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PubMed code 21840215

Compile data set for download or QSAR
Found 51 hits of Enzyme Inhibition Constant Data   
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))		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
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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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))		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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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))		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))		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))		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))		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))		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))		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))		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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n/an/a 57n/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 preincubated for 30 mins foll...

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))		BDBM50352908
PNG
(CHEMBL1824646)
Show SMILES COc1cc2n(c(Oc3cc(F)ccc3C)c(C(=O)N3CCNCC3)c2cn1)-c1ccccc1
Show InChI InChI=1S/C26H25FN4O3/c1-17-8-9-18(27)14-22(17)34-26-24(25(32)30-12-10-28-11-13-30)20-16-29-23(33-2)15-21(20)31(26)19-6-4-3-5-7-19/h3-9,14-16,28H,10-13H2,1-2H3
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n/an/a 73n/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))		BDBM50352903
PNG
(CHEMBL1824651)
Show SMILES Cc1cccc(C)c1Oc1c(C(=O)N2CCNCC2)c2c[nH]c(=O)cc2n1C1CCCCC1
Show InChI InChI=1S/C26H32N4O3/c1-17-7-6-8-18(2)24(17)33-26-23(25(32)29-13-11-27-12-14-29)20-16-28-22(31)15-21(20)30(26)19-9-4-3-5-10-19/h6-8,15-16,19,27H,3-5,9-14H2,1-2H3,(H,28,31)
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n/an/a 80n/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))		BDBM50352925
PNG
(CHEMBL1824625)
Show SMILES Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2cccnc2n1-c1ccccc1
Show InChI InChI=1S/C26H25FN4O/c1-18-19(7-5-11-22(18)27)17-23-24(26(32)30-15-13-28-14-16-30)21-10-6-12-29-25(21)31(23)20-8-3-2-4-9-20/h2-12,28H,13-17H2,1H3
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n/an/a 86n/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))		BDBM50352905
PNG
(CHEMBL1824649)
Show SMILES Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2c[nH]c(=O)cc2n1-c1ccccc1
Show InChI InChI=1S/C26H25FN4O2/c1-17-18(6-5-9-21(17)27)14-23-25(26(33)30-12-10-28-11-13-30)20-16-29-24(32)15-22(20)31(23)19-7-3-2-4-8-19/h2-9,15-16,28H,10-14H2,1H3,(H,29,32)
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n/an/a 88n/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))		BDBM50352920
PNG
(CHEMBL1824632)
Show SMILES CCc1ccnc2n(c(Cc3cccc(F)c3C)c(C(=O)N3CCNCC3)c12)-c1ccccc1
Show InChI InChI=1S/C28H29FN4O/c1-3-20-12-13-31-27-25(20)26(28(34)32-16-14-30-15-17-32)24(33(27)22-9-5-4-6-10-22)18-21-8-7-11-23(29)19(21)2/h4-13,30H,3,14-18H2,1-2H3
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n/an/a 89n/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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n/an/a 95n/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 preincubated for 30 mins foll...

