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101 similar compounds to monomer 50023050

Compile data set for download or QSAR
Wt: 967.2
BDBM749
Wt: 820.0
BDBM750
Wt: 473.6
BDBM50022594
Wt: 771.9
BDBM50016026
Wt: 713.0
BDBM50005314
Wt: 713.0
BDBM50005316
Wt: 686.9
BDBM50005318
Wt: 600.7
BDBM50009619
Wt: 602.7
BDBM50009621
Wt: 602.7
BDBM50009624
Wt: 681.8
BDBM50016036
Wt: 758.0
BDBM50016058
Wt: 547.7
BDBM50022636
Wt: 475.6
BDBM50022627
Wt: 459.5
BDBM50022874
Displayed 1 to 15 (of 96 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 749,750,50022594,50016026,50005314,50005316,50005318,50009619,50009621,50009624,50016036,50016058,50022636,50022627,50022874   
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))
BDBM50016026
PNG
(CHEMBL424543 | [1-(1-{1-[2-(1-Benzylcarbamoyl-3-me...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C44H61N5O7/c1-29(2)23-34(38(50)27-39(51)46-35(24-30(3)4)40(52)45-28-33-21-15-10-16-22-33)47-41(53)36(25-31-17-11-8-12-18-31)48-42(54)37(26-32-19-13-9-14-20-32)49-43(55)56-44(5,6)7/h8-22,29-30,34-38,50H,23-28H2,1-7H3,(H,45,52)(H,46,51)(H,47,53)(H,48,54)(H,49,55)/t34-,35-,36-,37-,38?/m0/s1
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43n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of human kidney renin


J Med Chem 28: 1755-6 (1986)


Article DOI: 10.1021/jm00150a001
BindingDB Entry DOI: 10.7270/Q2P26X56
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022874
PNG
(1N-[1-cyclohexyl(formyl)methylcarbamoyl-(1S)-ethyl...)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](C=O)C1CCCCC1
Show InChI InChI=1S/C25H37N3O5/c1-17(22(30)27-21(16-29)19-13-9-6-10-14-19)26-23(31)20(15-18-11-7-5-8-12-18)28-24(32)33-25(2,3)4/h5,7-8,11-12,16-17,19-21H,6,9-10,13-15H2,1-4H3,(H,26,31)(H,27,30)(H,28,32)/t17-,20-,21+/m0/s1
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n/an/a 1.00E+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))
BDBM50005314
PNG
(CHEMBL167118 | {1-[1-(4-Butylcarbamoyl-1-cyclohexy...)
Show SMILES CCCCNC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)N1CC[C@H]([C@H](NC(=O)OC(C)(C)C)C1=O)c1ccccc1)C(C)C
Show InChI InChI=1S/C41H68N4O6/c1-8-10-22-34(45-25-23-31(30-20-16-13-17-21-30)36(39(45)49)44-40(50)51-41(5,6)7)38(48)43-33(26-29-18-14-12-15-19-29)35(46)27-32(28(3)4)37(47)42-24-11-9-2/h13,16-17,20-21,28-29,31-36,46H,8-12,14-15,18-19,22-27H2,1-7H3,(H,42,47)(H,43,48)(H,44,50)/t31-,32-,33-,34-,35-,36-/m0/s1
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n/an/a 5.91E+3n/an/an/an/a7.4n/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of human plasma renin at pH 7.4


J Med Chem 35: 833-46 (1992)


