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Compile Data Set for Download or QSAR

Found 487 hits with Last Name = 'tamaki' and Initial = 'k'   
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))
BDBM50434413
PNG
(CHEMBL2387447)
Show SMILES CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)NCC(C)(C)C |r|
Show InChI InChI=1S/C25H41ClN4O3/c1-7-17(23(33)28-15-24(2,3)4)12-21(31)19(27)13-29-14-22(32)30(16-25(29,5)6)20-11-9-8-10-18(20)26/h8-11,17,19,21,31H,7,12-16,27H2,1-6H3,(H,28,33)/t17-,19+,21+/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434435
PNG
(CHEMBL2387557)
Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)Nc1ccc(F)cn1 |r|
Show InChI InChI=1S/C26H35ClFN5O3/c1-16(2)18(25(36)31-23-10-9-17(28)12-30-23)11-22(34)20(29)13-32-14-24(35)33(15-26(32,3)4)21-8-6-5-7-19(21)27/h5-10,12,16,18,20,22,34H,11,13-15,29H2,1-4H3,(H,30,31,36)/t18-,20-,22-/m0/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50392953
PNG
(CHEMBL2152353)
Show SMILES CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)NC1C2CC3CC1CC(O)(C3)C2 |r,wU:4.4,2.2,wD:6.6,TLB:38:35:28.29.30:32,36:35:28:30.31.32,27:28:34.38.35:30.31.32,27:28:32:34.35.37,THB:38:29:32:34.35.37,37:35:28:30.31.32,37:31:28:34.38.35,(13.51,-6.54,;12.17,-7.31,;12.17,-8.85,;10.84,-9.62,;9.51,-8.85,;9.51,-7.31,;8.17,-9.62,;6.84,-8.85,;8.17,-11.16,;6.84,-11.93,;5.5,-11.17,;4.16,-11.94,;2.83,-11.17,;4.18,-13.47,;5.51,-14.24,;6.84,-13.48,;7.61,-14.81,;8.38,-13.48,;2.85,-14.25,;1.51,-13.49,;.18,-14.26,;.18,-15.8,;1.52,-16.57,;2.85,-15.8,;4.19,-16.57,;13.51,-9.62,;13.51,-11.16,;14.84,-8.86,;16.17,-9.63,;17.67,-9.21,;17.67,-7.62,;18.71,-6.39,;17.36,-6.87,;17.37,-8.35,;18.7,-8.84,;20.09,-8.5,;21.42,-9.26,;20.1,-6.97,;19.08,-9.77,)|
Show InChI InChI=1S/C30H45ClN4O4/c1-4-19(28(38)33-27-20-9-18-10-21(27)14-30(39,12-18)13-20)11-25(36)23(32)15-34-16-26(37)35(17-29(34,2)3)24-8-6-5-7-22(24)31/h5-8,18-21,23,25,27,36,39H,4,9-17,32H2,1-3H3,(H,33,38)/t18?,19-,20?,21?,23+,25+,27?,30?/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin compound treated for 10 mins before substrate addition measured after 90 mins by fluorescence method


ACS Med Chem Lett 3: 754-758 (2012)


Article DOI: 10.1021/ml300168e
BindingDB Entry DOI: 10.7270/Q29S1S41
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434425
PNG
(CHEMBL2387567)
Show SMILES CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:4.4,2.2,28.29,wD:6.6,35.38,TLB:27:28:38.34.35:32.31.30,27:28:30:38.35.37,36:35:28:32.31.30,THB:34:33:30:38.35.37,34:35:28.33.32:30,37:35:28:32.31.30,37:31:28:38.34.35,(14.26,-52.83,;12.92,-53.6,;12.92,-55.14,;11.59,-55.9,;10.25,-55.13,;10.26,-53.59,;8.92,-55.9,;7.59,-55.13,;8.92,-57.44,;7.58,-58.21,;6.25,-57.44,;4.91,-58.21,;3.57,-57.44,;4.92,-59.75,;6.25,-60.52,;7.58,-59.75,;9.06,-60.14,;7.97,-61.23,;3.58,-60.53,;2.24,-59.76,;.92,-60.53,;.91,-62.08,;2.25,-62.85,;3.58,-62.08,;4.92,-62.85,;14.25,-55.91,;14.25,-57.45,;15.59,-55.14,;16.92,-55.91,;18.12,-54.64,;18.11,-53.15,;19.46,-52.67,;18.42,-53.9,;18.42,-55.49,;19.83,-56.06,;20.84,-54.78,;22.17,-55.55,;20.85,-53.25,;19.45,-55.13,)|
Show InChI InChI=1S/C30H45ClN4O4/c1-4-19(28(38)33-27-20-9-18-10-21(27)14-30(39,12-18)13-20)11-25(36)23(32)15-34-16-26(37)35(17-29(34,2)3)24-8-6-5-7-22(24)31/h5-8,18-21,23,25,27,36,39H,4,9-17,32H2,1-3H3,(H,33,38)/t18?,19-,20?,21?,23+,25+,27-,30-/m1/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50387262
PNG
(CHEMBL2048702)
Show SMILES CCCCNC(=O)[C@@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(C)C |r|
Show InChI InChI=1S/C25H41ClN4O3/c1-6-7-12-28-24(33)18(17(2)3)13-22(31)20(27)14-29-15-23(32)30(16-25(29,4)5)21-11-9-8-10-19(21)26/h8-11,17-18,20,22,31H,6-7,12-16,27H2,1-5H3,(H,28,33)/t18-,20-,22-/m0/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human purified renin


