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PubMed code 23886807

Compile data set for download or QSAR
Found 39 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))		BDBM50439255
PNG
(CHEMBL2419040)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)c1ccc(F)cn1 |r|
Show InChI InChI=1S/C28H37ClFN5O2/c1-18(2)11-24(23-10-9-20(30)14-32-23)33-27(37)19-12-21(15-31-13-19)35-16-26(36)34(17-28(35,3)4)25-8-6-5-7-22(25)29/h5-10,14,18-19,21,24,31H,11-13,15-17H2,1-4H3,(H,33,37)/t19-,21+,24+/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of trypsin-activated human recombinant renin using (Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys(DABCYL)-Arg) as substrate i...

Bioorg Med Chem 21: 5907-22 (2013)


Article DOI: 10.1016/j.bmc.2013.06.057
BindingDB Entry DOI: 10.7270/Q2TH8P4B
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50439253
PNG
(CHEMBL2419042)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)c1ccno1 |r|
Show InChI InChI=1S/C26H36ClN5O3/c1-17(2)11-21(23-9-10-29-35-23)30-25(34)18-12-19(14-28-13-18)32-15-24(33)31(16-26(32,3)4)22-8-6-5-7-20(22)27/h5-10,17-19,21,28H,11-16H2,1-4H3,(H,30,34)/t18-,19+,21+/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of trypsin-activated human recombinant renin using (Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys(DABCYL)-Arg) as substrate i...

Bioorg Med Chem 21: 5907-22 (2013)


Article DOI: 10.1016/j.bmc.2013.06.057
BindingDB Entry DOI: 10.7270/Q2TH8P4B
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50402219
PNG
(CHEMBL2204732)
Show SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl |r|
Show InChI InChI=1S/C26H41ClN4O3/c1-6-34-16-20(11-18(2)3)29-25(33)19-12-21(14-28-13-19)31-15-24(32)30(17-26(31,4)5)23-10-8-7-9-22(23)27/h7-10,18-21,28H,6,11-17H2,1-5H3,(H,29,33)/t19-,20+,21+/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of trypsin-activated human recombinant renin using (Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys(DABCYL)-Arg) as substrate i...

Bioorg Med Chem 21: 5907-22 (2013)


Article DOI: 10.1016/j.bmc.2013.06.057
BindingDB Entry DOI: 10.7270/Q2TH8P4B
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50439251
PNG
(CHEMBL2419045)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1cc(F)ccc1C)c1ccc(F)cn1 |r|
Show InChI InChI=1S/C29H39F2N5O2/c1-18(2)10-25(24-9-8-22(31)14-33-24)34-28(38)20-11-23(15-32-13-20)36-16-27(37)35(17-29(36,4)5)26-12-21(30)7-6-19(26)3/h6-9,12,14,18,20,23,25,32H,10-11,13,15-17H2,1-5H3,(H,34,38)/t20-,23+,25+/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of trypsin-activated human recombinant renin using (Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys(DABCYL)-Arg) as substrate i...

Bioorg Med Chem 21: 5907-22 (2013)


Article DOI: 10.1016/j.bmc.2013.06.057
BindingDB Entry DOI: 10.7270/Q2TH8P4B
More data for this
Ligand-Target Pair
Renin


(Macaca fascicularis)		BDBM50402219
PNG
(CHEMBL2204732)
Show SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl |r|
Show InChI InChI=1S/C26H41ClN4O3/c1-6-34-16-20(11-18(2)3)29-25(33)19-12-21(14-28-13-19)31-15-24(32)30(17-26(31,4)5)23-10-8-7-9-22(23)27/h7-10,18-21,28H,6,11-17H2,1-5H3,(H,29,33)/t19-,20+,21+/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cynomolgus monkey plasma renin assessed as angiotensin 1 level after 60 mins by competitive radioimmunoassay

Bioorg Med Chem 21: 5907-22 (2013)


Article DOI: 10.1016/j.bmc.2013.06.057
BindingDB Entry DOI: 10.7270/Q2TH8P4B
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50439249
PNG
(CHEMBL2419046)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)c1ccccn1 |r|
Show InChI InChI=1S/C28H38ClN5O2/c1-19(2)13-24(23-10-7-8-12-31-23)32-27(36)20-14-21(16-30-15-20)34-17-26(35)33(18-28(34,3)4)25-11-6-5-9-22(25)29/h5-12,19-21,24,30H,13-18H2,1-4H3,(H,32,36)/t20-,21+,24+/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of trypsin-activated human recombinant renin using (Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys(DABCYL)-Arg) as substrate i...