Article DOI: 10.1021/jm00083a006
BindingDB Entry DOI: 10.7270/Q21R6PGB
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50005316
PNG
(CHEMBL350357 | {1-[1-(4-Butylcarbamoyl-1-cyclohexy...)
Show SMILES CCCCNC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)N1CC[C@@H]([C@H](NC(=O)OC(C)(C)C)C1=O)c1ccccc1)C(C)C
Show InChI InChI=1S/C41H68N4O6/c1-8-10-22-34(45-25-23-31(30-20-16-13-17-21-30)36(39(45)49)44-40(50)51-41(5,6)7)38(48)43-33(26-29-18-14-12-15-19-29)35(46)27-32(28(3)4)37(47)42-24-11-9-2/h13,16-17,20-21,28-29,31-36,46H,8-12,14-15,18-19,22-27H2,1-7H3,(H,42,47)(H,43,48)(H,44,50)/t31-,32+,33+,34+,35+,36+/m1/s1
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n/an/a 134n/an/an/an/a7.4n/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of human plasma renin at pH 7.4


J Med Chem 35: 833-46 (1992)


Article DOI: 10.1021/jm00083a006
BindingDB Entry DOI: 10.7270/Q21R6PGB
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50005318
PNG
(CHEMBL166771 | {1-[1-(4-Butylcarbamoyl-1-cyclohexy...)
Show SMILES CCCCNC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C
Show InChI InChI=1S/C39H66N4O6/c1-8-10-22-31(41-37(47)33(25-29-20-16-13-17-21-29)43-38(48)49-39(5,6)7)36(46)42-32(24-28-18-14-12-15-19-28)34(44)26-30(27(3)4)35(45)40-23-11-9-2/h13,16-17,20-21,27-28,30-34,44H,8-12,14-15,18-19,22-26H2,1-7H3,(H,40,45)(H,41,47)(H,42,46)(H,43,48)/t30-,31-,32-,33?,34-/m0/s1
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n/an/a 2.10n/an/an/an/a7.4n/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of human plasma renin at pH 7.4


J Med Chem 35: 833-46 (1992)


Article DOI: 10.1021/jm00083a006
BindingDB Entry DOI: 10.7270/Q21R6PGB
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50016026
PNG
(CHEMBL424543 | [1-(1-{1-[2-(1-Benzylcarbamoyl-3-me...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C44H61N5O7/c1-29(2)23-34(38(50)27-39(51)46-35(24-30(3)4)40(52)45-28-33-21-15-10-16-22-33)47-41(53)36(25-31-17-11-8-12-18-31)48-42(54)37(26-32-19-13-9-14-20-32)49-43(55)56-44(5,6)7/h8-22,29-30,34-38,50H,23-28H2,1-7H3,(H,45,52)(H,46,51)(H,47,53)(H,48,54)(H,49,55)/t34-,35-,36-,37-,38?/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin


J Med Chem 33: 838-45 (1990)


Article DOI: 10.1021/jm00164a058
BindingDB Entry DOI: 10.7270/Q2T152M6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50016036
PNG
(CHEMBL167930 | {1-[({1-[2-(1-Benzylcarbamoyl-3-met...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C37H55N5O7/c1-24(2)18-28(31(43)21-32(44)41-29(19-25(3)4)34(46)38-22-27-16-12-9-13-17-27)40-33(45)23-39-35(47)30(20-26-14-10-8-11-15-26)42-36(48)49-37(5,6)7/h8-17,24-25,28-31,43H,18-23H2,1-7H3,(H,38,46)(H,39,47)(H,40,45)(H,41,44)(H,42,48)/t28-,29-,30-,31?/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Renin in monkey plasma


J Med Chem 33: 838-45 (1990)


Article DOI: 10.1021/jm00164a058
BindingDB Entry DOI: 10.7270/Q2T152M6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50016058
PNG
(CHEMBL168712 | [1-Benzyl-2-(1-{1-[2-(1-benzylcarba...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C44H63N5O6/c1-30(2)23-36(39(50)27-40(51)48-38(24-31(3)4)41(52)46-28-34-21-15-10-16-22-34)49-42(53)37(26-33-19-13-9-14-20-33)45-29-35(25-32-17-11-8-12-18-32)47-43(54)55-44(5,6)7/h8-22,30-31,35-39,45,50H,23-29H2,1-7H3,(H,46,52)(H,47,54)(H,48,51)(H,49,53)/t35-,36-,37-,38-,39?/m0/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin


J Med Chem 33: 838-45 (1990)


Article DOI: 10.1021/jm00164a058
BindingDB Entry DOI: 10.7270/Q2T152M6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50009619
PNG
(CHEMBL91847 | [1-(13-Cyclohexylmethyl-12-hydroxy-2...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)NCCCC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
Show InChI InChI=1S/C32H48N4O7/c1-32(2,3)43-31(42)36-25(20-22-13-8-5-9-14-22)30(41)34-23-16-17-27(38)33-18-10-15-26(37)28(39)24(35-29(23)40)19-21-11-6-4-7-12-21/h5,8-9,13-14,21,23-25,28,39H,4,6-7,10-12,15-20H2,1-3H3,(H,33,38)(H,34,41)(H,35,40)(H,36,42)/t23-,24-,25-,28+/m0/s1
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n/an/a 1.40E+4n/an/an/an/a7.4n/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for inhibition of human plasma renin at pH 7.4.


J Med Chem 34: 2692-701 (1991)


Article DOI: 10.1021/jm00113a005
BindingDB Entry DOI: 10.7270/Q2P26X4R
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50009621
PNG
(CHEMBL90266 | [1-(13-Cyclohexylmethyl-11,12-dihydr...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)NCCC[C@H](O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
Show InChI InChI=1S/C32H50N4O7/c1-32(2,3)43-31(42)36-25(20-22-13-8-5-9-14-22)30(41)34-23-16-17-27(38)33-18-10-15-26(37)28(39)24(35-29(23)40)19-21-11-6-4-7-12-21/h5,8-9,13-14,21,23-26,28,37,39H,4,6-7,10-12,15-20H2,1-3H3,(H,33,38)(H,34,41)(H,35,40)(H,36,42)/t23-,24-,25-,26-,28+/m0/s1
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n/an/a 650n/an/an/an/a7.4n/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for inhibition of human plasma renin at pH 7.4.


J Med Chem 34: 2692-701 (1991)


Article DOI: 10.1021/jm00113a005
BindingDB Entry DOI: 10.7270/Q2P26X4R
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50009624
PNG
(CHEMBL327811 | [1-(13-Cyclohexylmethyl-11,12-dihyd...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
Show InChI InChI=1S/C32H50N4O7/c1-32(2,3)43-31(42)36-25(20-22-13-8-5-9-14-22)30(41)34-23-16-17-27(38)33-18-10-15-26(37)28(39)24(35-29(23)40)19-21-11-6-4-7-12-21/h5,8-9,13-14,21,23-26,28,37,39H,4,6-7,10-12,15-20H2,1-3H3,(H,33,38)(H,34,41)(H,35,40)(H,36,42)/t23-,24-,25-,26+,28+/m0/s1
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n/an/a>2.00E+4n/an/an/an/a7.4n/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for inhibition of human plasma renin at pH 7.4.


J Med Chem 34: 2692-701 (1991)


Article DOI: 10.1021/jm00113a005
BindingDB Entry DOI: 10.7270/Q2P26X4R
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022594
PNG
(CHEMBL356842 | {1-[1-(2-Cyclohexyl-1-formyl-ethylc...)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)C=O
Show InChI InChI=1S/C26H39N3O5/c1-18(23(31)28-21(17-30)15-19-11-7-5-8-12-19)27-24(32)22(16-20-13-9-6-10-14-20)29-25(33)34-26(2,3)4/h6,9-10,13-14,17-19,21-22H,5,7-8,11-12,15-16H2,1-4H3,(H,27,32)(H,28,31)(H,29,33)/t18-,21-,22-/m0/s1
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n/an/a 450n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against renin at 10e-5 (M)