Bioorg Med Chem Lett 22: 4561-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.092
BindingDB Entry DOI: 10.7270/Q2BK1DD9
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434429
PNG
(CHEMBL2387563)
Show SMILES CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)NCC(CC)(CC)CO |r|
Show InChI InChI=1S/C27H45ClN4O4/c1-6-19(25(36)30-16-27(7-2,8-3)18-33)13-23(34)21(29)14-31-15-24(35)32(17-26(31,4)5)22-12-10-9-11-20(22)28/h9-12,19,21,23,33-34H,6-8,13-18,29H2,1-5H3,(H,30,36)/t19-,21+,23+/m1/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50387262
PNG
(CHEMBL2048702)
Show SMILES CCCCNC(=O)[C@@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(C)C |r|
Show InChI InChI=1S/C25H41ClN4O3/c1-6-7-12-28-24(33)18(17(2)3)13-22(31)20(27)14-29-15-23(32)30(16-25(29,4)5)21-11-9-8-10-19(21)26/h8-11,17-18,20,22,31H,6-7,12-16,27H2,1-5H3,(H,28,33)/t18-,20-,22-/m0/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434434
PNG
(CHEMBL2387558)
Show SMILES CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)Nc1ccc(F)cn1 |r|
Show InChI InChI=1S/C25H33ClFN5O3/c1-4-16(24(35)30-22-10-9-17(27)12-29-22)11-21(33)19(28)13-31-14-23(34)32(15-25(31,2)3)20-8-6-5-7-18(20)26/h5-10,12,16,19,21,33H,4,11,13-15,28H2,1-3H3,(H,29,30,35)/t16-,19+,21+/m1/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50387263
PNG
(CHEMBL2048703)
Show SMILES CC[C@H](C)CNC(=O)[C@@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(C)C |r|
Show InChI InChI=1S/C26H43ClN4O3/c1-7-18(4)13-29-25(34)19(17(2)3)12-23(32)21(28)14-30-15-24(33)31(16-26(30,5)6)22-11-9-8-10-20(22)27/h8-11,17-19,21,23,32H,7,12-16,28H2,1-6H3,(H,29,34)/t18-,19-,21-,23-/m0/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human purified renin


Bioorg Med Chem Lett 22: 4561-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.092
BindingDB Entry DOI: 10.7270/Q2BK1DD9
More data for this
Ligand-Target Pair
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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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))
BDBM50434412
PNG
(CHEMBL2387448)
Show SMILES C[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)NCC(C)(C)C |r|
Show InChI InChI=1S/C24H39ClN4O3/c1-16(22(32)27-14-23(2,3)4)11-20(30)18(26)12-28-13-21(31)29(15-24(28,5)6)19-10-8-7-9-17(19)25/h7-10,16,18,20,30H,11-15,26H2,1-6H3,(H,27,32)/t16-,18+,20+/m1/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50387264
PNG
(CHEMBL2048704)
Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)NC1CCCCC1 |r|
Show InChI InChI=1S/C27H43ClN4O3/c1-18(2)20(26(35)30-19-10-6-5-7-11-19)14-24(33)22(29)15-31-16-25(34)32(17-27(31,3)4)23-13-9-8-12-21(23)28/h8-9,12-13,18-20,22,24,33H,5-7,10-11,14-17,29H2,1-4H3,(H,30,35)/t20-,22-,24-/m0/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human purified renin


