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142 molecules are shown

Compile data set for download or QSAR
Wt: 669.8
BDBM50022955
Wt: 696.9
BDBM50022965
Wt: 627.8
BDBM50022620
Wt: 571.7
BDBM50022605
Wt: 762.9
BDBM50025928
Wt: 874.0
BDBM50024153
Wt: 776.9
BDBM50024152
<<  First   |  Previous   |  Displayed 136 to 142 (of 142 total )

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50022955,50022965,50022620,50022605,50025928,50024153,50024152   
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))
BDBM50022605
PNG
(CHEMBL3348535 | CHEMBL420009 | {1-[1-(2-Hydroxy-1-...)
Show SMILES CC(C)CC[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C31H49N5O5/c1-20(2)13-14-27(37)24(15-21(3)4)34-29(39)26(17-23-18-32-19-33-23)35-28(38)25(16-22-11-9-8-10-12-22)36-30(40)41-31(5,6)7/h8-12,18-21,24-27,37H,13-17H2,1-7H3,(H,32,33)(H,34,39)(H,35,38)(H,36,40)/t24-,25-,26-,27-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


Article DOI: 10.1021/jm00120a005
BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022620
PNG
(CHEMBL306131 | CHEMBL3348532 | {1-[1-(1-Cyclohexyl...)
Show SMILES CC(C)COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C34H53N5O6/c1-22(2)15-30(40)31(41)27(16-24-11-7-5-8-12-24)37-33(43)29(18-26-19-35-21-36-26)38-32(42)28(17-25-13-9-6-10-14-25)39-34(44)45-20-23(3)4/h6,9-10,13-14,19,21-24,27-31,40-41H,5,7-8,11-12,15-18,20H2,1-4H3,(H,35,36)(H,37,43)(H,38,42)(H,39,44)/t27-,28-,29-,30-,31+/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


Article DOI: 10.1021/jm00120a005
BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022965
PNG
(CHEMBL283512 | CHEMBL3143459 | {1-[1-[1-Cyclohexyl...)
Show SMILES CC(C)CCC(=O)NCC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cncn1C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C38H60N6O6/c1-26(2)17-18-34(46)40-20-19-33(45)30(21-27-13-9-7-10-14-27)41-36(48)32(23-29-24-39-25-44(29)6)42-35(47)31(22-28-15-11-8-12-16-28)43-37(49)50-38(3,4)5/h8,11-12,15-16,24-27,30-33,45H,7,9-10,13-14,17-23H2,1-6H3,(H,40,46)(H,41,48)(H,42,47)(H,43,49)/t30-,31-,32-,33-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human renin


J Med Chem 30: 1224-8 (1987)


Article DOI: 10.1021/jm00390a018
BindingDB Entry DOI: 10.7270/Q2X63NJ7
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50024153
PNG
(2-(1-{[1-[1-(1-Hydroxy-2-{2-methyl-1-[(pyridin-2-y...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)NCc1ccccn1
Show InChI InChI=1/C46H67N9O8/c1-9-30(4)40(43(60)49-27-32-18-13-14-20-48-32)53-39(57)25-38(56)34(22-29(2)3)51-42(59)37(24-33-26-47-28-50-33)54(8)44(61)35(23-31-16-11-10-12-17-31)52-41(58)36-19-15-21-55(36)45(62)63-46(5,6)7/h10-14,16-18,20,26,28-30,34-38,40,56H,9,15,19,21-25,27H2,1-8H3,(H,47,50)(H,49,60)(H,51,59)(H,52,58)(H,53,57)/t30-,34-,35-,36-,37-,38-,40-/s2
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n/an/a 190n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin


J Med Chem 29: 2088-93 (1986)


Article DOI: 10.1021/jm00160a049
BindingDB Entry DOI: 10.7270/Q2251JRT
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50025928
PNG
(CHEMBL287717 | CHEMBL57121 | {1-[1-[1-(1-Hydroxy-2...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1
Show InChI InChI=1S/C40H58N8O7/c1-8-26(4)35(38(53)43-23-28-16-12-13-17-42-28)48-34(50)21-33(49)30(18-25(2)3)45-37(52)32(20-29-22-41-24-44-29)46-36(51)31(19-27-14-10-9-11-15-27)47-39(54)55-40(5,6)7/h9-17,22,24-26,30-33,35,49H,8,18-21,23H2,1-7H3,(H,41,44)(H,43,53)(H,45,52)(H,46,51)(H,47,54)(H,48,50)/t26-,30-,31-,32-,33-,35-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Plasma renin inhibitory activity was evaluated in lyophilized human plasma with 0.1%EDTA


J Med Chem 28: 1553-5 (1985)


Article DOI: 10.1021/jm00149a001
BindingDB Entry DOI: 10.7270/Q23B60QP
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50024152
PNG
(CHEMBL3142182 | CHEMBL65977 | {1-[1-[1-(1-Hydroxy-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)OC(C)(C)C)C(=O)NCc1ccccn1
Show InChI InChI=1/C41H60N8O7/c1-9-27(4)36(39(54)44-24-29-17-13-14-18-43-29)48-35(51)22-34(50)31(19-26(2)3)46-37(52)32(21-30-23-42-25-45-30)47-38(53)33(20-28-15-11-10-12-16-28)49(8)40(55)56-41(5,6)7/h10-18,23,25-27,31-34,36,50H,9,19-22,24H2,1-8H3,(H,42,45)(H,44,54)(H,46,52)(H,47,53)(H,48,51)/t27-,31-,32-,33-,34-,36-/s2
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n/an/a 720n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin


J Med Chem 29: 2088-93 (1986)


Article DOI: 10.1021/jm00160a049
BindingDB Entry DOI: 10.7270/Q2251JRT
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022955
PNG
(CHEMBL278571 | CHEMBL3143460 | {1-[1-[1-Cyclohexyl...)
Show SMILES CN(C)CC(=O)NCC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C35H55N7O6/c1-35(2,3)48-34(47)41-28(19-25-14-10-7-11-15-25)32(45)40-29(20-26-21-36-23-38-26)33(46)39-27(18-24-12-8-6-9-13-24)30(43)16-17-37-31(44)22-42(4)5/h7,10-11,14-15,21,23-24,27-30,43H,6,8-9,12-13,16-20,22H2,1-5H3,(H,36,38)(H,37,44)(H,39,46)(H,40,45)(H,41,47)/t27-,28-,29-,30-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human renin


J Med Chem 30: 1224-8 (1987)


Article DOI: 10.1021/jm00390a018
BindingDB Entry DOI: 10.7270/Q2X63NJ7
More data for this
Ligand-Target Pair