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))		BDBM50352889
PNG
(CHEMBL1824618)
Show SMILES Cc1ccccc1Oc1c(C(=O)N2CCNCC2)c2cccnc2n1-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)20-11-7-13-27-23(20)29(25)19-9-3-2-4-10-19/h2-13,26H,14-17H2,1H3
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n/an/a 98n/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))		BDBM50352902
PNG
(CHEMBL1824896)
Show SMILES Cc1ccc(F)c(C)c1Oc1c(C(=O)N2CCNCC2)c2c[nH]c(=O)cc2n1C1CCCCC1
Show InChI InChI=1S/C26H31FN4O3/c1-16-8-9-20(27)17(2)24(16)34-26-23(25(33)30-12-10-28-11-13-30)19-15-29-22(32)14-21(19)31(26)18-6-4-3-5-7-18/h8-9,14-15,18,28H,3-7,10-13H2,1-2H3,(H,29,32)
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n/an/a 98n/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))		BDBM50352904
PNG
(CHEMBL1824650)
Show SMILES COc1cc2n(C3CCCCC3)c(Oc3c(C)cccc3C)c(C(=O)N3CCNCC3)c2cn1
Show InChI InChI=1S/C27H34N4O3/c1-18-8-7-9-19(2)25(18)34-27-24(26(32)30-14-12-28-13-15-30)21-17-29-23(33-3)16-22(21)31(27)20-10-5-4-6-11-20/h7-9,16-17,20,28H,4-6,10-15H2,1-3H3
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n/an/a 99n/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))		BDBM50352910
PNG
(CHEMBL1824643)
Show SMILES Fc1cccc(Cl)c1Cc1c(C(=O)N2CCNCC2)c2cnccc2n1-c1ccccc1
Show InChI InChI=1S/C25H22ClFN4O/c26-20-7-4-8-21(27)18(20)15-23-24(25(32)30-13-11-28-12-14-30)19-16-29-10-9-22(19)31(23)17-5-2-1-3-6-17/h1-10,16,28H,11-15H2
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n/an/a 100n/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))		BDBM50352906
PNG
(CHEMBL1824648)
Show SMILES Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2c[nH]c(=O)cc2n1C1CCCCC1
Show InChI InChI=1S/C26H31FN4O2/c1-17-18(6-5-9-21(17)27)14-23-25(26(33)30-12-10-28-11-13-30)20-16-29-24(32)15-22(20)31(23)19-7-3-2-4-8-19/h5-6,9,15-16,19,28H,2-4,7-8,10-14H2,1H3,(H,29,32)
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n/an/a 116n/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))		BDBM50352915
PNG
(CHEMBL1824637)
Show SMILES Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2cnccc2n1-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)20-16-28-10-9-21(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 123n/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))		BDBM50352909
PNG
(CHEMBL1824644)
Show SMILES COc1cc2n(C3CCCCC3)c(Cc3cccc(F)c3C)c(C(=O)N3CCNCC3)c2cn1
Show InChI InChI=1S/C27H33FN4O2/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/h6-7,10,16-17,20,29H,3-5,8-9,11-15H2,1-2H3
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n/an/a 150n/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))		BDBM50352898
PNG
(CHEMBL1824900)
Show SMILES C[C@H]1CN(CCN1)C(=O)c1c(Cc2cccc(F)c2C)n(C2CCCCC2)c2cc(=O)[nH]cc12 |r|
Show InChI InChI=1S/C27H33FN4O2/c1-17-16-31(12-11-29-17)27(34)26-21-15-30-25(33)14-23(21)32(20-8-4-3-5-9-20)24(26)13-19-7-6-10-22(28)18(19)2/h6-7,10,14-15,17,20,29H,3-5,8-9,11-13,16H2,1-2H3,(H,30,33)/t17-/m0/s1
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n/an/a 154n/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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n/an/a 159n/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 preincubated for 30 mins foll...

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))		BDBM50352928
PNG
(CHEMBL1824622)
Show SMILES Cc1c(F)cccc1Oc1c(C(=O)N2CCNCC2)c2cccnc2n1-c1ccccc1
Show InChI InChI=1S/C25H23FN4O2/c1-17-20(26)10-5-11-21(17)32-25-22(24(31)29-15-13-27-14-16-29)19-9-6-12-28-23(19)30(25)18-7-3-2-4-8-18/h2-12,27H,13-16H2,1H3
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n/an/a 170n/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))		BDBM50352914
PNG
(CHEMBL1824638)
Show SMILES Cc1c(F)cccc1Oc1c(C(=O)N2CCNCC2)c2cnccc2n1-c1ccccc1
Show InChI InChI=1S/C25H23FN4O2/c1-17-20(26)8-5-9-22(17)32-25-23(24(31)29-14-12-27-13-15-29)19-16-28-11-10-21(19)30(25)18-6-3-2-4-7-18/h2-11,16,27H,12-15H2,1H3
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n/an/a 181n/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))		BDBM50352918
PNG
(CHEMBL1824634)
Show SMILES CCCc1ccnc2n(c(Oc3c(C)cccc3C)c(C(=O)N3CCNCC3)c12)-c1ccccc1
Show InChI InChI=1S/C29H32N4O2/c1-4-9-22-14-15-31-27-24(22)25(28(34)32-18-16-30-17-19-32)29(33(27)23-12-6-5-7-13-23)35-26-20(2)10-8-11-21(26)3/h5-8,10-15,30H,4,9,16-19H2,1-3H3
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n/an/a 186n/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))		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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n/an/a 189n/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 preincubated for 30 mins foll...

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 200n/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 preincubated for 30 mins foll...