Bioorg Med Chem Lett 22: 4561-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.092
BindingDB Entry DOI: 10.7270/Q2BK1DD9
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434414
PNG
(CHEMBL2387446)
Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)NCC(C)(C)C |r|
Show InChI InChI=1S/C26H43ClN4O3/c1-17(2)18(24(34)29-15-25(3,4)5)12-22(32)20(28)13-30-14-23(33)31(16-26(30,6)7)21-11-9-8-10-19(21)27/h8-11,17-18,20,22,32H,12-16,28H2,1-7H3,(H,29,34)/t18-,20-,22-/m0/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434428
PNG
(CHEMBL2387564)
Show SMILES CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)NCC1(CO)CCCC1 |r|
Show InChI InChI=1S/C27H43ClN4O4/c1-4-19(25(36)30-16-27(18-33)11-7-8-12-27)13-23(34)21(29)14-31-15-24(35)32(17-26(31,2)3)22-10-6-5-9-20(22)28/h5-6,9-10,19,21,23,33-34H,4,7-8,11-18,29H2,1-3H3,(H,30,36)/t19-,21+,23+/m1/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434411
PNG
(CHEMBL2387449)
Show SMILES C[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1cc(F)ccc1C)C(=O)NCC(C)(C)C |r|
Show InChI InChI=1S/C25H41FN4O3/c1-16-8-9-18(26)11-20(16)30-15-25(6,7)29(13-22(30)32)12-19(27)21(31)10-17(2)23(33)28-14-24(3,4)5/h8-9,11,17,19,21,31H,10,12-15,27H2,1-7H3,(H,28,33)/t17-,19+,21+/m1/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
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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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))
BDBM50434427
PNG
(CHEMBL2387565)
Show SMILES CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)NCC1(CO)CCCCC1 |r|
Show InChI InChI=1S/C28H45ClN4O4/c1-4-20(26(37)31-17-28(19-34)12-8-5-9-13-28)14-24(35)22(30)15-32-16-25(36)33(18-27(32,2)3)23-11-7-6-10-21(23)29/h6-7,10-11,20,22,24,34-35H,4-5,8-9,12-19,30H2,1-3H3,(H,31,37)/t20-,22+,24+/m1/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434423
PNG
(CHEMBL2387569)
Show SMILES CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)N[C@H]1C2CC3CC1C[C@@](O)(C3)C2 |r,wU:4.4,2.2,28.29,35.38,wD:6.6,TLB:32:33:38:30.31.37,32:31:28.33.34:38,36:35:28:30.32.31,THB:27:28:30.32.31:34.35.38,27:28:38:30.31.37,37:31:28:34.35.38,37:35:28:30.32.31,(14.52,-3.69,;13.18,-4.46,;13.18,-6,;11.84,-6.77,;10.51,-5.99,;10.51,-4.45,;9.18,-6.76,;7.84,-5.99,;9.17,-8.3,;7.84,-9.07,;6.5,-8.3,;5.16,-9.07,;3.83,-8.31,;5.17,-10.61,;6.51,-11.38,;7.83,-10.61,;9.32,-11.01,;8.23,-12.09,;3.84,-11.39,;2.5,-10.62,;1.17,-11.4,;1.17,-12.94,;2.5,-13.71,;3.84,-12.94,;5.18,-13.71,;14.51,-6.77,;14.51,-8.31,;15.85,-6,;17.18,-6.77,;18.38,-5.5,;19.7,-5.99,;21.1,-5.64,;20.09,-6.92,;18.68,-6.35,;18.68,-4.76,;19.71,-3.53,;19.7,-1.99,;21.11,-4.11,;18.37,-4.01,)|
