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41 similar compounds to monomer 50368425

Compile data set for download or QSAR
Wt: 832.0
BDBM50368417
Wt: 909.0
BDBM50368422
Wt: 880.0
BDBM50368432
Wt: 773.9
BDBM50368413
Wt: 959.1
BDBM50368419
Wt: 861.0
BDBM50368429
Wt: 861.0
BDBM50368430
Wt: 818.9
BDBM50006828
Wt: 761.9
BDBM50010498
Wt: 690.8
BDBM50011682
Wt: 674.8
BDBM50000548
Wt: 761.9
BDBM50000764
Wt: 791.9
BDBM50000550
Wt: 861.0
BDBM50000751
Wt: 861.0
BDBM50010495
Displayed 1 to 15 (of 35 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50368417,50368422,50368432,50368413,50368419,50368429,50368430,50006828,50010498,50011682,50000548,50000764,50000550,50000751,50010495   
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
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50006828
PNG
(2-(2-{[1-(3-{2-[2-(2-Amino-3-hydroxy-propionylamin...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H]1CCCN1C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C40H66N8O10/c1-8-24(6)34(39(56)46-33(23(4)5)40(57)58-7)47-38(55)30-15-12-16-48(30)20-31(50)27(18-25-13-10-9-11-14-25)43-37(54)29(19-32(42)51)45-36(53)28(17-22(2)3)44-35(52)26(41)21-49/h9-11,13-14,22-24,26-31,33-34,49-50H,8,12,15-21,41H2,1-7H3,(H2,42,51)(H,43,54)(H,44,52)(H,45,53)(H,46,56)(H,47,55)/t24-,26-,27+,28-,29-,30+,31+,33-,34-/m0/s1
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0.240n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for the inhibition of HIV-Protease, using a peptide hydrolysis assay


J Med Chem 35: 2525-33 (1992)


Article DOI: 10.1021/jm00092a002
BindingDB Entry DOI: 10.7270/Q2PC31C3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50368430
PNG
(CHEMBL1790874 | CHEMBL3349485)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C42H68N8O11/c1-9-25(6)36(41(59)48-35(24(4)5)42(60)61-8)49-40(58)32-16-13-17-50(32)21-33(53)28(19-27-14-11-10-12-15-27)45-38(56)30(20-34(43)54)47-37(55)29(18-23(2)3)46-39(57)31(22-51)44-26(7)52/h10-12,14-15,23-25,28-33,35-36,51,53H,9,13,16-22H2,1-8H3,(H2,43,54)(H,44,52)(H,45,56)(H,46,57)(H,47,55)(H,48,59)(H,49,58)/t25-,28+,29+,30+,31+,32+,33-,35+,36+/m1/s1
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0.240n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Binding affinity to HIV protease


J Med Chem 35: 3803-12 (1992)


Article DOI: 10.1021/jm00099a008
BindingDB Entry DOI: 10.7270/Q2348M0D
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50000751
PNG
(CHEMBL300050)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H]1CCCN1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C42H68N8O11/c1-9-25(6)36(41(59)48-35(24(4)5)42(60)61-8)49-40(58)32-16-13-17-50(32)21-33(53)28(19-27-14-11-10-12-15-27)45-38(56)30(20-34(43)54)47-37(55)29(18-23(2)3)46-39(57)31(22-51)44-26(7)52/h10-12,14-15,23-25,28-33,35-36,51,53H,9,13,16-22H2,1-8H3,(H2,43,54)(H,44,52)(H,45,56)(H,46,57)(H,47,55)(H,48,59)(H,49,58)/t25-,28-,29-,30-,31-,32+,33-,35-,36-/m0/s1
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0.240n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity to HIV-1 protease


J Med Chem 37: 1769-78 (1994)

Checked by Author
Article DOI: 10.1021/jm00038a006
BindingDB Entry DOI: 10.7270/Q2BV7J4D
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50010495
PNG
(Acetyl-Ser-Leu-Asn-Phe-[CH(OH)CH2N]Pro-Ile-Val-OMe...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1CC(O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C42H68N8O11/c1-9-25(6)36(41(59)48-35(24(4)5)42(60)61-8)49-40(58)32-16-13-17-50(32)21-33(53)28(19-27-14-11-10-12-15-27)45-38(56)30(20-34(43)54)47-37(55)29(18-23(2)3)46-39(57)31(22-51)44-26(7)52/h10-12,14-15,23-25,28-33,35-36,51,53H,9,13,16-22H2,1-8H3,(H2,43,54)(H,44,52)(H,45,56)(H,46,57)(H,47,55)(H,48,59)(H,49,58)/t25-,28-,29-,30-,31-,32-,33?,35-,36-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound against HIV protease was measured


