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PubMed code 26363506

Compile data set for download or QSAR
Found 44 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))		BDBM50131686
PNG
(CHEMBL3633135)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)Cn2cc(CCO)nn2)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C34H59N5O6.ClH/c1-23(2)26(16-25-10-11-31(44-8)32(17-25)45-15-9-14-43-7)18-29(35)30(41)19-28(24(3)4)33(42)36-21-34(5,6)22-39-20-27(12-13-40)37-38-39;/h10-11,17,20,23-24,26,28-30,40-41H,9,12-16,18-19,21-22,35H2,1-8H3,(H,36,42);1H/t26-,28-,29-,30-;/m0./s1
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n/an/a 0.700n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis

Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50131687
PNG
(CHEMBL3633134)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)Cn2cc(CO)nn2)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C33H57N5O6.ClH/c1-22(2)25(14-24-10-11-30(43-8)31(15-24)44-13-9-12-42-7)16-28(34)29(40)17-27(23(3)4)32(41)35-20-33(5,6)21-38-18-26(19-39)36-37-38;/h10-11,15,18,22-23,25,27-29,39-40H,9,12-14,16-17,19-21,34H2,1-8H3,(H,35,41);1H/t25-,27-,28-,29-;/m0./s1
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n/an/a 0.900n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis

Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50131696
PNG
(CHEMBL3633309)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)Cn2cc(CN3CCCCC3)nn2)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C38H66N6O5.ClH/c1-27(2)30(19-29-13-14-35(48-8)36(20-29)49-18-12-17-47-7)21-33(39)34(45)22-32(28(3)4)37(46)40-25-38(5,6)26-44-24-31(41-42-44)23-43-15-10-9-11-16-43;/h13-14,20,24,27-28,30,32-34,45H,9-12,15-19,21-23,25-26,39H2,1-8H3,(H,40,46);1H/t30-,32-,33-,34-;/m0./s1
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n/an/a 1n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis

Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50131685
PNG
(CHEMBL3633136)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)Cn2cc(nn2)C(C)O)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C34H59N5O6.ClH/c1-22(2)26(15-25-11-12-31(44-9)32(16-25)45-14-10-13-43-8)17-28(35)30(41)18-27(23(3)4)33(42)36-20-34(6,7)21-39-19-29(24(5)40)37-38-39;/h11-12,16,19,22-24,26-28,30,40-41H,10,13-15,17-18,20-21,35H2,1-9H3,(H,36,42);1H/t24?,26-,27-,28-,30-;/m0./s1
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n/an/a 1.10n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis

Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50131695
PNG
(CHEMBL3633310)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)Cn2cc(CN3CCOCC3)nn2)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C37H64N6O6.ClH/c1-26(2)29(18-28-10-11-34(47-8)35(19-28)49-15-9-14-46-7)20-32(38)33(44)21-31(27(3)4)36(45)39-24-37(5,6)25-43-23-30(40-41-43)22-42-12-16-48-17-13-42;/h10-11,19,23,26-27,29,31-33,44H,9,12-18,20-22,24-25,38H2,1-8H3,(H,39,45);1H/t29-,31-,32-,33-;/m0./s1
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n/an/a 1.10n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis

Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50131690
PNG
(CHEMBL3633133)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)Cn2cc(nn2)-c2ccccn2)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C37H58N6O5.ClH/c1-25(2)28(18-27-13-14-34(47-8)35(19-27)48-17-11-16-46-7)20-30(38)33(44)21-29(26(3)4)36(45)40-23-37(5,6)24-43-22-32(41-42-43)31-12-9-10-15-39-31;/h9-10,12-15,19,22,25-26,28-30,33,44H,11,16-18,20-21,23-24,38H2,1-8H3,(H,40,45);1H/t28-,29-,30-,33-;/m0./s1
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n/an/a 1.5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis

Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50130560
PNG
(CHEMBL3633102)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)Cc2ccncc2)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C35H57N3O5.ClH/c1-24(2)28(18-27-10-11-32(42-8)33(19-27)43-17-9-16-41-7)20-30(36)31(39)21-29(25(3)4)34(40)38-23-35(5,6)22-26-12-14-37-15-13-26;/h10-15,19,24-25,28-31,39H,9,16-18,20-23,36H2,1-8H3,(H,38,40);1H/t28-,29-,30-,31-;/m0./s1
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n/an/a 1.5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis

Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50130651
PNG
(CHEMBL3633127)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)Cn2cc(nn2)C2CC2)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C35H59N5O5.ClH/c1-23(2)27(16-25-10-13-32(44-8)33(17-25)45-15-9-14-43-7)18-29(36)31(41)19-28(24(3)4)34(42)37-21-35(5,6)22-40-20-30(38-39-40)26-11-12-26;/h10,13,17,20,23-24,26-29,31,41H,9,11-12,14-16,18-19,21-22,36H2,1-8H3,(H,37,42);1H/t27-,28-,29-,31-;/m0./s1
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n/an/a 1.60n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis

Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50130636
PNG
(CHEMBL3633114)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)CCN2CCOCC2)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C35H63N3O6.ClH/c1-25(2)28(20-27-10-11-32(42-8)33(21-27)44-17-9-16-41-7)22-30(36)31(39)23-29(26(3)4)34(40)37-24-35(5,6)12-13-38-14-18-43-19-15-38;/h10-11,21,25-26,28-31,39H,9,12-20,22-24,36H2,1-8H3,(H,37,40);1H/t28-,29-,30-,31-;/m0./s1
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n/an/a 1.80n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis

Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50131694
PNG
(CHEMBL3633306)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)Cn2cc(CN(C)C)nn2)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C35H62N6O5.ClH/c1-24(2)27(16-26-12-13-32(45-10)33(17-26)46-15-11-14-44-9)18-30(36)31(42)19-29(25(3)4)34(43)37-22-35(5,6)23-41-21-28(38-39-41)20-40(7)8;/h12-13,17,21,24-25,27,29-31,42H,11,14-16,18-20,22-23,36H2,1-10H3,(H,37,43);1H/t27-,29-,30-,31-;/m0./s1
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n/an/a 1.90n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis

Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50349000
PNG
(CHEMBL1807385)
Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)Cn2ccnn2)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C32H55N5O5/c1-22(2)25(16-24-10-11-29(41-8)30(17-24)42-15-9-14-40-7)18-27(33)28(38)19-26(23(3)4)31(39)34-20-32(5,6)21-37-13-12-35-36-37/h10-13,17,22-23,25-28,38H,9,14-16,18-21,33H2,1-8H3,(H,34,39)/t25-,26-,27-,28-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis

Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50131691
PNG
(CHEMBL3633307)
Show SMILES Cl.CCN(CC)Cc1cn(CC(C)(C)CNC(=O)[C@@H](C[C@H](O)[C@@H](N)C[C@H](Cc2ccc(OC)c(OCCCOC)c2)C(C)C)C(C)C)nn1 |r|
Show InChI InChI=1S/C37H66N6O5.ClH/c1-11-42(12-2)22-30-23-43(41-40-30)25-37(7,8)24-39-36(45)31(27(5)6)21-33(44)32(38)20-29(26(3)4)18-28-14-15-34(47-10)35(19-28)48-17-13-16-46-9;/h14-15,19,23,26-27,29,31-33,44H,11-13,16-18,20-22,24-25,38H2,1-10H3,(H,39,45);1H/t29-,31-,32-,33-;/m0./s1
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis

Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50130559
PNG
(CHEMBL3633101)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)Cc2cccnc2)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C35H57N3O5.ClH/c1-24(2)28(17-26-12-13-32(42-8)33(18-26)43-16-10-15-41-7)19-30(36)31(39)20-29(25(3)4)34(40)38-23-35(5,6)21-27-11-9-14-37-22-27;/h9,11-14,18,22,24-25,28-31,39H,10,15-17,19-21,23,36H2,1-8H3,(H,38,40);1H/t28-,29-,30-,31-;/m0./s1
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n/an/a 2.20n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis

Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
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 2.30n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis

Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Renin


(Homo sapiens (Human))		BDBM50130645
PNG
(CHEMBL3633122)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCc2ccccn2)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C32H51N3O5.ClH/c1-22(2)25(18-24-11-12-30(39-6)31(19-24)40-17-9-16-38-5)20-28(33)29(36)21-27(23(3)4)32(37)35-15-13-26-10-7-8-14-34-26;/h7-8,10-12,14,19,22-23,25,27-29,36H,9,13,15-18,20-21,33H2,1-6H3,(H,35,37);1H/t25-,27-,28-,29-;/m0./s1
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n/an/a 2.60n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis

Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50131689
PNG
(CHEMBL3633308)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)Cn2cc(CN(C(C)C)C(C)C)nn2)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C39H70N6O5.ClH/c1-26(2)31(18-30-14-15-36(49-12)37(19-30)50-17-13-16-48-11)20-34(40)35(46)21-33(27(3)4)38(47)41-24-39(9,10)25-44-22-32(42-43-44)23-45(28(5)6)29(7)8;/h14-15,19,22,26-29,31,33-35,46H,13,16-18,20-21,23-25,40H2,1-12H3,(H,41,47);1H/t31-,33-,34-,35-;/m0./s1
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n/an/a 2.70n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis

Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50130643
PNG
(CHEMBL3633120)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCc2ccc(OC)c(OC)c2)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C35H56N2O7.ClH/c1-23(2)27(18-26-11-13-32(42-7)34(20-26)44-17-9-16-40-5)21-29(36)30(38)22-28(24(3)4)35(39)37-15-14-25-10-12-31(41-6)33(19-25)43-8;/h10-13,19-20,23-24,27-30,38H,9,14-18,21-22,36H2,1-8H3,(H,37,39);1H/t27-,28-,29-,30-;/m0./s1
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n/an/a 4.40n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis

Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50130659
PNG
(CHEMBL3633131)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)Cn2cc(nn2)-c2ccccc2)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C38H59N5O5.ClH/c1-26(2)30(19-28-15-16-35(47-8)36(20-28)48-18-12-17-46-7)21-32(39)34(44)22-31(27(3)4)37(45)40-24-38(5,6)25-43-23-33(41-42-43)29-13-10-9-11-14-29;/h9-11,13-16,20,23,26-27,30-32,34,44H,12,17-19,21-22,24-25,39H2,1-8H3,(H,40,45);1H/t30-,31-,32-,34-;/m0./s1
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n/an/a 5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis

Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50131684
PNG
(CHEMBL3633137)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)Cn2cc(nn2)C2(O)CCCC2)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C37H63N5O6.ClH/c1-25(2)28(18-27-12-13-32(47-8)33(19-27)48-17-11-16-46-7)20-30(38)31(43)21-29(26(3)4)35(44)39-23-36(5,6)24-42-22-34(40-41-42)37(45)14-9-10-15-37;/h12-13,19,22,25-26,28-31,43,45H,9-11,14-18,20-21,23-24,38H2,1-8H3,(H,39,44);1H/t28-,29-,30-,31-;/m0./s1
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n/an/a 5.20n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis

Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50130653
PNG
(CHEMBL3633129)
Show SMILES Cl.CCCCc1cn(CC(C)(C)CNC(=O)[C@@H](C[C@H](O)[C@@H](N)C[C@H](Cc2ccc(OC)c(OCCCOC)c2)C(C)C)C(C)C)nn1 |r|
Show InChI InChI=1S/C36H63N5O5.ClH/c1-10-11-13-29-22-41(40-39-29)24-36(6,7)23-38-35(43)30(26(4)5)21-32(42)31(37)20-28(25(2)3)18-27-14-15-33(45-9)34(19-27)46-17-12-16-44-8;/h14-15,19,22,25-26,28,30-32,42H,10-13,16-18,20-21,23-24,37H2,1-9H3,(H,38,43);1H/t28-,30-,31-,32-;/m0./s1
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n/an/a 5.80n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis

Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50130652
PNG
(CHEMBL3633128)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)Cn2cc(nn2)C(C)(C)C)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C36H63N5O5.ClH/c1-24(2)27(17-26-13-14-31(45-11)32(18-26)46-16-12-15-44-10)19-29(37)30(42)20-28(25(3)4)34(43)38-22-36(8,9)23-41-21-33(39-40-41)35(5,6)7;/h13-14,18,21,24-25,27-30,42H,12,15-17,19-20,22-23,37H2,1-11H3,(H,38,43);1H/t27-,28-,29-,30-;/m0./s1
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n/an/a 7n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis

Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50130642
PNG
(CHEMBL3633119)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCc2cccc(OC)c2)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C34H54N2O6.ClH/c1-23(2)27(18-26-12-13-32(41-7)33(20-26)42-17-9-16-39-5)21-30(35)31(37)22-29(24(3)4)34(38)36-15-14-25-10-8-11-28(19-25)40-6;/h8,10-13,19-20,23-24,27,29-31,37H,9,14-18,21-22,35H2,1-7H3,(H,36,38);1H/t27-,29-,30-,31-;/m0./s1
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n/an/a 7.20n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis

Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50130637
PNG
(CHEMBL3633115)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)CCOc2ccccc2)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C37H60N2O6.ClH/c1-26(2)29(21-28-15-16-34(43-8)35(22-28)45-19-12-18-42-7)23-32(38)33(40)24-31(27(3)4)36(41)39-25-37(5,6)17-20-44-30-13-10-9-11-14-30;/h9-11,13-16,22,26-27,29,31-33,40H,12,17-21,23-25,38H2,1-8H3,(H,39,41);1H/t29-,31-,32-,33-;/m0./s1
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n/an/a 8.5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis

Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50130565
PNG
(CHEMBL3633104)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)Cc2ccccc2F)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C36H57FN2O5.ClH/c1-24(2)28(18-26-14-15-33(43-8)34(19-26)44-17-11-16-42-7)20-31(38)32(40)21-29(25(3)4)35(41)39-23-36(5,6)22-27-12-9-10-13-30(27)37;/h9-10,12-15,19,24-25,28-29,31-32,40H,11,16-18,20-23,38H2,1-8H3,(H,39,41);1H/t28-,29-,31-,32-;/m0./s1
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n/an/a 9.20n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis

Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50130629
PNG
(CHEMBL3633108)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)Cc2cccc(Cl)c2)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C36H57ClN2O5.ClH/c1-24(2)28(17-26-13-14-33(43-8)34(19-26)44-16-10-15-42-7)20-31(38)32(40)21-30(25(3)4)35(41)39-23-36(5,6)22-27-11-9-12-29(37)18-27;/h9,11-14,18-19,24-25,28,30-32,40H,10,15-17,20-23,38H2,1-8H3,(H,39,41);1H/t28-,30-,31-,32-;/m0./s1
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n/an/a 9.80n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis

Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50130598
PNG
(CHEMBL3633105)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)Cc2cccc(F)c2)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C36H57FN2O5.ClH/c1-24(2)28(17-26-13-14-33(43-8)34(19-26)44-16-10-15-42-7)20-31(38)32(40)21-30(25(3)4)35(41)39-23-36(5,6)22-27-11-9-12-29(37)18-27;/h9,11-14,18-19,24-25,28,30-32,40H,10,15-17,20-23,38H2,1-8H3,(H,39,41);1H/t28-,30-,31-,32-;/m0./s1
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n/an/a 9.80n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis

Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50130631
PNG
(CHEMBL3633110)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)Cc2ccc(OC)cc2)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C37H60N2O6.ClH/c1-25(2)29(19-28-13-16-34(44-9)35(20-28)45-18-10-17-42-7)21-32(38)33(40)22-31(26(3)4)36(41)39-24-37(5,6)23-27-11-14-30(43-8)15-12-27;/h11-16,20,25-26,29,31-33,40H,10,17-19,21-24,38H2,1-9H3,(H,39,41);1H/t29-,31-,32-,33-;/m0./s1
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n/an/a 10n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis

Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50130644
PNG
(CHEMBL3633121)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCc2ccc3OCOc3c2)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C34H52N2O7.ClH/c1-22(2)26(16-25-9-10-30(40-6)32(18-25)41-15-7-14-39-5)19-28(35)29(37)20-27(23(3)4)34(38)36-13-12-24-8-11-31-33(17-24)43-21-42-31;/h8-11,17-18,22-23,26-29,37H,7,12-16,19-21,35H2,1-6H3,(H,36,38);1H/t26-,27-,28-,29-;/m0./s1
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n/an/a 11n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis

Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50130634
PNG
(CHEMBL3633112)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)Cc2ccc3ccccc3c2)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C40H60N2O5.ClH/c1-27(2)33(20-29-15-17-37(46-8)38(22-29)47-19-11-18-45-7)23-35(41)36(43)24-34(28(3)4)39(44)42-26-40(5,6)25-30-14-16-31-12-9-10-13-32(31)21-30;/h9-10,12-17,21-22,27-28,33-36,43H,11,18-20,23-26,41H2,1-8H3,(H,42,44);1H/t33-,34-,35-,36-;/m0./s1
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n/an/a 11n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis

Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50130639
PNG
(CHEMBL3633117)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCc2ccccc2)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C33H52N2O5.ClH/c1-23(2)27(19-26-13-14-31(39-6)32(20-26)40-18-10-17-38-5)21-29(34)30(36)22-28(24(3)4)33(37)35-16-15-25-11-8-7-9-12-25;/h7-9,11-14,20,23-24,27-30,36H,10,15-19,21-22,34H2,1-6H3,(H,35,37);1H/t27-,28-,29-,30-;/m0./s1
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n/an/a 12n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis

Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50130628
PNG
(CHEMBL3633107)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)Cc2cc(F)ccc2F)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C36H56F2N2O5.ClH/c1-23(2)26(16-25-10-13-33(44-8)34(17-25)45-15-9-14-43-7)19-31(39)32(41)20-29(24(3)4)35(42)40-22-36(5,6)21-27-18-28(37)11-12-30(27)38;/h10-13,17-18,23-24,26,29,31-32,41H,9,14-16,19-22,39H2,1-8H3,(H,40,42);1H/t26-,29-,31-,32-;/m0./s1
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n/an/a 12n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis

Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50130638
PNG
(CHEMBL3633116)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCCc2ccccc2)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C34H54N2O5.ClH/c1-24(2)28(20-27-15-16-32(40-6)33(21-27)41-19-11-18-39-5)22-30(35)31(37)23-29(25(3)4)34(38)36-17-10-14-26-12-8-7-9-13-26;/h7-9,12-13,15-16,21,24-25,28-31,37H,10-11,14,17-20,22-23,35H2,1-6H3,(H,36,38);1H/t28-,29-,30-,31-;/m0./s1
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n/an/a 12n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis

Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50130630
PNG
(CHEMBL3633109)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)Cc2cccc(OC)c2)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C37H60N2O6.ClH/c1-25(2)29(18-27-14-15-34(44-9)35(20-27)45-17-11-16-42-7)21-32(38)33(40)22-31(26(3)4)36(41)39-24-37(5,6)23-28-12-10-13-30(19-28)43-8;/h10,12-15,19-20,25-26,29,31-33,40H,11,16-18,21-24,38H2,1-9H3,(H,39,41);1H/t29-,31-,32-,33-;/m0./s1
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n/an/a 12n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis

Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50131693
PNG
(CHEMBL3633132)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)Cn2cc(nn2)-c2ccc(C)cc2)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C39H61N5O5.ClH/c1-26(2)31(19-29-13-16-36(48-9)37(20-29)49-18-10-17-47-8)21-33(40)35(45)22-32(27(3)4)38(46)41-24-39(6,7)25-44-23-34(42-43-44)30-14-11-28(5)12-15-30;/h11-16,20,23,26-27,31-33,35,45H,10,17-19,21-22,24-25,40H2,1-9H3,(H,41,46);1H/t31-,32-,33-,35-;/m0./s1
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n/an/a 13n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis

Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50130633
PNG
(CHEMBL3633111)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)Cc2ccc(OC(F)(F)F)cc2)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C37H57F3N2O6.ClH/c1-24(2)28(18-27-12-15-33(46-8)34(19-27)47-17-9-16-45-7)20-31(41)32(43)21-30(25(3)4)35(44)42-23-36(5,6)22-26-10-13-29(14-11-26)48-37(38,39)40;/h10-15,19,24-25,28,30-32,43H,9,16-18,20-23,41H2,1-8H3,(H,42,44);1H/t28-,30-,31-,32-;/m0./s1
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n/an/a 13n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis

Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50130647
PNG
(CHEMBL3633124)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C33H51ClN2O5.ClH/c1-21(2)26(17-24-9-14-31(40-7)32(18-24)41-16-8-15-39-6)19-29(35)30(37)20-28(22(3)4)33(38)36-23(5)25-10-12-27(34)13-11-25;/h9-14,18,21-23,26,28-30,37H,8,15-17,19-20,35H2,1-7H3,(H,36,38);1H/t23-,26-,28-,29-,30-;/m0./s1
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n/an/a 15n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis

Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50130599
PNG
(CHEMBL3633106)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)Cc2c(F)cccc2F)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C36H56F2N2O5.ClH/c1-23(2)26(17-25-13-14-33(44-8)34(18-25)45-16-10-15-43-7)19-31(39)32(41)20-27(24(3)4)35(42)40-22-36(5,6)21-28-29(37)11-9-12-30(28)38;/h9,11-14,18,23-24,26-27,31-32,41H,10,15-17,19-22,39H2,1-8H3,(H,40,42);1H/t26-,27-,31-,32-;/m0./s1
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n/an/a 16n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis

Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50130635
PNG
(CHEMBL3633113)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)CC2CCCCC2)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C36H64N2O5.ClH/c1-25(2)29(19-28-15-16-33(42-8)34(20-28)43-18-12-17-41-7)21-31(37)32(39)22-30(26(3)4)35(40)38-24-36(5,6)23-27-13-10-9-11-14-27;/h15-16,20,25-27,29-32,39H,9-14,17-19,21-24,37H2,1-8H3,(H,38,40);1H/t29-,30-,31-,32-;/m0./s1
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n/an/a 16n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis

Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50130654
PNG
(CHEMBL3633130)
Show SMILES Cl.CCCCCCc1cn(CC(C)(C)CNC(=O)[C@@H](C[C@H](O)[C@@H](N)C[C@H](Cc2ccc(OC)c(OCCCOC)c2)C(C)C)C(C)C)nn1 |r|
Show InChI InChI=1S/C38H67N5O5.ClH/c1-10-11-12-13-15-31-24-43(42-41-31)26-38(6,7)25-40-37(45)32(28(4)5)23-34(44)33(39)22-30(27(2)3)20-29-16-17-35(47-9)36(21-29)48-19-14-18-46-8;/h16-17,21,24,27-28,30,32-34,44H,10-15,18-20,22-23,25-26,39H2,1-9H3,(H,40,45);1H/t30-,32-,33-,34-;/m0./s1
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n/an/a 17n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis

Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50130650
PNG
(CHEMBL3633126)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)N[C@@H](C)c2ccc(Br)cc2)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C33H51BrN2O5.ClH/c1-21(2)26(17-24-9-14-31(40-7)32(18-24)41-16-8-15-39-6)19-29(35)30(37)20-28(22(3)4)33(38)36-23(5)25-10-12-27(34)13-11-25;/h9-14,18,21-23,26,28-30,37H,8,15-17,19-20,35H2,1-7H3,(H,36,38);1H/t23-,26-,28-,29-,30-;/m0./s1
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n/an/a 21n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis

Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50130640
PNG
(CHEMBL3633118)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCc2ccccc2Cl)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C33H51ClN2O5.ClH/c1-22(2)26(18-24-12-13-31(40-6)32(19-24)41-17-9-16-39-5)20-29(35)30(37)21-27(23(3)4)33(38)36-15-14-25-10-7-8-11-28(25)34;/h7-8,10-13,19,22-23,26-27,29-30,37H,9,14-18,20-21,35H2,1-6H3,(H,36,38);1H/t26-,27-,29-,30-;/m0./s1
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n/an/a 28n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis

Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50130646
PNG
(CHEMBL3633123)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)N[C@H](C)c2ccc(Cl)cc2)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C33H51ClN2O5.ClH/c1-21(2)26(17-24-9-14-31(40-7)32(18-24)41-16-8-15-39-6)19-29(35)30(37)20-28(22(3)4)33(38)36-23(5)25-10-12-27(34)13-11-25;/h9-14,18,21-23,26,28-30,37H,8,15-17,19-20,35H2,1-7H3,(H,36,38);1H/t23-,26+,28+,29+,30+;/m1./s1
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n/an/a 30n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis

Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50130649
PNG
(CHEMBL3633125)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)N[C@H](C)c2ccc(Br)cc2)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C33H51BrN2O5.ClH/c1-21(2)26(17-24-9-14-31(40-7)32(18-24)41-16-8-15-39-6)19-29(35)30(37)20-28(22(3)4)33(38)36-23(5)25-10-12-27(34)13-11-25;/h9-14,18,21-23,26,28-30,37H,8,15-17,19-20,35H2,1-7H3,(H,36,38);1H/t23-,26+,28+,29+,30+;/m1./s1
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n/an/a 34n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis

Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50130562
PNG
(CHEMBL3633103)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)Cc2ccccc2)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C36H58N2O5.ClH/c1-25(2)29(19-28-15-16-33(42-8)34(20-28)43-18-12-17-41-7)21-31(37)32(39)22-30(26(3)4)35(40)38-24-36(5,6)23-27-13-10-9-11-14-27;/h9-11,13-16,20,25-26,29-32,39H,12,17-19,21-24,37H2,1-8H3,(H,38,40);1H/t29-,30-,31-,32-;/m0./s1
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n/an/a 34n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis

Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%