Show InChI InChI=1S/C30H45ClN4O4/c1-4-19(28(38)33-27-20-9-18-10-21(27)14-30(39,12-18)13-20)11-25(36)23(32)15-34-16-26(37)35(17-29(34,2)3)24-8-6-5-7-22(24)31/h5-8,18-21,23,25,27,36,39H,4,9-17,32H2,1-3H3,(H,33,38)/t18?,19-,20?,21?,23+,25+,27-,30+/m1/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434424
PNG
(CHEMBL2387568)
Show SMILES C[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:3.3,1.0,27.28,wD:5.5,34.37,TLB:26:27:37.33.34:31.30.29,26:27:29:37.34.36,35:34:27:31.30.29,THB:33:32:29:37.34.36,33:34:27.32.31:29,36:34:27:31.30.29,36:30:27:37.33.34,(36.05,-54.18,;36.05,-55.72,;34.71,-56.49,;33.38,-55.72,;33.38,-54.18,;32.04,-56.49,;30.71,-55.71,;32.04,-58.03,;30.71,-58.79,;29.37,-58.03,;28.03,-58.8,;26.7,-58.03,;28.04,-60.33,;29.38,-61.1,;30.7,-60.33,;32.19,-60.73,;31.1,-61.82,;26.7,-61.11,;25.37,-60.35,;24.04,-61.12,;24.04,-62.66,;25.37,-63.43,;26.71,-62.66,;28.04,-63.43,;37.38,-56.49,;37.38,-58.03,;38.71,-55.73,;40.05,-56.5,;41.24,-55.22,;41.23,-53.74,;42.58,-53.26,;41.54,-54.49,;41.55,-56.08,;42.95,-56.64,;43.97,-55.37,;45.29,-56.13,;43.98,-53.84,;42.57,-55.71,)|
Show InChI InChI=1S/C29H43ClN4O4/c1-17(27(37)32-26-19-9-18-10-20(26)13-29(38,11-18)12-19)8-24(35)22(31)14-33-15-25(36)34(16-28(33,2)3)23-7-5-4-6-21(23)30/h4-7,17-20,22,24,26,35,38H,8-16,31H2,1-3H3,(H,32,37)/t17-,18?,19?,20?,22+,24+,26-,29-/m1/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Macaca fascicularis)
BDBM50434421
PNG
(CHEMBL2387571)
Show SMILES CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)NC1C2CC3CC1CC(C3)(C2)C(N)=O |r,wU:4.4,2.2,wD:6.6,TLB:27:28:34.37.35:30.31.32,27:28:32:34.35.36,37:35:28.29.30:32,38:35:28:30.31.32,THB:37:29:32:34.35.36,36:35:28:30.31.32,36:31:28:34.37.35,(14.47,-18.32,;13.13,-19.09,;13.13,-20.63,;11.8,-21.4,;10.46,-20.63,;10.47,-19.09,;9.13,-21.39,;7.8,-20.62,;9.13,-22.93,;7.79,-23.7,;6.46,-22.93,;5.12,-23.7,;3.78,-22.94,;5.13,-25.24,;6.46,-26.01,;7.79,-25.24,;9.27,-25.64,;8.19,-26.73,;3.79,-26.02,;2.45,-25.26,;1.13,-26.03,;1.12,-27.57,;2.46,-28.34,;3.79,-27.57,;5.13,-28.34,;14.47,-21.4,;14.46,-22.94,;15.8,-20.63,;17.13,-21.41,;18.63,-20.99,;18.63,-19.39,;19.67,-18.17,;18.32,-18.64,;18.33,-20.13,;19.66,-20.62,;21.05,-20.27,;21.07,-18.74,;20.04,-21.55,;22.38,-21.04,;23.71,-20.27,;22.38,-22.58,)|
Show InChI InChI=1S/C31H46ClN5O4/c1-4-19(28(40)35-27-20-9-18-10-21(27)14-31(12-18,13-20)29(34)41)11-25(38)23(33)15-36-16-26(39)37(17-30(36,2)3)24-8-6-5-7-22(24)32/h5-8,18-21,23,25,27,38H,4,9-17,33H2,1-3H3,(H2,34,41)(H,35,40)/t18?,19-,20?,21?,23+,25+,27?,31?/m1/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of renin in cynomolgus monkey plasma after 1 hr by RIA