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))		BDBM50352917
PNG
(CHEMBL1824635)
Show SMILES CCCc1ccnc2n(c(Cc3cccc(F)c3C)c(C(=O)N3CCNCC3)c12)-c1ccccc1
Show InChI InChI=1S/C29H31FN4O/c1-3-8-21-13-14-32-28-26(21)27(29(35)33-17-15-31-16-18-33)25(34(28)23-10-5-4-6-11-23)19-22-9-7-12-24(30)20(22)2/h4-7,9-14,31H,3,8,15-19H2,1-2H3
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n/an/a 218n/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))		BDBM50352887
PNG
(CHEMBL1824620)
Show SMILES Cc1cccc(F)c1Oc1c(C(=O)N2CCNCC2)c2cccnc2n1-c1ccccc1
Show InChI InChI=1S/C25H23FN4O2/c1-17-7-5-11-20(26)22(17)32-25-21(24(31)29-15-13-27-14-16-29)19-10-6-12-28-23(19)30(25)18-8-3-2-4-9-18/h2-12,27H,13-16H2,1H3
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n/an/a 231n/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))		BDBM50352899
PNG
(CHEMBL1824899)
Show SMILES COc1cc2n(C3CCCCC3)c(Cc3cccc(F)c3C)c(C(=O)N3CCN[C@@H](C)C3)c2cn1 |r|
Show InChI InChI=1S/C28H35FN4O2/c1-18-17-32(13-12-30-18)28(34)27-22-16-31-26(35-3)15-24(22)33(21-9-5-4-6-10-21)25(27)14-20-8-7-11-23(29)19(20)2/h7-8,11,15-16,18,21,30H,4-6,9-10,12-14,17H2,1-3H3/t18-/m0/s1
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n/an/a 320n/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))		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 328n/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 preincubated for 30 mins foll...

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))		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 364n/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 preincubated for 30 mins foll...

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))		BDBM50352929
PNG
(CHEMBL1824621)
Show SMILES Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2cccnc2n1-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)20-8-5-11-28-23(20)30(25)19-6-3-2-4-7-19/h2-11,16,27H,12-15H2,1H3
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n/an/a 396n/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))		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 410n/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 preincubated for 30 mins foll...

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))		BDBM50352927
PNG
(CHEMBL1824623)
Show SMILES Cc1c(F)cc(F)cc1Oc1c(C(=O)N2CCNCC2)c2cccnc2n1-c1ccccc1
Show InChI InChI=1S/C25H22F2N4O2/c1-16-20(27)14-17(26)15-21(16)33-25-22(24(32)30-12-10-28-11-13-30)19-8-5-9-29-23(19)31(25)18-6-3-2-4-7-18/h2-9,14-15,28H,10-13H2,1H3
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n/an/a 504n/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))		BDBM50352911
PNG
(CHEMBL1824641)
Show SMILES Cc1ccccc1Cc1c(C(=O)N2CCNCC2)c2cnccc2n1-c1ccccc1
Show InChI InChI=1S/C26H26N4O/c1-19-7-5-6-8-20(19)17-24-25(26(31)29-15-13-27-14-16-29)22-18-28-12-11-23(22)30(24)21-9-3-2-4-10-21/h2-12,18,27H,13-17H2,1H3
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n/an/a 520n/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))		BDBM50352913
PNG
(CHEMBL1824639)
Show SMILES Cc1c(F)cc(F)cc1Oc1c(C(=O)N2CCNCC2)c2cnccc2n1-c1ccccc1
Show InChI InChI=1S/C25H22F2N4O2/c1-16-20(27)13-17(26)14-22(16)33-25-23(24(32)30-11-9-28-10-12-30)19-15-29-8-7-21(19)31(25)18-5-3-2-4-6-18/h2-8,13-15,28H,9-12H2,1H3
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n/an/a 650n/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))		BDBM50352916
PNG
(CHEMBL1824636)
Show SMILES Cc1ccccc1Oc1c(C(=O)N2CCNCC2)c2cnccc2n1-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)20-17-27-12-11-21(20)29(25)19-8-3-2-4-9-19/h2-12,17,26H,13-16H2,1H3
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n/an/a 847n/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))		BDBM50352895
PNG
(CHEMBL1824903)
Show SMILES Cc1c(F)cccc1Cc1c(C(=O)N2CCN[C@@H](CO)C2)c2c[nH]c(=O)cc2n1C1CCCCC1 |r|
Show InChI InChI=1S/C27H33FN4O3/c1-17-18(6-5-9-22(17)28)12-24-26(27(35)31-11-10-29-19(15-31)16-33)21-14-30-25(34)13-23(21)32(24)20-7-3-2-4-8-20/h5-6,9,13-14,19-20,29,33H,2-4,7-8,10-12,15-16H2,1H3,(H,30,34)/t19-/m1/s1
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n/an/a 1.10E+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
Renin


(Homo sapiens (Human))		BDBM50352921
PNG
(CHEMBL1824631)
Show SMILES CCc1ccnc2n(c(Oc3cc(F)ccc3C)c(C(=O)N3CCNCC3)c12)-c1ccccc1
Show InChI InChI=1S/C27H27FN4O2/c1-3-19-11-12-30-25-23(19)24(26(33)31-15-13-29-14-16-31)27(32(25)21-7-5-4-6-8-21)34-22-17-20(28)10-9-18(22)2/h4-12,17,29H,3,13-16H2,1-2H3
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n/an/a 1.23E+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
Renin