J Med Chem 34: 1222-5 (1991)


Article DOI: 10.1021/jm00107a049
BindingDB Entry DOI: 10.7270/Q2057DWM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50368429
PNG
(CHEMBL1790875 | CHEMBL3349486)
Show SMILES CC[C@H](C)[C@H](NC(=O)C1CCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C42H68N8O11/c1-9-25(6)36(41(59)48-35(24(4)5)42(60)61-8)49-40(58)32-16-13-17-50(32)21-33(53)28(19-27-14-11-10-12-15-27)45-38(56)30(20-34(43)54)47-37(55)29(18-23(2)3)46-39(57)31(22-51)44-26(7)52/h10-12,14-15,23-25,28-33,35-36,51,53H,9,13,16-22H2,1-8H3,(H2,43,54)(H,44,52)(H,45,56)(H,46,57)(H,47,55)(H,48,59)(H,49,58)/t25-,28+,29+,30+,31+,32?,33-,35+,36+/m1/s1
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0.600n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Binding affinity to HIV protease


J Med Chem 35: 3803-12 (1992)


Article DOI: 10.1021/jm00099a008
BindingDB Entry DOI: 10.7270/Q2348M0D
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50010495
PNG
(Acetyl-Ser-Leu-Asn-Phe-[CH(OH)CH2N]Pro-Ile-Val-OMe...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1CC(O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C42H68N8O11/c1-9-25(6)36(41(59)48-35(24(4)5)42(60)61-8)49-40(58)32-16-13-17-50(32)21-33(53)28(19-27-14-11-10-12-15-27)45-38(56)30(20-34(43)54)47-37(55)29(18-23(2)3)46-39(57)31(22-51)44-26(7)52/h10-12,14-15,23-25,28-33,35-36,51,53H,9,13,16-22H2,1-8H3,(H2,43,54)(H,44,52)(H,45,56)(H,46,57)(H,47,55)(H,48,59)(H,49,58)/t25-,28-,29-,30-,31-,32-,33?,35-,36-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Roche Products Ltd.

Curated by ChEMBL


Assay Description
The compound was tested for binding activity against HIV-1 Protease


J Med Chem 34: 3340-2 (1991)


Article DOI: 10.1021/jm00115a028
BindingDB Entry DOI: 10.7270/Q2B858Q3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50010495
PNG
(Acetyl-Ser-Leu-Asn-Phe-[CH(OH)CH2N]Pro-Ile-Val-OMe...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1CC(O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C42H68N8O11/c1-9-25(6)36(41(59)48-35(24(4)5)42(60)61-8)49-40(58)32-16-13-17-50(32)21-33(53)28(19-27-14-11-10-12-15-27)45-38(56)30(20-34(43)54)47-37(55)29(18-23(2)3)46-39(57)31(22-51)44-26(7)52/h10-12,14-15,23-25,28-33,35-36,51,53H,9,13,16-22H2,1-8H3,(H2,43,54)(H,44,52)(H,45,56)(H,46,57)(H,47,55)(H,48,59)(H,49,58)/t25-,28-,29-,30-,31-,32-,33?,35-,36-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Roche Products Ltd.

Curated by ChEMBL


Assay Description
Binding activity against HIV-1 Protease


J Med Chem 34: 3340-2 (1991)


Article DOI: 10.1021/jm00115a028
BindingDB Entry DOI: 10.7270/Q2B858Q3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50368422
PNG
(CHEMBL1790871 | CHEMBL3349482)
Show SMILES CC[C@H](C)[C@H](NC(=O)C1CCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC
Show InChI InChI=1S/C46H68N8O11/c1-7-28(4)40(45(63)52-35(46(64)65-6)23-31-17-12-9-13-18-31)53-44(62)37-19-14-20-54(37)25-38(57)32(22-30-15-10-8-11-16-30)49-42(60)34(24-39(47)58)51-41(59)33(21-27(2)3)50-43(61)36(26-55)48-29(5)56/h8-13,15-18,27-28,32-38,40,55,57H,7,14,19-26H2,1-6H3,(H2,47,58)(H,48,56)(H,49,60)(H,50,61)(H,51,59)(H,52,63)(H,53,62)/t28-,32+,33+,34+,35+,36+,37?,38-,40+/m1/s1
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0.670n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Binding affinity to HIV protease


