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9 similar compounds to monomer 171372

Compile data set for download or QSAR
Wt: 676.8
BDBM171353
Wt: 662.7
BDBM171354
Wt: 677.8
BDBM171373
Wt: 706.8
BDBM171374
Wt: 705.8
BDBM171375
Wt: 676.8
BDBM171376
Wt: 691.8
BDBM171377
Wt: 676.8
BDBM171379
Wt: 661.8
BDBM171380

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 171353,171354,171373,171374,171375,171376,171377,171379,171380   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protease


(Human immunodeficiency virus 1 (HIV-1))
BDBM171353
PNG
(US9085571, Table 1, Compound 1)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)C(=O)N(C)Cc1oc(C)nc1C
Show InChI InChI=1S/C36H44N4O7S/c1-24(2)21-40(48(44,45)31-17-15-30(46-6)16-18-31)22-33(41)32(19-27-11-8-7-9-12-27)38-35(42)28-13-10-14-29(20-28)36(43)39(5)23-34-25(3)37-26(4)47-34/h7-18,20,24,32-33,41H,19,21-23H2,1-6H3,(H,38,42)/t32-,33+/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.600n/an/an/an/an/an/an/an/a



Purdue Research Foundation

US Patent


Assay Description
Without being bound by theory, it is suggested that the compounds described herein may exert their utility by the inhibition of proteases encoded by ...


US Patent US9085571 (2015)


BindingDB Entry DOI: 10.7270/Q2N01590
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))
BDBM171354
PNG
(US9085571, Table 1, Compound 2)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)C(=O)N(C)Cc1nc(C)co1
Show InChI InChI=1S/C35H42N4O7S/c1-24(2)20-39(47(43,44)30-16-14-29(45-5)15-17-30)21-32(40)31(18-26-10-7-6-8-11-26)37-34(41)27-12-9-13-28(19-27)35(42)38(4)22-33-36-25(3)23-46-33/h6-17,19,23-24,31-32,40H,18,20-22H2,1-5H3,(H,37,41)/t31-,32+/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.600n/a 20n/an/an/an/an/an/a



Purdue Research Foundation

US Patent


Assay Description
Without being bound by theory, it is suggested that the compounds described herein may exert their utility by the inhibition of proteases encoded by ...


US Patent US9085571 (2015)


BindingDB Entry DOI: 10.7270/Q2N01590
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))
BDBM171374
PNG
(US9085571, Table 1, Compound 22)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(OC)cc(c1)C(=O)N(C)Cc1nc(C)oc1C
Show InChI InChI=1S/C37H46N4O8S/c1-24(2)21-41(50(45,46)32-15-13-30(47-6)14-16-32)23-35(42)33(17-27-11-9-8-10-12-27)39-36(43)28-18-29(20-31(19-28)48-7)37(44)40(5)22-34-25(3)49-26(4)38-34/h8-16,18-20,24,33,35,42H,17,21-23H2,1-7H3,(H,39,43)/t33-,35+/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
1n/an/an/an/an/an/an/an/a



Purdue Research Foundation

US Patent


Assay Description
Without being bound by theory, it is suggested that the compounds described herein may exert their utility by the inhibition of proteases encoded by ...


US Patent US9085571 (2015)


BindingDB Entry DOI: 10.7270/Q2N01590
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))
BDBM171380
PNG
(US9085571, Table 1, Compound 28)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)C(=O)N(C)Cc1nc(C)oc1C)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C35H43N5O6S/c1-23(2)20-40(47(44,45)30-16-14-29(36)15-17-30)22-33(41)31(18-26-10-7-6-8-11-26)38-34(42)27-12-9-13-28(19-27)35(43)39(5)21-32-24(3)46-25(4)37-32/h6-17,19,23,31,33,41H,18,20-22,36H2,1-5H3,(H,38,42)/t31-,33+/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
2n/an/an/an/an/an/an/an/a



Purdue Research Foundation

US Patent


Assay Description
Without being bound by theory, it is suggested that the compounds described herein may exert their utility by the inhibition of proteases encoded by ...