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50387274
PNG
(CHEMBL2048564)
Show SMILES COCCCOc1ccccc1N1CC(C)(C)N(C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)CC1=O |r|
Show InChI InChI=1S/C30H51N5O6/c1-20(2)21(27(38)33-18-29(3,4)28(32)39)15-24(36)22(31)16-34-17-26(37)35(19-30(34,5)6)23-11-8-9-12-25(23)41-14-10-13-40-7/h8-9,11-12,20-22,24,36H,10,13-19,31H2,1-7H3,(H2,32,39)(H,33,38)/t21-,22-,24-/m0/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human purified renin


Bioorg Med Chem Lett 22: 4561-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.092
BindingDB Entry DOI: 10.7270/Q2BK1DD9
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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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys(DABCYL)-Arg as substrate incubated for 10 mins...


Bioorg Med Chem Lett 22: 7677-82 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.103
BindingDB Entry DOI: 10.7270/Q2HD7WTK
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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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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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))
BDBM50434426
PNG
(CHEMBL2387566)
Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:5.5,3.3,29.30,wD:36.39,7.7,TLB:28:29:39.35.36:33.32.31,28:29:31:39.36.38,37:36:29:33.32.31,THB:35:34:31:39.36.38,35:36:29.34.33:31,38:36:29:33.32.31,38:32:29:39.35.36,(39.25,-40.47,;37.92,-41.24,;36.58,-40.47,;37.91,-42.78,;36.58,-43.55,;35.25,-42.78,;35.25,-41.24,;33.91,-43.55,;32.58,-42.77,;33.91,-45.09,;32.58,-45.86,;31.24,-45.09,;29.9,-45.86,;28.56,-45.09,;29.91,-47.4,;31.25,-48.16,;32.57,-47.39,;34.05,-47.79,;32.97,-48.88,;28.57,-48.17,;27.24,-47.41,;25.91,-48.18,;25.91,-49.72,;27.24,-50.5,;28.58,-49.72,;29.91,-50.49,;39.25,-43.55,;39.25,-45.09,;40.58,-42.79,;41.92,-43.55,;43.12,-42.28,;43.11,-40.79,;44.45,-40.31,;43.41,-41.55,;43.41,-43.13,;44.83,-43.7,;45.83,-42.42,;47.28,-42.94,;45.85,-40.89,;44.44,-42.77,)|
Show InChI InChI=1S/C31H47ClN4O4/c1-18(2)22(29(39)34-28-20-9-19-10-21(28)14-31(40,12-19)13-20)11-26(37)24(33)15-35-16-27(38)36(17-30(35,3)4)25-8-6-5-7-23(25)32/h5-8,18-22,24,26,28,37,40H,9-17,33H2,1-4H3,(H,34,39)/t19?,20?,21?,22-,24-,26-,28-,31-/m0/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434421
PNG
(CHEMBL2387571)
Show SMILES CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)NC1C2CC3CC1CC(C3)(C2)C(N)=O |r,wU:4.4,2.2,wD:6.6,TLB:27:28:34.37.35:30.31.32,27:28:32:34.35.36,37:35:28.29.30:32,38:35:28:30.31.32,THB:37:29:32:34.35.36,36:35:28:30.31.32,36:31:28:34.37.35,(14.47,-18.32,;13.13,-19.09,;13.13,-20.63,;11.8,-21.4,;10.46,-20.63,;10.47,-19.09,;9.13,-21.39,;7.8,-20.62,;9.13,-22.93,;7.79,-23.7,;6.46,-22.93,;5.12,-23.7,;3.78,-22.94,;5.13,-25.24,;6.46,-26.01,;7.79,-25.24,;9.27,-25.64,;8.19,-26.73,;3.79,-26.02,;2.45,-25.26,;1.13,-26.03,;1.12,-27.57,;2.46,-28.34,;3.79,-27.57,;5.13,-28.34,;14.47,-21.4,;14.46,-22.94,;15.8,-20.63,;17.13,-21.41,;18.63,-20.99,;18.63,-19.39,;19.67,-18.17,;18.32,-18.64,;18.33,-20.13,;19.66,-20.62,;21.05,-20.27,;21.07,-18.74,;20.04,-21.55,;22.38,-21.04,;23.71,-20.27,;22.38,-22.58,)|
Show InChI InChI=1S/C31H46ClN5O4/c1-4-19(28(40)35-27-20-9-18-10-21(27)14-31(12-18,13-20)29(34)41)11-25(38)23(33)15-36-16-26(39)37(17-30(36,2)3)24-8-6-5-7-22(24)32/h5-8,18-21,23,25,27,38H,4,9-17,33H2,1-3H3,(H2,34,41)(H,35,40)/t18?,19-,20?,21?,23+,25+,27?,31?/m1/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50387268
PNG
(CHEMBL2048571)
Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)NCC(C)(C)C(N)=O |r|
Show InChI InChI=1S/C26H42ClN5O4/c1-16(2)17(23(35)30-14-25(3,4)24(29)36)11-21(33)19(28)12-31-13-22(34)32(15-26(31,5)6)20-10-8-7-9-18(20)27/h7-10,16-17,19,21,33H,11-15,28H2,1-6H3,(H2,29,36)(H,30,35)/t17-,19-,21-/m0/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Renin


