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25 similar compounds to monomer 50006436

Compile data set for download or QSAR
Wt: 673.8
BDBM50004403
Wt: 727.9
BDBM50004405
Wt: 645.8
BDBM50004407
Wt: 715.9
BDBM50004414
Wt: 757.9
BDBM50004415
Wt: 667.8
BDBM50006433
Wt: 762.8
BDBM50006437
Wt: 736.8
BDBM50006438
Wt: 669.8
BDBM50006421
Wt: 669.9
BDBM50006422
Wt: 736.8
BDBM50006424
Wt: 679.8
BDBM50006427
Wt: 827.9
BDBM50006429
Wt: 643.8
BDBM50022869
Wt: 589.7
BDBM50022870
Displayed 1 to 15 (of 25 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50004403,50004405,50004407,50004414,50004415,50006433,50006437,50006438,50006421,50006422,50006424,50006427,50006429,50022869,50022870   
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))
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))
BDBM50022870
PNG
(1N-[1-[1-[1-hydroxy-2-isopropylsulfanyl-(1R)-ethyl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)CSC(C)C
Show InChI InChI=1S/C30H47N5O5S/c1-19(2)13-23(26(36)17-41-20(3)4)33-28(38)25(15-22-16-31-18-32-22)34-27(37)24(14-21-11-9-8-10-12-21)35-29(39)40-30(5,6)7/h8-12,16,18-20,23-26,36H,13-15,17H2,1-7H3,(H,31,32)(H,33,38)(H,34,37)(H,35,39)/t23-,24-,25-,26-/m0/s1
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n/an/a 81n/an/an/an/a6.0n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human renal renin at pH 6


J Med Chem 31: 532-9 (1988)