US Patent US9085571 (2015)


BindingDB Entry DOI: 10.7270/Q2N01590
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))
BDBM171375
PNG
(US9085571, Table 1, Compound 23)
Show SMILES CNc1cc(cc(c1)C(=O)N(C)Cc1nc(C)oc1C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C37H47N5O7S/c1-24(2)21-42(50(46,47)32-15-13-31(48-7)14-16-32)23-35(43)33(17-27-11-9-8-10-12-27)40-36(44)28-18-29(20-30(19-28)38-5)37(45)41(6)22-34-25(3)49-26(4)39-34/h8-16,18-20,24,33,35,38,43H,17,21-23H2,1-7H3,(H,40,44)/t33-,35+/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
5n/an/an/an/an/an/an/an/a



Purdue Research Foundation

US Patent


Assay Description
Without being bound by theory, it is suggested that the compounds described herein may exert their utility by the inhibition of proteases encoded by ...


US Patent US9085571 (2015)


BindingDB Entry DOI: 10.7270/Q2N01590
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))
BDBM171373
PNG
(US9085571, Table 1, Compound 21)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cncc(c1)C(=O)N(C)Cc1nc(C)oc1C
Show InChI InChI=1S/C35H43N5O7S/c1-23(2)20-40(48(44,45)30-14-12-29(46-6)13-15-30)22-33(41)31(16-26-10-8-7-9-11-26)38-34(42)27-17-28(19-36-18-27)35(43)39(5)21-32-24(3)47-25(4)37-32/h7-15,17-19,23,31,33,41H,16,20-22H2,1-6H3,(H,38,42)/t31-,33+/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
6n/an/an/an/an/an/an/an/a



Purdue Research Foundation

US Patent


Assay Description
Without being bound by theory, it is suggested that the compounds described herein may exert their utility by the inhibition of proteases encoded by ...


US Patent US9085571 (2015)


BindingDB Entry DOI: 10.7270/Q2N01590
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))
BDBM171376
PNG
(US9085571, Table 1, Compound 24)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(=O)N(C)Cc1nc(C)oc1C
Show InChI InChI=1S/C36H44N4O7S/c1-24(2)21-40(48(44,45)31-18-16-30(46-6)17-19-31)23-34(41)32(20-27-10-8-7-9-11-27)38-35(42)28-12-14-29(15-13-28)36(43)39(5)22-33-25(3)47-26(4)37-33/h7-19,24,32,34,41H,20-23H2,1-6H3,(H,38,42)/t32-,34+/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
70n/an/an/an/an/an/an/an/a



Purdue Research Foundation

US Patent


Assay Description
Without being bound by theory, it is suggested that the compounds described herein may exert their utility by the inhibition of proteases encoded by ...


US Patent US9085571 (2015)


BindingDB Entry DOI: 10.7270/Q2N01590
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))
BDBM171377
PNG
(US9085571, Table 1, Compound 25)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(N)cc(c1)C(=O)N(C)Cc1nc(C)oc1C
Show InChI InChI=1S/C36H45N5O7S/c1-23(2)20-41(49(45,46)31-14-12-30(47-6)13-15-31)22-34(42)32(16-26-10-8-7-9-11-26)39-35(43)27-17-28(19-29(37)18-27)36(44)40(5)21-33-24(3)48-25(4)38-33/h7-15,17-19,23,32,34,42H,16,20-22,37H2,1-6H3,(H,39,43)/t32-,34+/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
100n/an/an/an/an/an/an/an/a



Purdue Research Foundation

US Patent


Assay Description
Without being bound by theory, it is suggested that the compounds described herein may exert their utility by the inhibition of proteases encoded by ...


US Patent US9085571 (2015)


BindingDB Entry DOI: 10.7270/Q2N01590
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))
BDBM171379
PNG
(US9085571, Table 1, Compound 27)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1C(=O)N(C)Cc1nc(C)oc1C
Show InChI InChI=1S/C36H44N4O7S/c1-24(2)21-40(48(44,45)29-18-16-28(46-6)17-19-29)23-34(41)32(20-27-12-8-7-9-13-27)38-35(42)30-14-10-11-15-31(30)36(43)39(5)22-33-25(3)47-26(4)37-33/h7-19,24,32,34,41H,20-23H2,1-6H3,(H,38,42)/t32-,34+/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
600n/an/an/an/an/an/an/an/a



Purdue Research Foundation

US Patent


Assay Description
Without being bound by theory, it is suggested that the compounds described herein may exert their utility by the inhibition of proteases encoded by ...


US Patent US9085571 (2015)


BindingDB Entry DOI: 10.7270/Q2N01590
More data for this
Ligand-Target Pair