J Med Chem 35: 3803-12 (1992)


Article DOI: 10.1021/jm00099a008
BindingDB Entry DOI: 10.7270/Q2348M0D
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50368413
PNG
(CHEMBL1790873 | CHEMBL3349484)
Show SMILES CC[C@H](C)[C@H](NC(=O)C1CCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C39H63N7O9/c1-9-24(6)34(38(53)44-33(23(4)5)39(54)55-8)45-37(52)30-16-13-17-46(30)21-31(48)27(19-26-14-11-10-12-15-26)42-36(51)29(20-32(40)49)43-35(50)28(18-22(2)3)41-25(7)47/h10-12,14-15,22-24,27-31,33-34,48H,9,13,16-21H2,1-8H3,(H2,40,49)(H,41,47)(H,42,51)(H,43,50)(H,44,53)(H,45,52)/t24-,27+,28+,29+,30?,31-,33+,34+/m1/s1
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4n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Binding affinity to HIV protease


J Med Chem 35: 3803-12 (1992)


Article DOI: 10.1021/jm00099a008
BindingDB Entry DOI: 10.7270/Q2348M0D
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50368419
PNG
(CHEMBL1790872 | CHEMBL3349483)
Show SMILES CC[C@H](C)[C@H](NC(=O)C1CCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)OC
Show InChI InChI=1S/C50H70N8O11/c1-7-30(4)44(49(67)56-39(50(68)69-6)25-33-19-20-34-16-11-12-17-35(34)23-33)57-48(66)41-18-13-21-58(41)27-42(61)36(24-32-14-9-8-10-15-32)53-46(64)38(26-43(51)62)55-45(63)37(22-29(2)3)54-47(65)40(28-59)52-31(5)60/h8-12,14-17,19-20,23,29-30,36-42,44,59,61H,7,13,18,21-22,24-28H2,1-6H3,(H2,51,62)(H,52,60)(H,53,64)(H,54,65)(H,55,63)(H,56,67)(H,57,66)/t30-,36+,37+,38+,39+,40+,41?,42-,44+/m1/s1
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5.10n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Binding affinity to HIV protease


J Med Chem 35: 3803-12 (1992)


Article DOI: 10.1021/jm00099a008
BindingDB Entry DOI: 10.7270/Q2348M0D
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50368432
PNG
(CHEMBL1790879 | CHEMBL3349490)
Show SMILES CC[C@H](C)[C@H](NC(=O)C1CCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C46H69N7O10/c1-9-29(4)39(43(59)51-38(28(2)3)44(60)62-8)52-42(58)35-21-16-24-53(35)27-36(54)33(25-31-19-14-11-15-20-31)48-41(57)34(26-37(47)55)49-40(56)32(50-45(61)63-46(5,6)7)23-22-30-17-12-10-13-18-30/h10-15,17-20,28-29,32-36,38-39,54H,9,16,21-27H2,1-8H3,(H2,47,55)(H,48,57)(H,49,56)(H,50,61)(H,51,59)(H,52,58)/t29-,32+,33+,34+,35?,36-,38+,39+/m1/s1
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20n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Binding affinity to HIV protease


J Med Chem 35: 3803-12 (1992)


Article DOI: 10.1021/jm00099a008
BindingDB Entry DOI: 10.7270/Q2348M0D
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50368417
PNG
(CHEMBL1790887 | CHEMBL3349497)
Show SMILES CC[C@H](C)[C@H](NC(=O)C1CCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C42H69N7O10/c1-11-26(6)35(39(55)47-34(25(4)5)40(56)58-10)48-38(54)31-18-15-19-49(31)23-32(50)28(21-27-16-13-12-14-17-27)44-37(53)30(22-33(43)51)45-36(52)29(20-24(2)3)46-41(57)59-42(7,8)9/h12-14,16-17,24-26,28-32,34-35,50H,11,15,18-23H2,1-10H3,(H2,43,51)(H,44,53)(H,45,52)(H,46,57)(H,47,55)(H,48,54)/t26-,28+,29+,30+,31?,32-,34+,35+/m1/s1
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66n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Binding affinity to HIV protease


J Med Chem 35: 3803-12 (1992)