Bioorg Med Chem 21: 5907-22 (2013)


Article DOI: 10.1016/j.bmc.2013.06.057
BindingDB Entry DOI: 10.7270/Q2TH8P4B
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50402224
PNG
(CHEMBL2204739)
Show SMILES CC(C)CC(CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl |r|
Show InChI InChI=1S/C27H43ClN4O2/c1-18(2)11-21(12-19(3)4)30-26(34)20-13-22(15-29-14-20)32-16-25(33)31(17-27(32,5)6)24-10-8-7-9-23(24)28/h7-10,18-22,29H,11-17H2,1-6H3,(H,30,34)/t20-,22+/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of trypsin-activated human recombinant renin using (Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys(DABCYL)-Arg) as substrate i...

Bioorg Med Chem 21: 5907-22 (2013)


Article DOI: 10.1016/j.bmc.2013.06.057
BindingDB Entry DOI: 10.7270/Q2TH8P4B
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Renin


(Homo sapiens (Human))		BDBM50439250
PNG
(CHEMBL2419044)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1C)c1ccc(F)cn1 |r|
Show InChI InChI=1S/C29H40FN5O2/c1-19(2)12-25(24-11-10-22(30)15-32-24)33-28(37)21-13-23(16-31-14-21)35-17-27(36)34(18-29(35,4)5)26-9-7-6-8-20(26)3/h6-11,15,19,21,23,25,31H,12-14,16-18H2,1-5H3,(H,33,37)/t21-,23+,25+/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of trypsin-activated human recombinant renin using (Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys(DABCYL)-Arg) as substrate i...

Bioorg Med Chem 21: 5907-22 (2013)


Article DOI: 10.1016/j.bmc.2013.06.057
BindingDB Entry DOI: 10.7270/Q2TH8P4B
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50439254
PNG
(CHEMBL2419041)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)c1cncc(F)c1 |r|
Show InChI InChI=1S/C28H37ClFN5O2/c1-18(2)9-24(19-10-21(30)14-31-12-19)33-27(37)20-11-22(15-32-13-20)35-16-26(36)34(17-28(35,3)4)25-8-6-5-7-23(25)29/h5-8,10,12,14,18,20,22,24,32H,9,11,13,15-17H2,1-4H3,(H,33,37)/t20-,22+,24+/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of trypsin-activated human recombinant renin using (Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys(DABCYL)-Arg) as substrate i...

Bioorg Med Chem 21: 5907-22 (2013)


Article DOI: 10.1016/j.bmc.2013.06.057
BindingDB Entry DOI: 10.7270/Q2TH8P4B
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50439259
PNG
(CHEMBL2419048)
Show SMILES CC[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)c1cccc(F)c1 |r|
Show InChI InChI=1S/C27H34ClFN4O2/c1-4-23(18-8-7-9-20(29)12-18)31-26(35)19-13-21(15-30-14-19)33-16-25(34)32(17-27(33,2)3)24-11-6-5-10-22(24)28/h5-12,19,21,23,30H,4,13-17H2,1-3H3,(H,31,35)/t19-,21+,23+/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of trypsin-activated human recombinant renin using (Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys(DABCYL)-Arg) as substrate i...

