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Compile Data Set for Download or QSAR

Found 52 hits of ic50 data for polymerid = 4940   
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
HIV-1 protease


(Human immunodeficiency virus)
BDBM122997
PNG
(US8742158, EX 19)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](Cc1ccccc1Br)NC(=O)c1cccc(=O)[nH]1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C31H40BrN5O6S/c1-21(2)19-37(44(42,43)25-15-13-23(33)14-16-25)24(20-38)9-5-6-17-34-30(40)28(18-22-8-3-4-10-26(22)32)36-31(41)27-11-7-12-29(39)35-27/h3-4,7-8,10-16,21,24,28,38H,5-6,9,17-20,33H2,1-2H3,(H,34,40)(H,35,39)(H,36,41)/t24-,28-/m0/s1
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TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM122988
PNG
(US8742158, EX. 41)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H](Cc1ccccc1Br)NC(=O)c1ccc2OCOc2c1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C33H41BrN4O7S/c1-22(2)19-38(46(42,43)27-13-11-25(35)12-14-27)26(20-39)8-5-6-16-36-33(41)29(17-23-7-3-4-9-28(23)34)37-32(40)24-10-15-30-31(18-24)45-21-44-30/h3-4,7,9-15,18,22,26,29,39H,5-6,8,16-17,19-21,35H2,1-2H3,(H,36,41)(H,37,40)/t26-,29+/m0/s1
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TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM122987
PNG
(US8742158, EX. 46)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H](Cc1ccccc1Br)NC(=O)c1cccnc1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C31H40BrN5O5S/c1-22(2)20-37(43(41,42)27-14-12-25(33)13-15-27)26(21-38)10-5-6-17-35-31(40)29(18-23-8-3-4-11-28(23)32)36-30(39)24-9-7-16-34-19-24/h3-4,7-9,11-16,19,22,26,29,38H,5-6,10,17-18,20-21,33H2,1-2H3,(H,35,40)(H,36,39)/t26-,29+/m0/s1
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TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM122977
PNG
(US8742158, EX 58)
Show SMILES CN[C@@H](C(C1CC=CC=C1)c1ccccc1)C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C32H46N4O4S/c1-24(2)22-36(41(39,40)29-19-17-27(33)18-20-29)28(23-37)16-10-11-21-35-32(38)31(34-3)30(25-12-6-4-7-13-25)26-14-8-5-9-15-26/h4-9,12-14,17-20,24,26,28,30-31,34,37H,10-11,15-16,21-23,33H2,1-3H3,(H,35,38)/t26?,28-,30?,31-/m0/s1
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TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM122978
PNG
(US8742158, EX 61)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H](NC(=O)NCC1=CCCN=C1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C38H50N6O5S/c1-28(2)26-44(50(48,49)34-20-18-32(39)19-21-34)33(27-45)17-9-10-23-41-37(46)36(43-38(47)42-25-29-12-11-22-40-24-29)35(30-13-5-3-6-14-30)31-15-7-4-8-16-31/h3-8,12-16,18-21,24,28,33,35-36,45H,9-11,17,22-23,25-27,39H2,1-2H3,(H,41,46)(H2,42,43,47)/t33-,36-/m0/s1
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TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM122985
PNG
(US8742158, EX. 44)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](Cc1ccccc1Br)NC(=O)c1cnccn1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C30H39BrN6O5S/c1-21(2)19-37(43(41,42)25-12-10-23(32)11-13-25)24(20-38)8-5-6-14-35-29(39)27(17-22-7-3-4-9-26(22)31)36-30(40)28-18-33-15-16-34-28/h3-4,7,9-13,15-16,18,21,24,27,38H,5-6,8,14,17,19-20,32H2,1-2H3,(H,35,39)(H,36,40)/t24-,27-/m0/s1
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TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM122993
PNG
(US8742158, EX 36)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](Cc1ccccc1Br)NC(=O)c1ncccc1C)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C32H42BrN5O5S/c1-22(2)20-38(44(42,43)27-15-13-25(34)14-16-27)26(21-39)11-6-7-17-36-31(40)29(19-24-10-4-5-12-28(24)33)37-32(41)30-23(3)9-8-18-35-30/h4-5,8-10,12-16,18,22,26,29,39H,6-7,11,17,19-21,34H2,1-3H3,(H,36,40)(H,37,41)/t26-,29-/m0/s1
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TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM122980
PNG
(US8742158, EX. 7)
Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)NCCCC[C@@H](N(CC(C)C)S(=O)(=O)c1ccc(N)cc1)C(N)=O
Show InChI InChI=1S/C33H43N5O6S/c1-23(2)22-38(45(42,43)27-19-17-26(34)18-20-27)28(31(35)39)16-10-11-21-36-32(40)30(37-33(41)44-3)29(24-12-6-4-7-13-24)25-14-8-5-9-15-25/h4-9,12-15,17-20,23,28-30H,10-11,16,21-22,34H2,1-3H3,(H2,35,39)(H,36,40)(H,37,41)/t28-,30+/m1/s1
