10,13-14,20-21,28H,4-6,11-12,15-17H2,1-3H3/t20-/m0/s1
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n/an/a 80n/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))
BDBM50352960
PNG
(CHEMBL1824934)
Show SMILES Cc1c(F)cc(F)cc1Oc1c(C(=O)N2CCNCC2)c2ncccc2n1-c1ccccc1
Show InChI InChI=1S/C25H22F2N4O2/c1-16-19(27)14-17(26)15-21(16)33-25-22(24(32)30-12-10-28-11-13-30)23-20(8-5-9-29-23)31(25)18-6-3-2-4-7-18/h2-9,14-15,28H,10-13H2,1H3
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n/an/a 107n/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))
BDBM50352988
PNG
(CHEMBL1824963)
Show SMILES Cc1cccc(C)c1Oc1c(C(=O)N2CCNCC2)c2ncc(OCC(O)=O)cc2n1-c1ccccc1
Show InChI InChI=1S/C28H28N4O5/c1-18-7-6-8-19(2)26(18)37-28-24(27(35)31-13-11-29-12-14-31)25-22(32(28)20-9-4-3-5-10-20)15-21(16-30-25)36-17-23(33)34/h3-10,15-16,29H,11-14,17H2,1-2H3,(H,33,34)
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n/an/a 110n/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))
BDBM50352994
PNG
(CHEMBL1825180)
Show SMILES Cc1cccc(C)c1Oc1c(C(=O)N2CCNCC2)c2ccncc2n1-c1ccccc1
Show InChI InChI=1S/C26H26N4O2/c1-18-7-6-8-19(2)24(18)32-26-23(25(31)29-15-13-27-14-16-29)21-11-12-28-17-22(21)30(26)20-9-4-3-5-10-20/h3-12,17,27H,13-16H2,1-2H3
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n/an/a 112n/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))
BDBM50352966
PNG
(CHEMBL1824940)
Show SMILES Cc1ccccc1Cc1c(C(=O)N2CCNCC2)c2ncccc2n1-c1ccccc1
Show InChI InChI=1S/C26H26N4O/c1-19-8-5-6-9-20(19)18-23-24(26(31)29-16-14-27-15-17-29)25-22(12-7-13-28-25)30(23)21-10-3-2-4-11-21/h2-13,27H,14-18H2,1H3
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n/an/a 120n/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))
BDBM50352974
PNG
(CHEMBL1824948)
Show SMILES Cc1cccc(C)c1Oc1c(C(=O)N2CCN[C@@H](CO)C2)c2ncccc2n1-c1ccccc1
Show InChI InChI=1S/C27H28N4O3/c1-18-8-6-9-19(2)25(18)34-27-23(26(33)30-15-14-28-20(16-30)17-32)24-22(12-7-13-29-24)31(27)21-10-4-3-5-11-21/h3-13,20,28,32H,14-17H2,1-2H3/t20-/m1/s1
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n/an/a 143n/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))
BDBM50352982
PNG
(CHEMBL1824957)
Show SMILES Cc1cccc(C)c1Oc1c(C(=O)N2CCNC[C@@H]2Cc2ccccc2)c2ncccc2n1-c1ccccc1
Show InChI InChI=1S/C33H32N4O2/c1-23-11-9-12-24(2)31(23)39-33-29(30-28(17-10-18-35-30)37(33)26-15-7-4-8-16-26)32(38)36-20-19-34-22-27(36)21-25-13-5-3-6-14-25/h3-18,27,34H,19-22H2,1-2H3/t27-/m0/s1
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n/an/a 152n/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))
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 192n/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))
BDBM50352954
PNG
(CHEMBL1824928)
Show SMILES Fc1ccc(F)c(Oc2c(C(=O)N3CCNCC3)c3ncccc3n2-c2ccccc2)c1
Show InChI InChI=1S/C24H20F2N4O2/c25-16-8-9-18(26)20(15-16)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 202n/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))
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 226n/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))
BDBM50352968
PNG
(CHEMBL1824942)
Show SMILES Cc1cc(F)cc(C)c1Cc1c(C(=O)N2CCNCC2)c2ncccc2n1-c1ccccc1
Show InChI InChI=1S/C27H27FN4O/c1-18-15-20(28)16-19(2)22(18)17-24-25(27(33)31-13-11-29-12-14-31)26-23(9-6-10-30-26)32(24)21-7-4-3-5-8-21/h3-10,15-16,29H,11-14,17H2,1-2H3
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n/an/a 246n/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))
BDBM50352950
PNG
(CHEMBL1824924)
Show SMILES Cc1ccccc1Oc1c(C(=O)N2CCNCC2)c2ncccc2n1-c1ccccc1
Show InChI InChI=1S/C25H24N4O2/c1-18-8-5-6-12-21(18)31-25-22(24(30)28-16-14-26-15-17-28)23-20(11-7-13-27-23)29(25)19-9-3-2-4-10-19/h2-13,26H,14-17H2,1H3
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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))
BDBM50352979
PNG
(CHEMBL1824954)
Show SMILES CCCCC1CN(CCN1)C(=O)c1c(Oc2c(C)cccc2C)n(-c2ccccc2)c2cccnc12
Show InChI InChI=1S/C30H34N4O2/c1-4-5-13-23-20-33(19-18-31-23)29(35)26-27-25(16-10-17-32-27)34(24-14-7-6-8-15-24)30(26)36-28-21(2)11-9-12-22(28)3/h6-12,14-17,23,31H,4-5,13,18-20H2,1-3H3
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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))
BDBM50352976
PNG
(CHEMBL1824950)