Bioorg Med Chem 21: 5907-22 (2013)


Article DOI: 10.1016/j.bmc.2013.06.057
BindingDB Entry DOI: 10.7270/Q2TH8P4B
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50439252
PNG
(CHEMBL2419043)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)c1ncco1 |r|
Show InChI InChI=1S/C26H36ClN5O3/c1-17(2)11-21(25-29-9-10-35-25)30-24(34)18-12-19(14-28-13-18)32-15-23(33)31(16-26(32,3)4)22-8-6-5-7-20(22)27/h5-10,17-19,21,28H,11-16H2,1-4H3,(H,30,34)/t18-,19+,21+/m0/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of trypsin-activated human recombinant renin using (Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys(DABCYL)-Arg) as substrate i...

Bioorg Med Chem 21: 5907-22 (2013)


Article DOI: 10.1016/j.bmc.2013.06.057
BindingDB Entry DOI: 10.7270/Q2TH8P4B
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50402221
PNG
(CHEMBL2204017)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)c1ccccc1 |r|
Show InChI InChI=1S/C29H39ClN4O2/c1-20(2)14-25(21-10-6-5-7-11-21)32-28(36)22-15-23(17-31-16-22)34-18-27(35)33(19-29(34,3)4)26-13-9-8-12-24(26)30/h5-13,20,22-23,25,31H,14-19H2,1-4H3,(H,32,36)/t22-,23+,25+/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of trypsin-activated human recombinant renin using (Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys(DABCYL)-Arg) as substrate i...

Bioorg Med Chem 21: 5907-22 (2013)


Article DOI: 10.1016/j.bmc.2013.06.057
BindingDB Entry DOI: 10.7270/Q2TH8P4B
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50402223
PNG
(CHEMBL2204740)
Show SMILES CC[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)c1ccccc1 |r|
Show InChI InChI=1S/C27H35ClN4O2/c1-4-23(19-10-6-5-7-11-19)30-26(34)20-14-21(16-29-15-20)32-17-25(33)31(18-27(32,2)3)24-13-9-8-12-22(24)28/h5-13,20-21,23,29H,4,14-18H2,1-3H3,(H,30,34)/t20-,21+,23+/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of trypsin-activated human recombinant renin using (Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys(DABCYL)-Arg) as substrate i...

Bioorg Med Chem 21: 5907-22 (2013)


Article DOI: 10.1016/j.bmc.2013.06.057
BindingDB Entry DOI: 10.7270/Q2TH8P4B
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50402217
PNG
(CHEMBL2204734)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)c1cccnc1 |r|
Show InChI InChI=1S/C28H38ClN5O2/c1-19(2)12-24(20-8-7-11-30-14-20)32-27(36)21-13-22(16-31-15-21)34-17-26(35)33(18-28(34,3)4)25-10-6-5-9-23(25)29/h5-11,14,19,21-22,24,31H,12-13,15-18H2,1-4H3,(H,32,36)/t21-,22+,24+/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of trypsin-activated human recombinant renin using (Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys(DABCYL)-Arg) as substrate i...

Bioorg Med Chem 21: 5907-22 (2013)


Article DOI: 10.1016/j.bmc.2013.06.057
BindingDB Entry DOI: 10.7270/Q2TH8P4B
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50439257
PNG
(CHEMBL2419050)
Show SMILES CC[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C27H34Cl2N4O2/c1-4-23(18-8-7-9-20(28)12-18)31-26(35)19-13-21(15-30-14-19)33-16-25(34)32(17-27(33,2)3)24-11-6-5-10-22(24)29/h5-12,19,21,23,30H,4,13-17H2,1-3H3,(H,31,35)/t19-,21+,23+/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of trypsin-activated human recombinant renin using (Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys(DABCYL)-Arg) as substrate i...

Bioorg Med Chem 21: 5907-22 (2013)


Article DOI: 10.1016/j.bmc.2013.06.057
BindingDB Entry DOI: 10.7270/Q2TH8P4B
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50402220
PNG
(CHEMBL2204018)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(O)C(C)C |r|
Show InChI InChI=1S/C27H43ClN4O3/c1-17(2)11-22(25(34)18(3)4)30-26(35)19-12-20(14-29-13-19)32-15-24(33)31(16-27(32,5)6)23-10-8-7-9-21(23)28/h7-10,17-20,22,25,29,34H,11-16H2,1-6H3,(H,30,35)/t19-,20+,22+,25?/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of trypsin-activated human recombinant renin using (Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys(DABCYL)-Arg) as substrate i...