Article DOI: 10.1021/jm00099a008
BindingDB Entry DOI: 10.7270/Q2348M0D
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50000764
PNG
(CHEMBL444834)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H]1CCCN1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)OC
Show InChI InChI=1S/C37H59N7O10/c1-7-22(4)32(37(53)54-6)43-36(52)29-14-11-15-44(29)19-30(47)25(17-24-12-9-8-10-13-24)40-34(50)27(18-31(38)48)42-33(49)26(16-21(2)3)41-35(51)28(20-45)39-23(5)46/h8-10,12-13,21-22,25-30,32,45,47H,7,11,14-20H2,1-6H3,(H2,38,48)(H,39,46)(H,40,50)(H,41,51)(H,42,49)(H,43,52)/t22-,25-,26-,27-,28-,29+,30-,32-/m0/s1
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417n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity to HIV-1 protease


J Med Chem 37: 1769-78 (1994)

Checked by Author
Article DOI: 10.1021/jm00038a006
BindingDB Entry DOI: 10.7270/Q2BV7J4D
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50000548
PNG
(CHEMBL300714)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H]1CCCN1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)OC
Show InChI InChI=1S/C34H54N6O8/c1-7-21(4)30(34(47)48-6)39-33(46)27-14-11-15-40(27)19-28(42)24(17-23-12-9-8-10-13-23)37-32(45)26(18-29(35)43)38-31(44)25(16-20(2)3)36-22(5)41/h8-10,12-13,20-21,24-28,30,42H,7,11,14-19H2,1-6H3,(H2,35,43)(H,36,41)(H,37,45)(H,38,44)(H,39,46)/t21-,24-,25-,26-,27+,28-,30-/m0/s1
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4.57E+3n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity to HIV-1 protease


J Med Chem 37: 1769-78 (1994)

Checked by Author
Article DOI: 10.1021/jm00038a006
BindingDB Entry DOI: 10.7270/Q2BV7J4D
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50000550
PNG
(CHEMBL298903)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C38H61N7O11/c1-9-22(6)33(37(54)45-32(21(4)5)38(55)56-8)44-31(50)18-29(48)25(16-24-13-11-10-12-14-24)41-35(52)27(17-30(39)49)43-34(51)26(15-20(2)3)42-36(53)28(19-46)40-23(7)47/h10-14,20-22,25-29,32-33,46,48H,9,15-19H2,1-8H3,(H2,39,49)(H,40,47)(H,41,52)(H,42,53)(H,43,51)(H,44,50)(H,45,54)/t22-,25-,26-,27-,28-,29-,32-,33-/m0/s1
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7.94E+3n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity to HIV-1 protease


J Med Chem 37: 1769-78 (1994)

Checked by Author
Article DOI: 10.1021/jm00038a006
BindingDB Entry DOI: 10.7270/Q2BV7J4D
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50000550
PNG
(CHEMBL298903)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C38H61N7O11/c1-9-22(6)33(37(54)45-32(21(4)5)38(55)56-8)44-31(50)18-29(48)25(16-24-13-11-10-12-14-24)41-35(52)27(17-30(39)49)43-34(51)26(15-20(2)3)42-36(53)28(19-46)40-23(7)47/h10-14,20-22,25-29,32-33,46,48H,9,15-19H2,1-8H3,(H2,39,49)(H,40,47)(H,41,52)(H,42,53)(H,43,51)(H,44,50)(H,45,54)/t22-,25-,26-,27-,28-,29-,32-,33-/m0/s1
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8.00E+3n/an/an/an/an/an/a6.4n/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV Protease was measured at pH 6.4 and 37 degrees C


J Med Chem 33: 1285-8 (1990)


Article DOI: 10.1021/jm00167a003
BindingDB Entry DOI: 10.7270/Q2SB44QS
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50010495
PNG
(Acetyl-Ser-Leu-Asn-Phe-[CH(OH)CH2N]Pro-Ile-Val-OMe...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1CC(O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C42H68N8O11/c1-9-25(6)36(41(59)48-35(24(4)5)42(60)61-8)49-40(58)32-16-13-17-50(32)21-33(53)28(19-27-14-11-10-12-15-27)45-38(56)30(20-34(43)54)47-37(55)29(18-23(2)3)46-39(57)31(22-51)44-26(7)52/h10-12,14-15,23-25,28-33,35-36,51,53H,9,13,16-22H2,1-8H3,(H2,43,54)(H,44,52)(H,45,56)(H,46,57)(H,47,55)(H,48,59)(H,49,58)/t25-,28-,29-,30-,31-,32-,33?,35-,36-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound against HIV protease was measured