Show SMILES COC[C@H]1CN(CCN1)C(=O)c1c(Oc2c(C)cccc2C)n(-c2ccccc2)c2cccnc12
Show InChI InChI=1S/C28H30N4O3/c1-19-9-7-10-20(2)26(19)35-28-24(27(33)31-16-15-29-21(17-31)18-34-3)25-23(13-8-14-30-25)32(28)22-11-5-4-6-12-22/h4-14,21,29H,15-18H2,1-3H3/t21-/m1/s1
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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))
BDBM50352953
PNG
(CHEMBL1824927)
Show SMILES Fc1cccc(Oc2c(C(=O)N3CCNCC3)c3ncccc3n2-c2ccccc2)c1F
Show InChI InChI=1S/C24H20F2N4O2/c25-17-8-4-10-19(21(17)26)32-24-20(23(31)29-14-12-27-13-15-29)22-18(9-5-11-28-22)30(24)16-6-2-1-3-7-16/h1-11,27H,12-15H2
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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))
BDBM50352998
PNG
(CHEMBL1825185)
Show SMILES Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2ccnc(Cl)c2n1-c1ccccc1
Show InChI InChI=1S/C25H22ClFN4O2/c1-16-7-8-17(27)15-20(16)33-25-21(24(32)30-13-11-28-12-14-30)19-9-10-29-23(26)22(19)31(25)18-5-3-2-4-6-18/h2-10,15,28H,11-14H2,1H3
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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
3D
3D Structure (docked)
Renin


(Homo sapiens (human))
BDBM50352959
PNG
(CHEMBL1824933)
Show SMILES Cc1cc(F)c(F)cc1Oc1c(C(=O)N2CCNCC2)c2ncccc2n1-c1ccccc1
Show InChI InChI=1S/C25H22F2N4O2/c1-16-14-18(26)19(27)15-21(16)33-25-22(24(32)30-12-10-28-11-13-30)23-20(8-5-9-29-23)31(25)17-6-3-2-4-7-17/h2-9,14-15,28H,10-13H2,1H3
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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))
BDBM50352973
PNG
(CHEMBL1824947)
Show SMILES Cc1cccc(C)c1Oc1c(C(=O)N2CCN[C@@H](CO)C2)c2ncccc2n1C1CCCCC1
Show InChI InChI=1S/C27H34N4O3/c1-18-8-6-9-19(2)25(18)34-27-23(26(33)30-15-14-28-20(16-30)17-32)24-22(12-7-13-29-24)31(27)21-10-4-3-5-11-21/h6-9,12-13,20-21,28,32H,3-5,10-11,14-17H2,1-2H3/t20-/m1/s1
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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))
BDBM50352999
PNG
(CHEMBL1825186)
Show SMILES CCc1nccc2c(C(=O)N3CCNCC3)c(Oc3cc(F)ccc3C)n(-c3ccccc3)c12
Show InChI InChI=1S/C27H27FN4O2/c1-3-22-25-21(11-12-30-22)24(26(33)31-15-13-29-14-16-31)27(32(25)20-7-5-4-6-8-20)34-23-17-19(28)10-9-18(23)2/h4-12,17,29H,3,13-16H2,1-2H3
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n/an/a 423n/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))
BDBM50352977
PNG
(CHEMBL1824951)
Show SMILES CC[C@H]1CN(CCN1)C(=O)c1c(Oc2c(C)cccc2C)n(-c2ccccc2)c2cccnc12
Show InChI InChI=1S/C28H30N4O2/c1-4-21-18-31(17-16-29-21)27(33)24-25-23(14-9-15-30-25)32(22-12-6-5-7-13-22)28(24)34-26-19(2)10-8-11-20(26)3/h5-15,21,29H,4,16-18H2,1-3H3/t21-/m0/s1
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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))
BDBM50352992
PNG
(CHEMBL1825178)
Show SMILES Cc1ccccc1Oc1c(C(=O)N2CCNCC2)c2ccncc2n1-c1ccccc1
Show InChI InChI=1S/C25H24N4O2/c1-18-7-5-6-10-22(18)31-25-23(24(30)28-15-13-26-14-16-28)20-11-12-27-17-21(20)29(25)19-8-3-2-4-9-19/h2-12,17,26H,13-16H2,1H3
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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
3D
3D Structure (docked)
Renin


(Homo sapiens (human))
BDBM50352952
PNG
(CHEMBL1824926)
Show SMILES Fc1ccccc1Oc1c(C(=O)N2CCNCC2)c2ncccc2n1-c1ccccc1
Show InChI InChI=1S/C24H21FN4O2/c25-18-9-4-5-11-20(18)31-24-21(23(30)28-15-13-26-14-16-28)22-19(10-6-12-27-22)29(24)17-7-2-1-3-8-17/h1-12,26H,13-16H2
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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))
BDBM50353001
PNG
(CHEMBL1825188)
Show SMILES Cc1cccc(C)c1Oc1c(C(=O)N2CCNCC2)c2ccnc(Cl)c2n1-c1ccccc1
Show InChI InChI=1S/C26H25ClN4O2/c1-17-7-6-8-18(2)23(17)33-26-21(25(32)30-15-13-28-14-16-30)20-11-12-29-24(27)22(20)31(26)19-9-4-3-5-10-19/h3-12,28H,13-16H2,1-2H3
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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))
BDBM50352990
PNG
(CHEMBL1824965)
Show SMILES COc1ccc2n(c(Cc3cccc(F)c3C)c(C(=O)N3CCNCC3)c2n1)-c1ccccc1
Show InChI InChI=1S/C27H27FN4O2/c1-18-19(7-6-10-21(18)28)17-23-25(27(33)31-15-13-29-14-16-31)26-22(11-12-24(30-26)34-2)32(23)20-8-4-3-5-9-20/h3-12,29H,13-17H2,1-2H3
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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
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