Bioorg Med Chem 21: 5907-22 (2013)


Article DOI: 10.1016/j.bmc.2013.06.057
BindingDB Entry DOI: 10.7270/Q2TH8P4B
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50439258
PNG
(CHEMBL2419049)
Show SMILES CC[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C27H34ClFN4O2/c1-4-23(18-9-11-20(29)12-10-18)31-26(35)19-13-21(15-30-14-19)33-16-25(34)32(17-27(33,2)3)24-8-6-5-7-22(24)28/h5-12,19,21,23,30H,4,13-17H2,1-3H3,(H,31,35)/t19-,21+,23+/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of trypsin-activated human recombinant renin using (Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys(DABCYL)-Arg) as substrate i...

Bioorg Med Chem 21: 5907-22 (2013)


Article DOI: 10.1016/j.bmc.2013.06.057
BindingDB Entry DOI: 10.7270/Q2TH8P4B
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50402222
PNG
(CHEMBL2204741)
Show SMILES CCC[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)c1ccccc1 |r|
Show InChI InChI=1S/C28H37ClN4O2/c1-4-10-24(20-11-6-5-7-12-20)31-27(35)21-15-22(17-30-16-21)33-18-26(34)32(19-28(33,2)3)25-14-9-8-13-23(25)29/h5-9,11-14,21-22,24,30H,4,10,15-19H2,1-3H3,(H,31,35)/t21-,22+,24+/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of trypsin-activated human recombinant renin using (Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys(DABCYL)-Arg) as substrate i...

Bioorg Med Chem 21: 5907-22 (2013)


Article DOI: 10.1016/j.bmc.2013.06.057
BindingDB Entry DOI: 10.7270/Q2TH8P4B
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50439260
PNG
(CHEMBL2419047)
Show SMILES CC[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)c1ccccc1F |r|
Show InChI InChI=1S/C27H34ClFN4O2/c1-4-23(20-9-5-7-11-22(20)29)31-26(35)18-13-19(15-30-14-18)33-16-25(34)32(17-27(33,2)3)24-12-8-6-10-21(24)28/h5-12,18-19,23,30H,4,13-17H2,1-3H3,(H,31,35)/t18-,19+,23+/m0/s1
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n/an/a 3.30n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of trypsin-activated human recombinant renin using (Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys(DABCYL)-Arg) as substrate i...

Bioorg Med Chem 21: 5907-22 (2013)


Article DOI: 10.1016/j.bmc.2013.06.057
BindingDB Entry DOI: 10.7270/Q2TH8P4B
More data for this
Ligand-Target Pair
Renin


(Macaca fascicularis)		BDBM50439253
PNG
(CHEMBL2419042)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)c1ccno1 |r|
Show InChI InChI=1S/C26H36ClN5O3/c1-17(2)11-21(23-9-10-29-35-23)30-25(34)18-12-19(14-28-13-18)32-15-24(33)31(16-26(32,3)4)22-8-6-5-7-20(22)27/h5-10,17-19,21,28H,11-16H2,1-4H3,(H,30,34)/t18-,19+,21+/m0/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cynomolgus monkey plasma renin assessed as angiotensin 1 level after 60 mins by competitive radioimmunoassay

Bioorg Med Chem 21: 5907-22 (2013)


Article DOI: 10.1016/j.bmc.2013.06.057
BindingDB Entry DOI: 10.7270/Q2TH8P4B
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50439250
PNG
(CHEMBL2419044)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1C)c1ccc(F)cn1 |r|
Show InChI InChI=1S/C29H40FN5O2/c1-19(2)12-25(24-11-10-22(30)15-32-24)33-28(37)21-13-23(16-31-14-21)35-17-27(36)34(18-29(35,4)5)26-9-7-6-8-20(26)3/h6-11,15,19,21,23,25,31H,12-14,16-18H2,1-5H3,(H,33,37)/t21-,23+,25+/m0/s1
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n/an/a 3.60n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin by competitive radioimmunoassay

