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77 similar compounds to monomer 50006422

Compile data set for download or QSAR
Wt: 735.9
BDBM50004397
Wt: 753.9
BDBM50004398
Wt: 729.9
BDBM50004401
Wt: 673.8
BDBM50004403
Wt: 727.9
BDBM50004405
Wt: 645.8
BDBM50004407
Wt: 814.0
BDBM50004408
Wt: 830.0
BDBM50004410
Wt: 773.9
BDBM50004411
Wt: 729.9
BDBM50004412
Wt: 715.9
BDBM50004414
Wt: 757.9
BDBM50004415
Wt: 664.8
BDBM50002993
Wt: 667.8
BDBM50006433
Wt: 668.8
BDBM50006436
Displayed 1 to 15 (of 77 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50004397,50004398,50004401,50004403,50004405,50004407,50004408,50004410,50004411,50004412,50004414,50004415,50002993,50006433,50006436   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Renin


(Homo sapiens (Human))
BDBM50002993
PNG
(CHEMBL334319 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(O)CSc1ccccn1
Show InChI InChI=1S/C35H48N6O5S/c1-35(2,3)46-34(45)41-28(19-25-14-8-5-9-15-25)32(43)40-29(20-26-21-36-23-38-26)33(44)39-27(18-24-12-6-4-7-13-24)30(42)22-47-31-16-10-11-17-37-31/h5,8-11,14-17,21,23-24,27-30,42H,4,6-7,12-13,18-20,22H2,1-3H3,(H,36,38)(H,39,44)(H,40,43)(H,41,45)/t27?,28-,29-,30?/m0/s1
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n/an/a 150n/an/an/an/a5.5n/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human plasma renin at pH 5.5 for suppression of angiotensin I formation.


J Med Chem 35: 3525-36 (1992)


Article DOI: 10.1021/jm00097a010
BindingDB Entry DOI: 10.7270/Q2DB80S4
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006436
PNG
(CHEMBL66684 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy-...)
Show SMILES Cn1cnnc1SC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C33H48N8O5S/c1-33(2,3)46-32(45)39-26(16-23-13-9-6-10-14-23)29(43)38-27(17-24-18-34-20-35-24)30(44)37-25(15-22-11-7-5-8-12-22)28(42)19-47-31-40-36-21-41(31)4/h6,9-10,13-14,18,20-22,25-28,42H,5,7-8,11-12,15-17,19H2,1-4H3,(H,34,35)(H,37,44)(H,38,43)(H,39,45)/t25-,26-,27-,28-/m0/s1
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n/an/a 81n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibition of human plasma renin.


J Med Chem 35: 2103-12 (1992)


Article DOI: 10.1021/jm00089a023
BindingDB Entry DOI: 10.7270/Q2QC02FK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50004398
PNG
(CHEMBL405140 | {1-[1-{3-[(1-Aza-bicyclo[2.2.2]oct-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSCC(=O)NC1CN2CCC1CC2
Show InChI InChI=1S/C39H59N7O6S/c1-39(2,3)52-38(51)45-31(19-27-12-8-5-9-13-27)36(49)44-32(20-29-21-40-25-41-29)37(50)43-30(18-26-10-6-4-7-11-26)34(47)23-53-24-35(48)42-33-22-46-16-14-28(33)15-17-46/h5,8-9,12-13,21,25-26,28,30-34,47H,4,6-7,10-11,14-20,22-24H2,1-3H3,(H,40,41)(H,42,48)(H,43,50)(H,44,49)(H,45,51)/t30-,31-,32-,33?,34-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin


J Med Chem 35: 2772-81 (1992)


Article DOI: 10.1021/jm00093a009
BindingDB Entry DOI: 10.7270/Q2D50KWR
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50004401
PNG
(2-{3-[2-(2-tert-Butoxycarbonylamino-3-phenyl-propi...)
Show SMILES CCOC(=O)[C@@H](CC(C)C)SC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C38H59N5O7S/c1-7-49-36(47)33(18-25(2)3)51-23-32(44)29(19-26-14-10-8-11-15-26)41-35(46)31(21-28-22-39-24-40-28)42-34(45)30(20-27-16-12-9-13-17-27)43-37(48)50-38(4,5)6/h9,12-13,16-17,22,24-26,29-33,44H,7-8,10-11,14-15,18-21,23H2,1-6H3,(H,39,40)(H,41,46)(H,42,45)(H,43,48)/t29-,30-,31-,32-,33+/m0/s1
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n/an/a 305n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin


J Med Chem 35: 2772-81 (1992)


Article DOI: 10.1021/jm00093a009
BindingDB Entry DOI: 10.7270/Q2D50KWR
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50004405
PNG
(CHEMBL91839 | {1-[1-{1-Cyclohexylmethyl-2-hydroxy-...)
Show SMILES CN1CCN(CC1)C(=O)CSC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C37H57N7O6S/c1-37(2,3)50-36(49)42-30(20-27-13-9-6-10-14-27)34(47)41-31(21-28-22-38-25-39-28)35(48)40-29(19-26-11-7-5-8-12-26)32(45)23-51-24-33(46)44-17-15-43(4)16-18-44/h6,9-10,13-14,22,25-26,29-32,45H,5,7-8,11-12,15-21,23-24H2,1-4H3,(H,38,39)(H,40,48)(H,41,47)(H,42,49)/t29-,30-,31-,32-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin


J Med Chem 35: 2772-81 (1992)


Article DOI: 10.1021/jm00093a009
BindingDB Entry DOI: 10.7270/Q2D50KWR
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50004403
PNG
(CHEMBL320685 | {3-[2-(2-tert-Butoxycarbonylamino-3...)
Show SMILES CCOC(=O)CSC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C34H51N5O7S/c1-5-45-30(41)21-47-20-29(40)26(16-23-12-8-6-9-13-23)37-32(43)28(18-25-19-35-22-36-25)38-31(42)27(17-24-14-10-7-11-15-24)39-33(44)46-34(2,3)4/h7,10-11,14-15,19,22-23,26-29,40H,5-6,8-9,12-13,16-18,20-21H2,1-4H3,(H,35,36)(H,37,43)(H,38,42)(H,39,44)/t26-,27-,28-,29-/m0/s1
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n/an/a 58n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin


J Med Chem 35: 2772-81 (1992)


Article DOI: 10.1021/jm00093a009
BindingDB Entry DOI: 10.7270/Q2D50KWR
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50004407
PNG
(CHEMBL319378 | {3-[2-(2-tert-Butoxycarbonylamino-3...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSCC(O)=O
Show InChI InChI=1S/C32H47N5O7S/c1-32(2,3)44-31(43)37-25(15-22-12-8-5-9-13-22)29(41)36-26(16-23-17-33-20-34-23)30(42)35-24(14-21-10-6-4-7-11-21)27(38)18-45-19-28(39)40/h5,8-9,12-13,17,20-21,24-27,38H,4,6-7,10-11,14-16,18-19H2,1-3H3,(H,33,34)(H,35,42)(H,36,41)(H,37,43)(H,39,40)/t24-,25-,26-,27-/m0/s1
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n/an/a 904n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin


J Med Chem 35: 2772-81 (1992)


Article DOI: 10.1021/jm00093a009
BindingDB Entry DOI: 10.7270/Q2D50KWR
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50004408
PNG
(CHEMBL96203 | {1-[1-{1-Cyclohexylmethyl-2-hydroxy-...)
Show SMILES CC(C)CC(SC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C42H67N7O7S/c1-29(2)22-37(40(53)44-16-17-49-18-20-55-21-19-49)57-27-36(50)33(23-30-12-8-6-9-13-30)46-39(52)35(25-32-26-43-28-45-32)47-38(51)34(24-31-14-10-7-11-15-31)48-41(54)56-42(3,4)5/h7,10-11,14-15,26,28-30,33-37,50H,6,8-9,12-13,16-25,27H2,1-5H3,(H,43,45)(H,44,53)(H,46,52)(H,47,51)(H,48,54)/t33-,34-,35-,36-,37?/m0/s1
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n/an/a 73n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin


J Med Chem 35: 2772-81 (1992)


Article DOI: 10.1021/jm00093a009
BindingDB Entry DOI: 10.7270/Q2D50KWR
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50004410
PNG
(CHEMBL439774 | {1-[1-{1-Cyclohexylmethyl-2-hydroxy...)
Show SMILES CC(C)CC(C(=O)NCCN1CCOCC1)S(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C42H67N7O8S/c1-29(2)22-37(40(53)44-16-17-49-18-20-56-21-19-49)58(55)27-36(50)33(23-30-12-8-6-9-13-30)46-39(52)35(25-32-26-43-28-45-32)47-38(51)34(24-31-14-10-7-11-15-31)48-41(54)57-42(3,4)5/h7,10-11,14-15,26,28-30,33-37,50H,6,8-9,12-13,16-25,27H2,1-5H3,(H,43,45)(H,44,53)(H,46,52)(H,47,51)(H,48,54)/t33-,34-,35-,36-,37?,58?/m0/s1
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n/an/a 88n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin


J Med Chem 35: 2772-81 (1992)


Article DOI: 10.1021/jm00093a009
BindingDB Entry DOI: 10.7270/Q2D50KWR
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50004411
PNG
(CHEMBL96127 | {1-[1-{1-Cyclohexylmethyl-2-hydroxy-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(=O)CC(=O)NCCN1CCOCC1
Show InChI InChI=1S/C38H59N7O8S/c1-38(2,3)53-37(50)44-31(21-28-12-8-5-9-13-28)35(48)43-32(22-29-23-39-26-41-29)36(49)42-30(20-27-10-6-4-7-11-27)33(46)24-54(51)25-34(47)40-14-15-45-16-18-52-19-17-45/h5,8-9,12-13,23,26-27,30-33,46H,4,6-7,10-11,14-22,24-25H2,1-3H3,(H,39,41)(H,40,47)(H,42,49)(H,43,48)(H,44,50)/t30-,31-,32-,33-,54?/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin


J Med Chem 35: 2772-81 (1992)


Article DOI: 10.1021/jm00093a009
BindingDB Entry DOI: 10.7270/Q2D50KWR
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50004414
PNG
(CHEMBL96867 | {1-[1-{1-Cyclohexylmethyl-3-[(2-dime...)
Show SMILES CN(C)CCNC(=O)CSC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C36H57N7O6S/c1-36(2,3)49-35(48)42-29(19-26-14-10-7-11-15-26)33(46)41-30(20-27-21-37-24-39-27)34(47)40-28(18-25-12-8-6-9-13-25)31(44)22-50-23-32(45)38-16-17-43(4)5/h7,10-11,14-15,21,24-25,28-31,44H,6,8-9,12-13,16-20,22-23H2,1-5H3,(H,37,39)(H,38,45)(H,40,47)(H,41,46)(H,42,48)/t28-,29-,30-,31-/m0/s1
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n/an/a 161n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin


J Med Chem 35: 2772-81 (1992)


Article DOI: 10.1021/jm00093a009
BindingDB Entry DOI: 10.7270/Q2D50KWR
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50004412
PNG
(2-{3-[2-(2-tert-Butoxycarbonylamino-3-phenyl-propi...)
Show SMILES CCOC(=O)[C@H](CC(C)C)SC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C38H59N5O7S/c1-7-49-36(47)33(18-25(2)3)51-23-32(44)29(19-26-14-10-8-11-15-26)41-35(46)31(21-28-22-39-24-40-28)42-34(45)30(20-27-16-12-9-13-17-27)43-37(48)50-38(4,5)6/h9,12-13,16-17,22,24-26,29-33,44H,7-8,10-11,14-15,18-21,23H2,1-6H3,(H,39,40)(H,41,46)(H,42,45)(H,43,48)/t29-,30-,31-,32-,33-/m0/s1
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n/an/a 288n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin


J Med Chem 35: 2772-81 (1992)


Article DOI: 10.1021/jm00093a009
BindingDB Entry DOI: 10.7270/Q2D50KWR
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50004415
PNG
(CHEMBL323104 | {1-[1-{1-Cyclohexylmethyl-2-hydroxy...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSCC(=O)NCCN1CCOCC1
Show InChI InChI=1S/C38H59N7O7S/c1-38(2,3)52-37(50)44-31(21-28-12-8-5-9-13-28)35(48)43-32(22-29-23-39-26-41-29)36(49)42-30(20-27-10-6-4-7-11-27)33(46)24-53-25-34(47)40-14-15-45-16-18-51-19-17-45/h5,8-9,12-13,23,26-27,30-33,46H,4,6-7,10-11,14-22,24-25H2,1-3H3,(H,39,41)(H,40,47)(H,42,49)(H,43,48)(H,44,50)/t30-,31-,32-,33-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin


J Med Chem 35: 2772-81 (1992)


Article DOI: 10.1021/jm00093a009
BindingDB Entry DOI: 10.7270/Q2D50KWR
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006433
PNG
(CHEMBL406475 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...)
Show SMILES Cn1ccnc1SC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C34H49N7O5S/c1-34(2,3)46-33(45)40-27(18-24-13-9-6-10-14-24)30(43)39-28(19-25-20-35-22-37-25)31(44)38-26(17-23-11-7-5-8-12-23)29(42)21-47-32-36-15-16-41(32)4/h6,9-10,13-16,20,22-23,26-29,42H,5,7-8,11-12,17-19,21H2,1-4H3,(H,35,37)(H,38,44)(H,39,43)(H,40,45)/t26-,27-,28-,29-/m0/s1
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n/an/a 124n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibition of human plasma renin.


J Med Chem 35: 2103-12 (1992)


Article DOI: 10.1021/jm00089a023
BindingDB Entry DOI: 10.7270/Q2QC02FK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50004397
PNG
(CHEMBL330538 | {1-[1-(1-Cyclohexylmethyl-2-hydroxy...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSCC(=O)NCc1ccncc1
Show InChI InChI=1S/C38H53N7O6S/c1-38(2,3)51-37(50)45-31(19-27-12-8-5-9-13-27)35(48)44-32(20-29-22-40-25-42-29)36(49)43-30(18-26-10-6-4-7-11-26)33(46)23-52-24-34(47)41-21-28-14-16-39-17-15-28/h5,8-9,12-17,22,25-26,30-33,46H,4,6-7,10-11,18-21,23-24H2,1-3H3,(H,40,42)(H,41,47)(H,43,49)(H,44,48)(H,45,50)/t30-,31-,32-,33-/m0/s1
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n/an/a 92n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin


J Med Chem 35: 2772-81 (1992)


Article DOI: 10.1021/jm00093a009
BindingDB Entry DOI: 10.7270/Q2D50KWR
More data for this
Ligand-Target Pair