Article DOI: 10.1021/jm00398a008
BindingDB Entry DOI: 10.7270/Q2NK3D1X
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))
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))
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))
BDBM50006422
PNG
(CHEMBL309127 | {1-[1-(1-Cyclohexylmethyl-3-cyclohe...)
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)CSC1CCCCC1
Show InChI InChI=1S/C36H55N5O5S/c1-36(2,3)46-35(45)41-30(20-26-15-9-5-10-16-26)33(43)40-31(21-27-22-37-24-38-27)34(44)39-29(19-25-13-7-4-8-14-25)32(42)23-47-28-17-11-6-12-18-28/h5,9-10,15-16,22,24-25,28-32,42H,4,6-8,11-14,17-21,23H2,1-3H3,(H,37,38)(H,39,44)(H,40,43)(H,41,45)/t29-,30-,31-,32-/m0/s1
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n/an/a 289n/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))
BDBM50006421
PNG
(CHEMBL67542 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy-...)
Show SMILES Cn1nnnc1SC[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/C32H47N9O5S/c1-32(2,3)46-31(45)37-25(16-22-13-9-6-10-14-22)28(43)36-26(17-23-18-33-20-34-23)29(44)35-24(15-21-11-7-5-8-12-21)27(42)19-47-30-38-39-40-41(30)4/h6,9-10,13-14,18,20-21,24-27,42H,5,7-8,11-12,15-17,19H2,1-4H3,(H,33,34)(H,35,44)(H,36,43)(H,37,45)/t24-,25-,26-,27-/m0/s1
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n/an/a 32n/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))
BDBM50006424
PNG
(CHEMBL63434 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy-...)
Show SMILES Cn1nc(nc1SC[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(F)(F)F
Show InChI InChI=1S/C34H47F3N8O5S/c1-33(2,3)50-32(49)42-25(16-22-13-9-6-10-14-22)28(47)41-26(17-23-18-38-20-39-23)29(48)40-24(15-21-11-7-5-8-12-21)27(46)19-51-31-43-30(34(35,36)37)44-45(31)4/h6,9-10,13-14,18,20-21,24-27,46H,5,7-8,11-12,15-17,19H2,1-4H3,(H,38,39)(H,40,48)(H,41,47)(H,42,49)/t24-,25-,26-,27-/m0/s1
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n/an/a 392n/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))
BDBM50006427
PNG
(CHEMBL68229 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy-...)
Show SMILES Cc1ccnc(SC[C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)n1
Show InChI InChI=1S/C35H49N7O5S/c1-23-15-16-37-33(39-23)48-21-30(43)27(17-24-11-7-5-8-12-24)40-32(45)29(19-26-20-36-22-38-26)41-31(44)28(18-25-13-9-6-10-14-25)42-34(46)47-35(2,3)4/h6,9-10,13-16,20,22,24,27-30,43H,5,7-8,11-12,17-19,21H2,1-4H3,(H,36,38)(H,40,45)(H,41,44)(H,42,46)/t27-,28-,29-,30-/m0/s1
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n/an/a 240n/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))
BDBM50006429
PNG
(CHEMBL302984 | {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)CSc1nnc(n1CCc1ccncc1)C(F)(F)F
Show InChI InChI=1S/C40H52F3N9O5S/c1-39(2,3)57-38(56)49-31(21-28-12-8-5-9-13-28)34(54)48-32(22-29-23-45-25-46-29)35(55)47-30(20-27-10-6-4-7-11-27)33(53)24-58-37-51-50-36(40(41,42)43)52(37)19-16-26-14-17-44-18-15-26/h5,8-9,12-15,17-18,23,25,27,30-33,53H,4,6-7,10-11,16,19-22,24H2,1-3H3,(H,45,46)(H,47,55)(H,48,54)(H,49,56)/t30-,31-,32-,33-/m0/s1
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n/an/a 41n/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))
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))
BDBM50006437
PNG
(CHEMBL63965 | {1-[1-[3-(4-Allyl-5-trifluoromethyl-...)
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)CSc1nnc(n1CC=C)C(F)(F)F
Show InChI InChI=1S/C36H49F3N8O5S/c1-5-16-47-32(36(37,38)39)45-46-33(47)53-21-29(48)26(17-23-12-8-6-9-13-23)42-31(50)28(19-25-20-40-22-41-25)43-30(49)27(18-24-14-10-7-11-15-24)44-34(51)52-35(2,3)4/h5,7,10-11,14-15,20,22-23,26-29,48H,1,6,8-9,12-13,16-19,21H2,2-4H3,(H,40,41)(H,42,50)(H,43,49)(H,44,51)/t26-,27-,28-,29-/m0/s1
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n/an/a 206n/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))
BDBM50006438
PNG
(CHEMBL305761 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...)
Show SMILES Cn1c(SC[C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)nnc1C(F)(F)F
Show InChI InChI=1S/C34H47F3N8O5S/c1-33(2,3)50-32(49)42-25(16-22-13-9-6-10-14-22)28(47)41-26(17-23-18-38-20-39-23)29(48)40-24(15-21-11-7-5-8-12-21)27(46)19-51-31-44-43-30(45(31)4)34(35,36)37/h6,9-10,13-14,18,20-21,24-27,46H,5,7-8,11-12,15-17,19H2,1-4H3,(H,38,39)(H,40,48)(H,41,47)(H,42,49)/t24-,25-,26-,27-/m0/s1
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n/an/a 39n/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))
BDBM50022869
PNG
(1N-[1-[1-(2-cyclohexylethyl)-2-hydroxy-3-isopropyl...)
Show SMILES CC(C)SC[C@H](O)[C@H](CCC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C34H53N5O5S/c1-23(2)45-21-30(40)27(17-16-24-12-8-6-9-13-24)37-32(42)29(19-26-20-35-22-36-26)38-31(41)28(18-25-14-10-7-11-15-25)39-33(43)44-34(3,4)5/h7,10-11,14-15,20,22-24,27-30,40H,6,8-9,12-13,16-19,21H2,1-5H3,(H,35,36)(H,37,42)(H,38,41)(H,39,43)/t27-,28-,29-,30-/m0/s1
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n/an/a 1.50E+3n/an/an/an/a6.0n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human renal renin at pH 6


J Med Chem 31: 532-9 (1988)


Article DOI: 10.1021/jm00398a008
BindingDB Entry DOI: 10.7270/Q2NK3D1X
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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PubMed
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