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5 similar compounds to monomer 50010905

Compile data set for download or QSAR
Wt: 688.8
BDBM50010901
Wt: 744.8
BDBM50010902
Wt: 597.6
BDBM50010903
Wt: 597.6
BDBM50010906
Wt: 610.7
BDBM50010907

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50010901,50010902,50010903,50010906,50010907   
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))
BDBM50010901
PNG
(5-Cyclohexyl-2,2-difluoro-3-oxo-4-[2-(8-propyl-6-p...)
Show SMILES CCCc1nc(cn2c(nnc12)C(Cc1cccnc1)C(=O)NC(CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCC(C)C)-c1cccnc1
Show InChI InChI=1S/C37H46F2N8O3/c1-4-10-29-34-46-45-33(47(34)23-31(43-29)27-14-9-17-41-22-27)28(19-26-13-8-16-40-21-26)35(49)44-30(20-25-11-6-5-7-12-25)32(48)37(38,39)36(50)42-18-15-24(2)3/h8-9,13-14,16-17,21-25,28,30H,4-7,10-12,15,18-20H2,1-3H3,(H,42,50)(H,44,49)
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n/an/a 1.80n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human renin


J Med Chem 34: 151-7 (1991)


Article DOI: 10.1021/jm00105a022
BindingDB Entry DOI: 10.7270/Q2251H5S
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50010903
PNG
(5-Cyclohexyl-2,2-difluoro-3-oxo-4-[2-(8-propyl-6-p...)
Show SMILES CCCc1nc(cn2c(CC(=O)NC(CC3CCCCC3)C(=O)C(F)(F)C(=O)NCC(C)CC)nnc12)-c1cccnc1
Show InChI InChI=1S/C31H41F2N7O3/c1-4-10-23-29-39-38-26(40(29)19-25(36-23)22-13-9-14-34-18-22)16-27(41)37-24(15-21-11-7-6-8-12-21)28(42)31(32,33)30(43)35-17-20(3)5-2/h9,13-14,18-21,24H,4-8,10-12,15-17H2,1-3H3,(H,35,43)(H,37,41)
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n/an/a 1.70n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human renin


J Med Chem 34: 151-7 (1991)


Article DOI: 10.1021/jm00105a022
BindingDB Entry DOI: 10.7270/Q2251H5S
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50010907
PNG
(5-Cyclohexyl-2,2-difluoro-4-[2-(8-isobutyl-6-pheny...)
Show SMILES CC(C)CCNC(=O)C(F)(F)C(=O)C(CC1CCCCC1)NC(=O)Cc1nnc2c(CC(C)C)nc(cn12)-c1ccccc1
Show InChI InChI=1S/C33H44F2N6O3/c1-21(2)15-16-36-32(44)33(34,35)30(43)25(18-23-11-7-5-8-12-23)38-29(42)19-28-39-40-31-26(17-22(3)4)37-27(20-41(28)31)24-13-9-6-10-14-24/h6,9-10,13-14,20-23,25H,5,7-8,11-12,15-19H2,1-4H3,(H,36,44)(H,38,42)
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n/an/a 38n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human renin


J Med Chem 34: 151-7 (1991)


Article DOI: 10.1021/jm00105a022
BindingDB Entry DOI: 10.7270/Q2251H5S
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50010906
PNG
(5-Cyclohexyl-2,2-difluoro-3-oxo-4-[2-(8-propyl-6-p...)
Show SMILES CCCc1nc(cn2c(CC(=O)NC(CC3CCCCC3)C(=O)C(F)(F)C(=O)NCCC(C)C)nnc12)-c1cccnc1
Show InChI InChI=1S/C31H41F2N7O3/c1-4-9-23-29-39-38-26(40(29)19-25(36-23)22-12-8-14-34-18-22)17-27(41)37-24(16-21-10-6-5-7-11-21)28(42)31(32,33)30(43)35-15-13-20(2)3/h8,12,14,18-21,24H,4-7,9-11,13,15-17H2,1-3H3,(H,35,43)(H,37,41)
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n/an/a 1.60n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human renin


J Med Chem 34: 151-7 (1991)


Article DOI: 10.1021/jm00105a022
BindingDB Entry DOI: 10.7270/Q2251H5S
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50010902
PNG
(5-Cyclohexyl-2,2-difluoro-4-[2-(8-isobutyl-6-pheny...)
Show SMILES CC(C)CC(NC(=O)C(F)(F)C(=O)C(CC1CCCCC1)NC(=O)Cc1nnc2c(CC(C)C)nc(cn12)-c1ccccc1)C(=O)NCc1ccccn1
Show InChI InChI=1S/C40H50F2N8O4/c1-25(2)19-31-37-49-48-34(50(37)24-33(45-31)28-15-9-6-10-16-28)22-35(51)46-30(21-27-13-7-5-8-14-27)36(52)40(41,42)39(54)47-32(20-26(3)4)38(53)44-23-29-17-11-12-18-43-29/h6,9-12,15-18,24-27,30,32H,5,7-8,13-14,19-23H2,1-4H3,(H,44,53)(H,46,51)(H,47,54)
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n/an/a 1.90n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human renin


J Med Chem 34: 151-7 (1991)


Article DOI: 10.1021/jm00105a022
BindingDB Entry DOI: 10.7270/Q2251H5S
More data for this
Ligand-Target Pair