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112 molecules are shown

Compile data set for download or QSAR
Wt: 819.0
BDBM50022040
Wt: 761.9
BDBM50016033
Wt: 1100.3
BDBM50000820
Wt: 641.7
BDBM50002970
Wt: 710.9
BDBM50006194
Wt: 712.9
BDBM50006207
Wt: 700.9
BDBM50009326
Wt: 666.8
BDBM50011695
Wt: 706.9
BDBM50011696
Wt: 626.7
BDBM50011697
Wt: 638.7
BDBM50011703
Wt: 666.8
BDBM50011704
Wt: 666.8
BDBM50011705
Wt: 708.9
BDBM50011706
Wt: 668.8
BDBM50011707
Displayed 1 to 15 (of 112 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 54 hits for monomerid = 50022040,50016033,50000820,50002970,50006194,50006207,50009326,50011695,50011696,50011697,50011703,50011704,50011705,50011706,50011707   
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))
BDBM50006207
PNG
(CHEMBL301395 | {4-[2-(2-tert-Butoxycarbonylamino-3...)
Show SMILES CCCOC(=O)N[C@@H](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)C(C)C
Show InChI InChI=1S/C38H60N6O7/c1-7-18-50-36(48)43-29(25(2)3)22-33(45)30(19-26-14-10-8-11-15-26)41-35(47)32(21-28-23-39-24-40-28)42-34(46)31(20-27-16-12-9-13-17-27)44-37(49)51-38(4,5)6/h9,12-13,16-17,23-26,29-33,45H,7-8,10-11,14-15,18-22H2,1-6H3,(H,39,40)(H,41,47)(H,42,46)(H,43,48)(H,44,49)/t29-,30-,31-,32-,33-/m0/s1
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n/an/a 16n/an/an/an/a6.0n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against human plasma renin at a pH of 7.4


J Med Chem 35: 1735-46 (1992)


Article DOI: 10.1021/jm00088a007
BindingDB Entry DOI: 10.7270/Q27943MQ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006207
PNG
(CHEMBL301395 | {4-[2-(2-tert-Butoxycarbonylamino-3...)
Show SMILES CCCOC(=O)N[C@@H](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)C(C)C
Show InChI InChI=1S/C38H60N6O7/c1-7-18-50-36(48)43-29(25(2)3)22-33(45)30(19-26-14-10-8-11-15-26)41-35(47)32(21-28-23-39-24-40-28)42-34(46)31(20-27-16-12-9-13-17-27)44-37(49)51-38(4,5)6/h9,12-13,16-17,23-26,29-33,45H,7-8,10-11,14-15,18-22H2,1-6H3,(H,39,40)(H,41,47)(H,42,46)(H,43,48)(H,44,49)/t29-,30-,31-,32-,33-/m0/s1
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n/an/a 1.70n/an/an/an/a6.0n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against human plasma renin at a pH of 7.4


J Med Chem 35: 1735-46 (1992)


Article DOI: 10.1021/jm00088a007
BindingDB Entry DOI: 10.7270/Q27943MQ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50002970
PNG
(4-[2-(2-tert-Butoxycarbonylamino-3-phenyl-propiony...)
Show SMILES CC(C)OC(=O)CC(O)C(CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C34H51N5O7/c1-22(2)45-30(41)19-29(40)26(16-23-12-8-6-9-13-23)37-32(43)28(18-25-20-35-21-36-25)38-31(42)27(17-24-14-10-7-11-15-24)39-33(44)46-34(3,4)5/h7,10-11,14-15,20-23,26-29,40H,6,8-9,12-13,16-19H2,1-5H3,(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 175n/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))
BDBM50006194
PNG
(CHEMBL48481 | {1-[1-(1-Cyclohexylmethyl-2-hydroxy-...)
Show SMILES CCCCC(=O)N[C@@H](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)C(C)C
Show InChI InChI=1S/C39H62N6O6/c1-7-8-19-35(47)42-30(26(2)3)23-34(46)31(20-27-15-11-9-12-16-27)43-37(49)33(22-29-24-40-25-41-29)44-36(48)32(21-28-17-13-10-14-18-28)45-38(50)51-39(4,5)6/h10,13-14,17-18,24-27,30-34,46H,7-9,11-12,15-16,19-23H2,1-6H3,(H,40,41)(H,42,47)(H,43,49)(H,44,48)(H,45,50)/t30-,31-,32-,33-,34-/m0/s1
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n/an/a 200n/an/an/an/a6.0n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against human plasma renin at a pH of 7.4


J Med Chem 35: 1735-46 (1992)


Article DOI: 10.1021/jm00088a007
BindingDB Entry DOI: 10.7270/Q27943MQ
More data for this
Ligand-Target Pair
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