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))
BDBM50022627
PNG
(CHEMBL3142272 | CHEMBL422590 | {1-[1-(2-Cyclohexyl...)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)CC1CCCCC1
Show InChI InChI=1/C26H41N3O5/c1-18(23(31)28-21(17-30)15-19-11-7-5-8-12-19)27-24(32)22(16-20-13-9-6-10-14-20)29-25(33)34-26(2,3)4/h6,9-10,13-14,18-19,21-22,30H,5,7-8,11-12,15-17H2,1-4H3,(H,27,32)(H,28,31)(H,29,33)/t18-,21-,22-/s2
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n/an/a 4.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against 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))
BDBM50022636
PNG
(CHEMBL3142269 | CHEMBL73717 | {1-[1-(1-Cyclohexylm...)
Show SMILES CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC
Show InChI InChI=1S/C30H49N3O6/c1-5-26(34)27(35)23(18-21-13-9-7-10-14-21)31-28(36)24(17-20(3)4)32-29(37)25(33-30(38)39-6-2)19-22-15-11-8-12-16-22/h8,11-12,15-16,20-21,23-27,34-35H,5-7,9-10,13-14,17-19H2,1-4H3,(H,31,36)(H,32,37)(H,33,38)/t23-,24-,25-,26-,27+/m0/s1
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n/an/a 1.10n/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))
BDBM50022594
PNG
(CHEMBL356842 | {1-[1-(2-Cyclohexyl-1-formyl-ethylc...)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)C=O
Show InChI InChI=1S/C26H39N3O5/c1-18(23(31)28-21(17-30)15-19-11-7-5-8-12-19)27-24(32)22(16-20-13-9-6-10-14-20)29-25(33)34-26(2,3)4/h6,9-10,13-14,17-19,21-22H,5,7-8,11-12,15-16H2,1-4H3,(H,27,32)(H,28,31)(H,29,33)/t18-,21-,22-/m0/s1
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n/an/a 460n/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
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM749
PNG
(L-364,505 | tert-butyl N-[(1S)-1-{[(1S)-1-{[(2S,3S...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1/C57H70N6O8/c1-38(2)31-47(53(67)60-46(51(58)65)34-41-25-15-8-16-26-41)61-52(66)44(32-39-21-11-6-12-22-39)37-50(64)45(33-40-23-13-7-14-24-40)59-54(68)48(35-42-27-17-9-18-28-42)62-55(69)49(36-43-29-19-10-20-30-43)63-56(70)71-57(3,4)5/h6-30,38,44-50,64H,31-37H2,1-5H3,(H2,58,65)(H,59,68)(H,60,67)(H,61,66)(H,62,69)(H,63,70)/t44-,45+,46+,47+,48+,49+,50+/s2
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n/an/a 1n/an/an/an/a5.530



Merck Research Laboratories



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...


J Med Chem 34: 1225-8 (1991)


Article DOI: 10.1021/jm00107a050
BindingDB Entry DOI: 10.7270/Q2765CH1
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM750
PNG
(Hydroxyethylene deriv. 1 | tert-butyl N-[(1S)-1-{[...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1/C48H61N5O7/c1-32(2)26-40(45(57)51-39(43(49)55)29-35-22-14-8-15-23-35)52-44(56)37(27-33-18-10-6-11-19-33)31-42(54)38(28-34-20-12-7-13-21-34)50-46(58)41(30-36-24-16-9-17-25-36)53-47(59)60-48(3,4)5/h6-25,32,37-42,54H,26-31H2,1-5H3,(H2,49,55)(H,50,58)(H,51,57)(H,52,56)(H,53,59)/t37-,38+,39+,40+,41+,42+/s2
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n/an/a 20n/an/an/an/a5.530



Merck Research Laboratories



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...


J Med Chem 34: 1225-8 (1991)


Article DOI: 10.1021/jm00107a050
BindingDB Entry DOI: 10.7270/Q2765CH1
More data for this
Ligand-Target Pair