(Homo sapiens (Human))
BDBM50387268
PNG
(CHEMBL2048571)
Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)NCC(C)(C)C(N)=O |r|
Show InChI InChI=1S/C26H42ClN5O4/c1-16(2)17(23(35)30-14-25(3,4)24(29)36)11-21(33)19(28)12-31-13-22(34)32(15-26(31,5)6)20-10-8-7-9-18(20)27/h7-10,16-17,19,21,33H,11-15,28H2,1-6H3,(H2,29,36)(H,30,35)/t17-,19-,21-/m0/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human purified renin


Bioorg Med Chem Lett 22: 4561-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.092
BindingDB Entry DOI: 10.7270/Q2BK1DD9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Renin


(Homo sapiens (Human))
BDBM50387280
PNG
(CHEMBL2046465)
Show SMILES COCOc1ccccc1N1CC(C)(C)N(C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)CC1=O |r|
Show InChI InChI=1S/C28H47N5O6/c1-18(2)19(25(36)31-15-27(3,4)26(30)37)12-22(34)20(29)13-32-14-24(35)33(16-28(32,5)6)21-10-8-9-11-23(21)39-17-38-7/h8-11,18-20,22,34H,12-17,29H2,1-7H3,(H2,30,37)(H,31,36)/t19-,20-,22-/m0/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human purified renin


Bioorg Med Chem Lett 22: 4561-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.092
BindingDB Entry DOI: 10.7270/Q2BK1DD9
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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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))
BDBM50387257
PNG
(CHEMBL2048706)
Show SMILES CC[C@H](C)CNC(=O)[C@@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1cc(F)ccc1Cl)C(C)C |r|
Show InChI InChI=1S/C26H42ClFN4O3/c1-7-17(4)12-30-25(35)19(16(2)3)11-23(33)21(29)13-31-14-24(34)32(15-26(31,5)6)22-10-18(28)8-9-20(22)27/h8-10,16-17,19,21,23,33H,7,11-15,29H2,1-6H3,(H,30,35)/t17-,19-,21-,23-/m0/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human purified renin


Bioorg Med Chem Lett 22: 4561-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.092
BindingDB Entry DOI: 10.7270/Q2BK1DD9
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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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of renin in cynomolgus monkey plasma after 60 mins by competitive radioimmunoassay