Bioorg Med Chem 21: 5907-22 (2013)


Article DOI: 10.1016/j.bmc.2013.06.057
BindingDB Entry DOI: 10.7270/Q2TH8P4B
More data for this
Ligand-Target Pair
Renin


(Macaca fascicularis)		BDBM50402217
PNG
(CHEMBL2204734)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)c1cccnc1 |r|
Show InChI InChI=1S/C28H38ClN5O2/c1-19(2)12-24(20-8-7-11-30-14-20)32-27(36)21-13-22(16-31-15-21)34-17-26(35)33(18-28(34,3)4)25-10-6-5-9-23(25)29/h5-11,14,19,21-22,24,31H,12-13,15-18H2,1-4H3,(H,32,36)/t21-,22+,24+/m0/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cynomolgus monkey plasma renin assessed as angiotensin 1 level after 60 mins by competitive radioimmunoassay

Bioorg Med Chem 21: 5907-22 (2013)


Article DOI: 10.1016/j.bmc.2013.06.057
BindingDB Entry DOI: 10.7270/Q2TH8P4B
More data for this
Ligand-Target Pair
Renin


(Macaca fascicularis)		BDBM50402220
PNG
(CHEMBL2204018)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(O)C(C)C |r|
Show InChI InChI=1S/C27H43ClN4O3/c1-17(2)11-22(25(34)18(3)4)30-26(35)19-12-20(14-29-13-19)32-15-24(33)31(16-27(32,5)6)23-10-8-7-9-21(23)28/h7-10,17-20,22,25,29,34H,11-16H2,1-6H3,(H,30,35)/t19-,20+,22+,25?/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cynomolgus monkey plasma renin assessed as angiotensin 1 level after 60 mins by competitive radioimmunoassay

Bioorg Med Chem 21: 5907-22 (2013)


Article DOI: 10.1016/j.bmc.2013.06.057
BindingDB Entry DOI: 10.7270/Q2TH8P4B
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50439256
PNG
(CHEMBL2419039)
Show SMILES CC[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H34Cl2N4O2/c1-4-23(18-9-11-20(28)12-10-18)31-26(35)19-13-21(15-30-14-19)33-16-25(34)32(17-27(33,2)3)24-8-6-5-7-22(24)29/h5-12,19,21,23,30H,4,13-17H2,1-3H3,(H,31,35)/t19-,21+,23+/m0/s1
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n/an/a 5.20n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of trypsin-activated human recombinant renin using (Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys(DABCYL)-Arg) as substrate i...

Bioorg Med Chem 21: 5907-22 (2013)


Article DOI: 10.1016/j.bmc.2013.06.057
BindingDB Entry DOI: 10.7270/Q2TH8P4B
More data for this
Ligand-Target Pair
Renin


(Macaca fascicularis)		BDBM50402223
PNG
(CHEMBL2204740)
Show SMILES CC[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)c1ccccc1 |r|
Show InChI InChI=1S/C27H35ClN4O2/c1-4-23(19-10-6-5-7-11-19)30-26(34)20-14-21(16-29-15-20)32-17-25(33)31(18-27(32,2)3)24-13-9-8-12-22(24)28/h5-13,20-21,23,29H,4,14-18H2,1-3H3,(H,30,34)/t20-,21+,23+/m0/s1
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n/an/a 6.60n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cynomolgus monkey plasma renin assessed as angiotensin 1 level after 60 mins by competitive radioimmunoassay

Bioorg Med Chem 21: 5907-22 (2013)


Article DOI: 10.1016/j.bmc.2013.06.057
BindingDB Entry DOI: 10.7270/Q2TH8P4B
More data for this
Ligand-Target Pair
Renin