J Med Chem 34: 1222-5 (1991)


Article DOI: 10.1021/jm00107a049
BindingDB Entry DOI: 10.7270/Q2057DWM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50011682
PNG
(Ac-Ser-Leu-Asn-Phe-HEA(S)-Pro-O-terbutyl | BDBM504...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCC[C@H]1C(=O)OC(C)(C)C
Show InChI InChI=1S/C34H54N6O9/c1-20(2)15-24(38-32(47)26(19-41)36-21(3)42)30(45)39-25(17-29(35)44)31(46)37-23(16-22-11-8-7-9-12-22)28(43)18-40-14-10-13-27(40)33(48)49-34(4,5)6/h7-9,11-12,20,23-28,41,43H,10,13-19H2,1-6H3,(H2,35,44)(H,36,42)(H,37,46)(H,38,47)(H,39,45)/t23-,24+,25?,26?,27+,28-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibitory potency against HIV-1 protease


J Med Chem 36: 4152-60 (1994)


Article DOI: 10.1021/jm00078a003
BindingDB Entry DOI: 10.7270/Q2PK0HCT
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50011682
PNG
(Ac-Ser-Leu-Asn-Phe-HEA(S)-Pro-O-terbutyl | BDBM504...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCC[C@H]1C(=O)OC(C)(C)C
Show InChI InChI=1S/C34H54N6O9/c1-20(2)15-24(38-32(47)26(19-41)36-21(3)42)30(45)39-25(17-29(35)44)31(46)37-23(16-22-11-8-7-9-12-22)28(43)18-40-14-10-13-27(40)33(48)49-34(4,5)6/h7-9,11-12,20,23-28,41,43H,10,13-19H2,1-6H3,(H2,35,44)(H,36,42)(H,37,46)(H,38,47)(H,39,45)/t23-,24+,25?,26?,27+,28-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
In vitro concentration of the compound required to inhibit 50% activity of HIV protease was measured


J Med Chem 34: 1222-5 (1991)


Article DOI: 10.1021/jm00107a049
BindingDB Entry DOI: 10.7270/Q2057DWM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50010498
PNG
(CHEMBL115376 | methyl 2-[1-(3-{2-carbamoyl-1-[1-(2...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1CC(O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)OC
Show InChI InChI=1S/C37H59N7O10/c1-7-22(4)32(37(53)54-6)43-36(52)29-14-11-15-44(29)19-30(47)25(17-24-12-9-8-10-13-24)40-34(50)27(18-31(38)48)42-33(49)26(16-21(2)3)41-35(51)28(20-45)39-23(5)46/h8-10,12-13,21-22,25-30,32,45,47H,7,11,14-20H2,1-6H3,(H2,38,48)(H,39,46)(H,40,50)(H,41,51)(H,42,49)(H,43,52)/t22-,25-,26-,27-,28-,29-,30?,32-/m0/s1
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n/an/a 420n/an/an/an/an/an/a



Roche Products Ltd.

Curated by ChEMBL


Assay Description
Binding activity against HIV-1 Protease


J Med Chem 34: 3340-2 (1991)


Article DOI: 10.1021/jm00115a028
BindingDB Entry DOI: 10.7270/Q2B858Q3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50010498
PNG
(CHEMBL115376 | methyl 2-[1-(3-{2-carbamoyl-1-[1-(2...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1CC(O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)OC
Show InChI InChI=1S/C37H59N7O10/c1-7-22(4)32(37(53)54-6)43-36(52)29-14-11-15-44(29)19-30(47)25(17-24-12-9-8-10-13-24)40-34(50)27(18-31(38)48)42-33(49)26(16-21(2)3)41-35(51)28(20-45)39-23(5)46/h8-10,12-13,21-22,25-30,32,45,47H,7,11,14-20H2,1-6H3,(H2,38,48)(H,39,46)(H,40,50)(H,41,51)(H,42,49)(H,43,52)/t22-,25-,26-,27-,28-,29-,30?,32-/m0/s1
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n/an/a 420n/an/an/an/an/an/a



Roche Products Ltd.

Curated by ChEMBL


Assay Description
Binding activity against HIV-1 Protease


J Med Chem 34: 3340-2 (1991)


Article DOI: 10.1021/jm00115a028
BindingDB Entry DOI: 10.7270/Q2B858Q3
More data for this
Ligand-Target Pair