Bioorg Med Chem Lett 22: 7677-82 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.103
BindingDB Entry DOI: 10.7270/Q2HD7WTK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434419
PNG
(CHEMBL2387573)
Show SMILES CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1cc(F)ccc1Cl)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:4.4,2.2,29.30,wD:6.6,36.39,TLB:28:29:39.35.36:33.32.31,28:29:31:39.36.38,37:36:29:33.32.31,THB:35:34:31:39.36.38,35:36:29.34.33:31,37:36:29.34.33:31,38:36:29:33.32.31,38:32:29:39.35.36,(16.54,-32.48,;15.2,-33.24,;15.2,-34.78,;13.87,-35.55,;12.53,-34.78,;12.54,-33.24,;11.2,-35.55,;9.87,-34.78,;11.2,-37.09,;9.86,-37.86,;8.52,-37.09,;7.19,-37.86,;5.85,-37.09,;7.2,-39.4,;8.53,-40.17,;9.85,-39.4,;11.34,-39.79,;10.25,-40.88,;5.86,-40.17,;4.52,-39.41,;3.19,-40.18,;1.86,-39.41,;3.19,-41.73,;4.53,-42.5,;5.86,-41.72,;7.2,-42.49,;16.53,-35.56,;16.53,-37.1,;17.87,-34.79,;19.2,-35.56,;20.4,-34.28,;20.39,-32.8,;21.74,-32.32,;20.7,-33.55,;20.7,-35.14,;22.11,-35.7,;23.12,-34.43,;24.2,-35.51,;23.13,-32.9,;21.73,-34.77,)|
Show InChI InChI=1S/C30H44ClFN4O4/c1-4-18(28(39)34-27-19-7-17-8-20(27)13-30(40,11-17)12-19)9-25(37)23(33)14-35-15-26(38)36(16-29(35,2)3)24-10-21(32)5-6-22(24)31/h5-6,10,17-20,23,25,27,37,40H,4,7-9,11-16,33H2,1-3H3,(H,34,39)/t17?,18-,19?,20?,23+,25+,27-,30-/m1/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434448
PNG
(CHEMBL2387544)
Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:5.5,3.3,29.30,wD:7.7,32.34,(38.68,-25.48,;37.35,-26.25,;36.01,-25.48,;37.34,-27.79,;36.01,-28.56,;34.68,-27.79,;34.68,-26.25,;33.34,-28.56,;32.01,-27.78,;33.34,-30.1,;32.01,-30.86,;30.67,-30.09,;29.33,-30.87,;27.99,-30.1,;29.34,-32.4,;30.68,-33.17,;32,-32.4,;33.48,-32.8,;32.4,-33.89,;28,-33.18,;26.67,-32.42,;25.34,-33.19,;25.34,-34.73,;26.67,-35.5,;28.01,-34.73,;29.34,-35.5,;38.68,-28.56,;38.68,-30.1,;40.01,-27.8,;41.34,-28.57,;42.67,-27.79,;44,-28.57,;44,-30.11,;45.33,-30.89,;42.66,-30.87,;41.33,-30.1,)|
Show InChI InChI=1S/C27H43ClN4O4/c1-17(2)20(26(36)30-18-9-11-19(33)12-10-18)13-24(34)22(29)14-31-15-25(35)32(16-27(31,3)4)23-8-6-5-7-21(23)28/h5-8,17-20,22,24,33-34H,9-16,29H2,1-4H3,(H,30,36)/t18-,19-,20-,22-,24-/m0/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434446
PNG
(CHEMBL2387546)
Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C27H37ClN4O3/c1-18(2)20(26(35)30-19-10-6-5-7-11-19)14-24(33)22(29)15-31-16-25(34)32(17-27(31,3)4)23-13-9-8-12-21(23)28/h5-13,18,20,22,24,33H,14-17,29H2,1-4H3,(H,30,35)/t20-,22-,24-/m0/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434441
PNG
(CHEMBL2387551)
Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)Nc1ccc(F)cc1 |r|
Show InChI InChI=1S/C27H36ClFN4O3/c1-17(2)20(26(36)31-19-11-9-18(29)10-12-19)13-24(34)22(30)14-32-15-25(35)33(16-27(32,3)4)23-8-6-5-7-21(23)28/h5-12,17,20,22,24,34H,13-16,30H2,1-4H3,(H,31,36)/t20-,22-,24-/m0/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434438
PNG
(CHEMBL2387554)
Show SMILES CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)Nc1ccc(OC)cc1 |r|
Show InChI InChI=1S/C27H37ClN4O4/c1-5-18(26(35)30-19-10-12-20(36-4)13-11-19)14-24(33)22(29)15-31-16-25(34)32(17-27(31,2)3)23-9-7-6-8-21(23)28/h6-13,18,22,24,33H,5,14-17,29H2,1-4H3,(H,30,35)/t18-,22+,24+/m1/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434416
PNG
(CHEMBL2387444)
Show SMILES CC(C)CNC(=O)[C@@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(C)C |r|
Show InChI InChI=1S/C25H41ClN4O3/c1-16(2)12-28-24(33)18(17(3)4)11-22(31)20(27)13-29-14-23(32)30(15-25(29,5)6)21-10-8-7-9-19(21)26/h7-10,16-18,20,22,31H,11-15,27H2,1-6H3,(H,28,33)/t18-,20-,22-/m0/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
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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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))
BDBM17950
PNG
((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)
Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin compound treated for 10 mins before substrate addition measured after 90 mins by fluorescence method


ACS Med Chem Lett 3: 754-758 (2012)


Article DOI: 10.1021/ml300168e
BindingDB Entry DOI: 10.7270/Q29S1S41
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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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 recombinant human renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys(DABCYL)-Arg as substrate incubated for 10 mins...