(Macaca fascicularis)		BDBM50439254
PNG
(CHEMBL2419041)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)c1cncc(F)c1 |r|
Show InChI InChI=1S/C28H37ClFN5O2/c1-18(2)9-24(19-10-21(30)14-31-12-19)33-27(37)20-11-22(15-32-13-20)35-16-26(36)34(17-28(35,3)4)25-8-6-5-7-23(25)29/h5-8,10,12,14,18,20,22,24,32H,9,11,13,15-17H2,1-4H3,(H,33,37)/t20-,22+,24+/m0/s1
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n/an/a 6.90n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cynomolgus monkey plasma renin assessed as angiotensin 1 level after 60 mins by competitive radioimmunoassay

Bioorg Med Chem 21: 5907-22 (2013)


Article DOI: 10.1016/j.bmc.2013.06.057
BindingDB Entry DOI: 10.7270/Q2TH8P4B
More data for this
Ligand-Target Pair
Renin


(Macaca fascicularis)		BDBM50439250
PNG
(CHEMBL2419044)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1C)c1ccc(F)cn1 |r|
Show InChI InChI=1S/C29H40FN5O2/c1-19(2)12-25(24-11-10-22(30)15-32-24)33-28(37)21-13-23(16-31-14-21)35-17-27(36)34(18-29(35,4)5)26-9-7-6-8-20(26)3/h6-11,15,19,21,23,25,31H,12-14,16-18H2,1-5H3,(H,33,37)/t21-,23+,25+/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cynomolgus monkey plasma renin assessed as angiotensin 1 level after 60 mins by competitive radioimmunoassay

Bioorg Med Chem 21: 5907-22 (2013)


Article DOI: 10.1016/j.bmc.2013.06.057
BindingDB Entry DOI: 10.7270/Q2TH8P4B
More data for this
Ligand-Target Pair
Renin


(Macaca fascicularis)		BDBM50439252
PNG
(CHEMBL2419043)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)c1ncco1 |r|
Show InChI InChI=1S/C26H36ClN5O3/c1-17(2)11-21(25-29-9-10-35-25)30-24(34)18-12-19(14-28-13-18)32-15-23(33)31(16-26(32,3)4)22-8-6-5-7-20(22)27/h5-10,17-19,21,28H,11-16H2,1-4H3,(H,30,34)/t18-,19+,21+/m0/s1
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n/an/a 8.30n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cynomolgus monkey plasma renin assessed as angiotensin 1 level after 60 mins by competitive radioimmunoassay

Bioorg Med Chem 21: 5907-22 (2013)


Article DOI: 10.1016/j.bmc.2013.06.057
BindingDB Entry DOI: 10.7270/Q2TH8P4B
More data for this
Ligand-Target Pair
Renin


(Macaca fascicularis)		BDBM50402221
PNG
(CHEMBL2204017)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)c1ccccc1 |r|
Show InChI InChI=1S/C29H39ClN4O2/c1-20(2)14-25(21-10-6-5-7-11-21)32-28(36)22-15-23(17-31-16-22)34-18-27(35)33(19-29(34,3)4)26-13-9-8-12-24(26)30/h5-13,20,22-23,25,31H,14-19H2,1-4H3,(H,32,36)/t22-,23+,25+/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cynomolgus monkey plasma renin assessed as angiotensin 1 level after 60 mins by competitive radioimmunoassay

Bioorg Med Chem 21: 5907-22 (2013)


Article DOI: 10.1016/j.bmc.2013.06.057
BindingDB Entry DOI: 10.7270/Q2TH8P4B
More data for this
Ligand-Target Pair
Renin


(Macaca fascicularis)		BDBM50439255
PNG
(CHEMBL2419040)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)c1ccc(F)cn1 |r|
Show InChI InChI=1S/C28H37ClFN5O2/c1-18(2)11-24(23-10-9-20(30)14-32-23)33-27(37)19-12-21(15-31-13-19)35-16-26(36)34(17-28(35,3)4)25-8-6-5-7-22(25)29/h5-10,14,18-19,21,24,31H,11-13,15-17H2,1-4H3,(H,33,37)/t19-,21+,24+/m0/s1
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n/an/a 9.70n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cynomolgus monkey plasma renin assessed as angiotensin 1 level after 60 mins by competitive radioimmunoassay

