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Compile Data Set for Download or QSAR

Found 109 hits of affinity data for UniProtKB/TrEMBL: Q6DLS0   
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


(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
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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n/an/a 1.20n/an/an/an/an/an/a



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


(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
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


(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
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


(Macaca fascicularis)
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
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 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


(Macaca fascicularis)
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
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 renin in cynomolgus monkey plasma


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)
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
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 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


(Macaca fascicularis)
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
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 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


(Macaca fascicularis)
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
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 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


(Macaca fascicularis)
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
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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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


(Macaca fascicularis)
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
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 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


(Macaca fascicularis)
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
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 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


(Macaca fascicularis)
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
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 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


(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
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


(Macaca fascicularis)
BDBM50434433
PNG
(CHEMBL2387559)
Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)Nc1ncc(F)cc1F
Show InChI InChI=1S/C26H34ClF2N5O3/c1-15(2)17(25(37)32-24-19(29)9-16(28)11-31-24)10-22(35)20(30)12-33-13-23(36)34(14-26(33,3)4)21-8-6-5-7-18(21)27/h5-9,11,15,17,20,22,35H,10,12-14,30H2,1-4H3,(H,31,32,37)/t17-,20-,22-/m0/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


(Macaca fascicularis)
BDBM50434445
PNG
(CHEMBL2387547)
Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)Nc1ccccn1
Show InChI InChI=1S/C26H36ClN5O3/c1-17(2)18(25(35)30-23-11-7-8-12-29-23)13-22(33)20(28)14-31-15-24(34)32(16-26(31,3)4)21-10-6-5-9-19(21)27/h5-12,17-18,20,22,33H,13-16,28H2,1-4H3,(H,29,30,35)/t18-,20-,22-/m0/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


(Macaca fascicularis)
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
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 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


(Macaca fascicularis)
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
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 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


(Macaca fascicularis)
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
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 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


(Macaca fascicularis)
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
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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n/an/a 3.40n/an/an/an/an/an/a



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


(Macaca fascicularis)
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
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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n/an/a 3.60n/an/an/an/an/an/a



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


(Macaca fascicularis)
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
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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n/an/a 4n/an/an/an/an/an/a



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


(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
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 4.20n/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)
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
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 4.20n/an/an/an/an/an/a



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


(Macaca fascicularis)
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
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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n/an/a 4.30n/an/an/an/an/an/a



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


(Macaca fascicularis)
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
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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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


(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
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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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
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 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


(Macaca fascicularis)
BDBM50387266
PNG
(CHEMBL2048707)
Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1cc(F)ccc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C27H42ClFN4O3/c1-17(2)20(26(36)31-19-8-6-5-7-9-19)13-24(34)22(30)14-32-15-25(35)33(16-27(32,3)4)23-12-18(29)10-11-21(23)28/h10-12,17,19-20,22,24,34H,5-9,13-16,30H2,1-4H3,(H,31,36)/t20-,22-,24-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of renin in cynomolgus monkey plasma


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)
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
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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n/an/a 5.20n/an/an/an/an/an/a



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


(Macaca fascicularis)
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
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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n/an/a 5.30n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of renin in cynomolgus monkey plasma


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)
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
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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n/an/a 6.30n/an/an/an/an/an/a



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


(Macaca fascicularis)
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
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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n/an/a 6.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cynomolgus monkey plasma renin activity after 60 mins by competitive RIA


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


(Macaca fascicularis)
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
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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n/an/a 6.40n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of renin in cynomolgus monkey plasma


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)
BDBM50434422
PNG
(CHEMBL2387570)
Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)NC12CC3CC(CC(O)(C3)C1)C2
Show InChI InChI=1S/C31H47ClN4O4/c1-19(2)22(28(39)34-30-11-20-9-21(12-30)14-31(40,13-20)17-30)10-26(37)24(33)15-35-16-27(38)36(18-29(35,3)4)25-8-6-5-7-23(25)32/h5-8,19-22,24,26,37,40H,9-18,33H2,1-4H3,(H,34,39)/t20?,21?,22-,24-,26-,30?,31?/m0/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


(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
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 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


(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
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
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
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)
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
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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n/an/a 7n/an/an/an/an/an/a



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
3D
3D Structure (crystal)
Renin


(Macaca fascicularis)
BDBM50387259
PNG
(CHEMBL2048579)
Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1cc(F)ccc1Cl)C(=O)NCC(C)(C)C(N)=O
Show InChI InChI=1S/C26H41ClFN5O4/c1-15(2)17(23(36)31-13-25(3,4)24(30)37)10-21(34)19(29)11-32-12-22(35)33(14-26(32,5)6)20-9-16(28)7-8-18(20)27/h7-9,15,17,19,21,34H,10-14,29H2,1-6H3,(H2,30,37)(H,31,36)/t17-,19-,21-/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 renin in cynomolgus monkey plasma


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)
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
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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n/an/a 7n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of renin in cynomolgus monkey plasma


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


(Macaca fascicularis)
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
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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n/an/a 7.20n/an/an/an/an/an/a



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


(Macaca fascicularis)
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
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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n/an/a 7.30n/an/an/an/an/an/a



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


(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
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 7.5n/an/an/an/an/an/a



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


(Macaca fascicularis)
BDBM50434420
PNG
(CHEMBL2387572)
Show SMILES CC(C)[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
Show InChI InChI=1S/C31H46ClFN4O4/c1-17(2)22(29(40)35-28-19-7-18-8-20(28)13-31(41,11-18)12-19)10-26(38)24(34)14-36-15-27(39)37(16-30(36,3)4)25-9-21(33)5-6-23(25)32/h5-6,9,17-20,22,24,26,28,38,41H,7-8,10-16,34H2,1-4H3,(H,35,40)/t18?,19?,20?,22-,24-,26-,28-,31-/m0/s1
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n/an/a 7.80n/an/an/an/an/an/a



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


(Macaca fascicularis)
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
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 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cynomolgus monkey plasma renin activity after 60 mins by competitive RIA


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


(Macaca fascicularis)
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
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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n/an/a 8n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of renin in cynomolgus monkey plasma


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)
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
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
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)
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
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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n/an/a 9n/an/an/an/an/an/a



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
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