Bioorg Med Chem Lett 22: 7677-82 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.103
BindingDB Entry DOI: 10.7270/Q2HD7WTK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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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))
BDBM50434440
PNG
(CHEMBL2387552)
Show SMILES CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)Nc1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H34ClFN4O3/c1-4-17(25(35)30-19-11-9-18(28)10-12-19)13-23(33)21(29)14-31-15-24(34)32(16-26(31,2)3)22-8-6-5-7-20(22)27/h5-12,17,21,23,33H,4,13-16,29H2,1-3H3,(H,30,35)/t17-,21+,23+/m1/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434417
PNG
(CHEMBL2387575)
Show SMILES CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1cc(F)ccc1C)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:4.4,2.2,29.30,wD:6.6,36.39,TLB:28:29:39.35.36:33.32.31,28:29:31:39.36.38,37:36:29:33.32.31,THB:35:34:31:39.36.38,35:36:29.34.33:31,37:36:29.34.33:31,38:36:29:33.32.31,38:32:29:39.35.36,(15.69,-45.87,;14.36,-46.64,;14.35,-48.18,;13.02,-48.95,;11.69,-48.17,;11.69,-46.63,;10.35,-48.94,;9.02,-48.17,;10.35,-50.48,;9.01,-51.25,;7.68,-50.48,;6.34,-51.25,;5,-50.49,;6.35,-52.79,;7.68,-53.56,;9.01,-52.79,;10.49,-53.19,;9.41,-54.27,;5.01,-53.57,;3.68,-52.8,;2.35,-53.57,;1.01,-52.81,;2.34,-55.12,;3.68,-55.89,;5.02,-55.12,;6.35,-55.89,;15.69,-48.95,;15.68,-50.49,;17.02,-48.18,;18.35,-48.95,;19.55,-47.68,;19.54,-46.19,;20.89,-45.71,;19.85,-46.94,;19.85,-48.53,;21.26,-49.1,;22.27,-47.82,;23.36,-48.91,;22.28,-46.29,;20.88,-48.17,)|
Show InChI InChI=1S/C31H47FN4O4/c1-5-20(29(39)34-28-21-8-19-9-22(28)14-31(40,12-19)13-21)10-26(37)24(33)15-35-16-27(38)36(17-30(35,3)4)25-11-23(32)7-6-18(25)2/h6-7,11,19-22,24,26,28,37,40H,5,8-10,12-17,33H2,1-4H3,(H,34,39)/t19?,20-,21?,22?,24+,26+,28-,31-/m1/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 human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434442
PNG
(CHEMBL2387550)
Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)Nc1ccncc1 |r|
Show InChI InChI=1S/C26H36ClN5O3/c1-17(2)19(25(35)30-18-9-11-29-12-10-18)13-23(33)21(28)14-31-15-24(34)32(16-26(31,3)4)22-8-6-5-7-20(22)27/h5-12,17,19,21,23,33H,13-16,28H2,1-4H3,(H,29,30,35)/t19-,21-,23-/m0/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434407
PNG
(CHEMBL2387453)
Show SMILES CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)NCC(C)(C)CO |r|
Show InChI InChI=1S/C25H41ClN4O4/c1-6-17(23(34)28-14-24(2,3)16-31)11-21(32)19(27)12-29-13-22(33)30(15-25(29,4)5)20-10-8-7-9-18(20)26/h7-10,17,19,21,31-32H,6,11-16,27H2,1-5H3,(H,28,34)/t17-,19+,21+/m1/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50387284
PNG
(CHEMBL2048570)
Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1C)C(=O)NCC(C)(C)C(N)=O |r|
Show InChI InChI=1S/C27H45N5O4/c1-17(2)19(24(35)30-15-26(4,5)25(29)36)12-22(33)20(28)13-31-14-23(34)32(16-27(31,6)7)21-11-9-8-10-18(21)3/h8-11,17,19-20,22,33H,12-16,28H2,1-7H3,(H2,29,36)(H,30,35)/t19-,20-,22-/m0/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human purified renin


Bioorg Med Chem Lett 22: 4561-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.092
BindingDB Entry DOI: 10.7270/Q2BK1DD9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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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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))
BDBM50434408
PNG
(CHEMBL2387452)
Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)NCC(C)(C)CO |r|
Show InChI InChI=1S/C26H43ClN4O4/c1-17(2)18(24(35)29-14-25(3,4)16-32)11-22(33)20(28)12-30-13-23(34)31(15-26(30,5)6)21-10-8-7-9-19(21)27/h7-10,17-18,20,22,32-33H,11-16,28H2,1-6H3,(H,29,35)/t18-,20-,22-/m0/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
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