Bioorg Med Chem 21: 5907-22 (2013)


Article DOI: 10.1016/j.bmc.2013.06.057
BindingDB Entry DOI: 10.7270/Q2TH8P4B
More data for this
Ligand-Target Pair
Renin


(Macaca fascicularis)		BDBM50402224
PNG
(CHEMBL2204739)
Show SMILES CC(C)CC(CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl |r|
Show InChI InChI=1S/C27H43ClN4O2/c1-18(2)11-21(12-19(3)4)30-26(34)20-13-22(15-29-14-20)32-16-25(33)31(17-27(32,5)6)24-10-8-7-9-23(24)28/h7-10,18-22,29H,11-17H2,1-6H3,(H,30,34)/t20-,22+/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cynomolgus monkey plasma renin assessed as angiotensin 1 level after 60 mins by competitive radioimmunoassay

Bioorg Med Chem 21: 5907-22 (2013)


Article DOI: 10.1016/j.bmc.2013.06.057
BindingDB Entry DOI: 10.7270/Q2TH8P4B
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Renin


(Macaca fascicularis)		BDBM50439260
PNG
(CHEMBL2419047)
Show SMILES CC[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)c1ccccc1F |r|
Show InChI InChI=1S/C27H34ClFN4O2/c1-4-23(20-9-5-7-11-22(20)29)31-26(35)18-13-19(15-30-14-18)33-16-25(34)32(17-27(33,2)3)24-12-8-6-10-21(24)28/h5-12,18-19,23,30H,4,13-17H2,1-3H3,(H,31,35)/t18-,19+,23+/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cynomolgus monkey plasma renin assessed as angiotensin 1 level after 60 mins by competitive radioimmunoassay

Bioorg Med Chem 21: 5907-22 (2013)


Article DOI: 10.1016/j.bmc.2013.06.057
BindingDB Entry DOI: 10.7270/Q2TH8P4B
More data for this
Ligand-Target Pair
Renin


(Macaca fascicularis)		BDBM50439259
PNG
(CHEMBL2419048)
Show SMILES CC[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)c1cccc(F)c1 |r|
Show InChI InChI=1S/C27H34ClFN4O2/c1-4-23(18-8-7-9-20(29)12-18)31-26(35)19-13-21(15-30-14-19)33-16-25(34)32(17-27(33,2)3)24-11-6-5-10-22(24)28/h5-12,19,21,23,30H,4,13-17H2,1-3H3,(H,31,35)/t19-,21+,23+/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cynomolgus monkey plasma renin assessed as angiotensin 1 level after 60 mins by competitive radioimmunoassay

Bioorg Med Chem 21: 5907-22 (2013)


Article DOI: 10.1016/j.bmc.2013.06.057
BindingDB Entry DOI: 10.7270/Q2TH8P4B
More data for this
Ligand-Target Pair
Renin


(Macaca fascicularis)		BDBM50439251
PNG
(CHEMBL2419045)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1cc(F)ccc1C)c1ccc(F)cn1 |r|
Show InChI InChI=1S/C29H39F2N5O2/c1-18(2)10-25(24-9-8-22(31)14-33-24)34-28(38)20-11-23(15-32-13-20)36-16-27(37)35(17-29(36,4)5)26-12-21(30)7-6-19(26)3/h6-9,12,14,18,20,23,25,32H,10-11,13,15-17H2,1-5H3,(H,34,38)/t20-,23+,25+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cynomolgus monkey plasma renin assessed as angiotensin 1 level after 60 mins by competitive radioimmunoassay

Bioorg Med Chem 21: 5907-22 (2013)


Article DOI: 10.1016/j.bmc.2013.06.057
BindingDB Entry DOI: 10.7270/Q2TH8P4B
More data for this
Ligand-Target Pair
Renin