(Homo sapiens (Human))		BDBM50352890
PNG
(CHEMBL1824617)
Show SMILES O=C(N1CCNCC1)c1c(Oc2ccccc2)n(-c2ccccc2)c2ncccc12
Show InChI InChI=1S/C24H22N4O2/c29-23(27-16-14-25-15-17-27)21-20-12-7-13-26-22(20)28(18-8-3-1-4-9-18)24(21)30-19-10-5-2-6-11-19/h1-13,25H,14-17H2
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n/an/a 1.83E+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
Renin


(Homo sapiens (Human))		BDBM50352919
PNG
(CHEMBL1824633)
Show SMILES CCCc1ccnc2n(c(Oc3cc(F)ccc3C)c(C(=O)N3CCNCC3)c12)-c1ccccc1
Show InChI InChI=1S/C28H29FN4O2/c1-3-7-20-12-13-31-26-24(20)25(27(34)32-16-14-30-15-17-32)28(33(26)22-8-5-4-6-9-22)35-23-18-21(29)11-10-19(23)2/h4-6,8-13,18,30H,3,7,14-17H2,1-2H3
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n/an/a 1.85E+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
Renin


(Homo sapiens (Human))		BDBM50352896
PNG
(CHEMBL1824902)
Show SMILES COc1cc2n(C3CCCCC3)c(Cc3cccc(F)c3C)c(C(=O)N3CCN[C@@H](CO)C3)c2cn1 |r|
Show InChI InChI=1S/C28H35FN4O3/c1-18-19(7-6-10-23(18)29)13-25-27(28(35)32-12-11-30-20(16-32)17-34)22-15-31-26(36-2)14-24(22)33(25)21-8-4-3-5-9-21/h6-7,10,14-15,20-21,30,34H,3-5,8-9,11-13,16-17H2,1-2H3/t20-/m1/s1
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n/an/a 3.26E+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
Renin


(Homo sapiens (Human))		BDBM50352912
PNG
(CHEMBL1824640)
Show SMILES O=C(N1CCNCC1)c1c(Cc2ccccc2)n(-c2ccccc2)c2ccncc12
Show InChI InChI=1S/C25H24N4O/c30-25(28-15-13-26-14-16-28)24-21-18-27-12-11-22(21)29(20-9-5-2-6-10-20)23(24)17-19-7-3-1-4-8-19/h1-12,18,26H,13-17H2
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n/an/a 3.40E+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		3D
3D Structure (docked)
Renin


(Homo sapiens (Human))		BDBM50352897
PNG
(CHEMBL1824901)
Show SMILES COC[C@H]1CN(CCN1)C(=O)c1c(Cc2cccc(F)c2C)n(C2CCCCC2)c2cc(OC)ncc12 |r|
Show InChI InChI=1S/C29H37FN4O3/c1-19-20(8-7-11-24(19)30)14-26-28(29(35)33-13-12-31-21(17-33)18-36-2)23-16-32-27(37-3)15-25(23)34(26)22-9-5-4-6-10-22/h7-8,11,15-16,21-22,31H,4-6,9-10,12-14,17-18H2,1-3H3/t21-/m1/s1
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n/an/a 4.09E+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
Renin


(Homo sapiens (Human))		BDBM50352924
PNG
(CHEMBL1824628)
Show SMILES COc1cnc2n(c(Cc3cccc(F)c3C)c(C(=O)N3CCNCC3)c2c1)-c1ccccc1
Show InChI InChI=1S/C27H27FN4O2/c1-18-19(7-6-10-23(18)28)15-24-25(27(33)31-13-11-29-12-14-31)22-16-21(34-2)17-30-26(22)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 4.67E+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
Renin


(Homo sapiens (Human))		BDBM50352888
PNG
(CHEMBL1824619)
Show SMILES Fc1ccccc1Oc1c(C(=O)N2CCNCC2)c2cccnc2n1-c1ccccc1
Show InChI InChI=1S/C24H21FN4O2/c25-19-10-4-5-11-20(19)31-24-21(23(30)28-15-13-26-14-16-28)18-9-6-12-27-22(18)29(24)17-7-2-1-3-8-17/h1-12,26H,13-16H2
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n/an/a 5.06E+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
Renin


(Homo sapiens (Human))		BDBM50352926
PNG
(CHEMBL1824624)
Show SMILES O=C(N1CCNCC1)c1c(Cc2ccccc2)n(-c2ccccc2)c2ncccc12
Show InChI InChI=1S/C25H24N4O/c30-25(28-16-14-26-15-17-28)23-21-12-7-13-27-24(21)29(20-10-5-2-6-11-20)22(23)18-19-8-3-1-4-9-19/h1-13,26H,14-18H2
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n/an/a 6.41E+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
* indicates data uncertainty>20%