(Macaca fascicularis)		BDBM50439249
PNG
(CHEMBL2419046)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)c1ccccn1 |r|
Show InChI InChI=1S/C28H38ClN5O2/c1-19(2)13-24(23-10-7-8-12-31-23)32-27(36)20-14-21(16-30-15-20)34-17-26(35)33(18-28(34,3)4)25-11-6-5-9-22(25)29/h5-12,19-21,24,30H,13-18H2,1-4H3,(H,32,36)/t20-,21+,24+/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cynomolgus monkey plasma renin assessed as angiotensin 1 level after 60 mins by competitive radioimmunoassay

Bioorg Med Chem 21: 5907-22 (2013)


Article DOI: 10.1016/j.bmc.2013.06.057
BindingDB Entry DOI: 10.7270/Q2TH8P4B
More data for this
Ligand-Target Pair
Renin


(Macaca fascicularis)		BDBM50402222
PNG
(CHEMBL2204741)
Show SMILES CCC[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)c1ccccc1 |r|
Show InChI InChI=1S/C28H37ClN4O2/c1-4-10-24(20-11-6-5-7-12-20)31-27(35)21-15-22(17-30-16-21)33-18-26(34)32(19-28(33,2)3)25-14-9-8-13-23(25)29/h5-9,11-14,21-22,24,30H,4,10,15-19H2,1-3H3,(H,31,35)/t21-,22+,24+/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cynomolgus monkey plasma renin assessed as angiotensin 1 level after 60 mins by competitive radioimmunoassay

Bioorg Med Chem 21: 5907-22 (2013)


Article DOI: 10.1016/j.bmc.2013.06.057
BindingDB Entry DOI: 10.7270/Q2TH8P4B
More data for this
Ligand-Target Pair
Renin


(Macaca fascicularis)		BDBM50439258
PNG
(CHEMBL2419049)
Show SMILES CC[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C27H34ClFN4O2/c1-4-23(18-9-11-20(29)12-10-18)31-26(35)19-13-21(15-30-14-19)33-16-25(34)32(17-27(33,2)3)24-8-6-5-7-22(24)28/h5-12,19,21,23,30H,4,13-17H2,1-3H3,(H,31,35)/t19-,21+,23+/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cynomolgus monkey plasma renin assessed as angiotensin 1 level after 60 mins by competitive radioimmunoassay

Bioorg Med Chem 21: 5907-22 (2013)


Article DOI: 10.1016/j.bmc.2013.06.057
BindingDB Entry DOI: 10.7270/Q2TH8P4B
More data for this
Ligand-Target Pair
Renin


(Macaca fascicularis)		BDBM50439257
PNG
(CHEMBL2419050)
Show SMILES CC[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C27H34Cl2N4O2/c1-4-23(18-8-7-9-20(28)12-18)31-26(35)19-13-21(15-30-14-19)33-16-25(34)32(17-27(33,2)3)24-11-6-5-10-22(24)29/h5-12,19,21,23,30H,4,13-17H2,1-3H3,(H,31,35)/t19-,21+,23+/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cynomolgus monkey plasma renin assessed as angiotensin 1 level after 60 mins by competitive radioimmunoassay

Bioorg Med Chem 21: 5907-22 (2013)


Article DOI: 10.1016/j.bmc.2013.06.057
BindingDB Entry DOI: 10.7270/Q2TH8P4B
More data for this
Ligand-Target Pair
Renin


(Macaca fascicularis)		BDBM50439256
PNG
(CHEMBL2419039)
Show SMILES CC[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H34Cl2N4O2/c1-4-23(18-9-11-20(28)12-10-18)31-26(35)19-13-21(15-30-14-19)33-16-25(34)32(17-27(33,2)3)24-8-6-5-7-22(24)29/h5-12,19,21,23,30H,4,13-17H2,1-3H3,(H,31,35)/t19-,21+,23+/m0/s1
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n/an/a 55n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cynomolgus monkey plasma renin assessed as angiotensin 1 level after 60 mins by competitive radioimmunoassay

Bioorg Med Chem 21: 5907-22 (2013)


Article DOI: 10.1016/j.bmc.2013.06.057
BindingDB Entry DOI: 10.7270/Q2TH8P4B
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%