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TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM122979
PNG
(US8742158, EX 62)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H](NC(=O)NCc1ccncc1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C38H48N6O5S/c1-28(2)26-44(50(48,49)34-18-16-32(39)17-19-34)33(27-45)15-9-10-22-41-37(46)36(43-38(47)42-25-29-20-23-40-24-21-29)35(30-11-5-3-6-12-30)31-13-7-4-8-14-31/h3-8,11-14,16-21,23-24,28,33,35-36,45H,9-10,15,22,25-27,39H2,1-2H3,(H,41,46)(H2,42,43,47)/t33-,36-/m0/s1
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TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM122991
PNG
(US8742158, EX. 40)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](Cc1ccccc1Br)NC(=O)c1ccc(C)nc1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C32H42BrN5O5S/c1-22(2)20-38(44(42,43)28-15-13-26(34)14-16-28)27(21-39)9-6-7-17-35-32(41)30(18-24-8-4-5-10-29(24)33)37-31(40)25-12-11-23(3)36-19-25/h4-5,8,10-16,19,22,27,30,39H,6-7,9,17-18,20-21,34H2,1-3H3,(H,35,41)(H,37,40)/t27-,30-/m0/s1
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TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM122990
PNG
(US8742158, EX. 39)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](Cc1ccccc1Br)NC(=O)c1cccnc1C)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C32H42BrN5O5S/c1-22(2)20-38(44(42,43)27-15-13-25(34)14-16-27)26(21-39)10-6-7-17-36-32(41)30(19-24-9-4-5-12-29(24)33)37-31(40)28-11-8-18-35-23(28)3/h4-5,8-9,11-16,18,22,26,30,39H,6-7,10,17,19-21,34H2,1-3H3,(H,36,41)(H,37,40)/t26-,30-/m0/s1
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TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM122983
PNG
(US8742158, EX. 9)
Show SMILES CC(C)CN(C(CCCCNC(=O)[C@H](CC1=C2C=CC=CC2CC=C1)NC(=O)N1CCOCC1)C(N)=O)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C34H48N6O6S/c1-24(2)23-40(47(44,45)28-15-13-27(35)14-16-28)31(32(36)41)12-5-6-17-37-33(42)30(38-34(43)39-18-20-46-21-19-39)22-26-10-7-9-25-8-3-4-11-29(25)26/h3-4,7-8,10-11,13-16,24-25,30-31H,5-6,9,12,17-23,35H2,1-2H3,(H2,36,41)(H,37,42)(H,38,43)/t25?,30-,31?/m0/s1
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TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM123000
PNG
(US8742158, EX 17)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](Cc1ccccc1Br)NC(=O)N1CCOCC1)S(=O)(=O)c1ccc2OCCc2c1
Show InChI InChI=1S/C32H45BrN4O7S/c1-23(2)21-37(45(41,42)27-10-11-30-25(19-27)12-16-44-30)26(22-38)8-5-6-13-34-31(39)29(20-24-7-3-4-9-28(24)33)35-32(40)36-14-17-43-18-15-36/h3-4,7,9-11,19,23,26,29,38H,5-6,8,12-18,20-22H2,1-2H3,(H,34,39)(H,35,40)/t26-,29-/m0/s1
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TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM122996
PNG
(US8742158, EX 18)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](Cc1ccccc1Br)NC(=O)c1cccc(O)c1C)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C33H43BrN4O6S/c1-22(2)20-38(45(43,44)27-16-14-25(35)15-17-27)26(21-39)10-6-7-18-36-33(42)30(19-24-9-4-5-12-29(24)34)37-32(41)28-11-8-13-31(40)23(28)3/h4-5,8-9,11-17,22,26,30,39-40H,6-7,10,18-21,35H2,1-3H3,(H,36,42)(H,37,41)/t26-,30-/m0/s1
PDB
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TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM122976
PNG
(US8742158, EX 57)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H](NS(=O)(=O)c1cccs1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C35H44N4O6S3/c1-26(2)24-39(48(44,45)31-20-18-29(36)19-21-31)30(25-40)16-9-10-22-37-35(41)34(38-47(42,43)32-17-11-23-46-32)33(27-12-5-3-6-13-27)28-14-7-4-8-15-28/h3-8,11-15,17-21,23,26,30,33-34,38,40H,9-10,16,22,24-25,36H2,1-2H3,(H,37,41)/t30-,34-/m0/s1
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TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM122986
PNG
(US8742158, EX. 45)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H](Cc1ccccc1Br)NC(=O)c1ccccn1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C31H40BrN5O5S/c1-22(2)20-37(43(41,42)26-15-13-24(33)14-16-26)25(21-38)10-5-7-18-35-30(39)29(19-23-9-3-4-11-27(23)32)36-31(40)28-12-6-8-17-34-28/h3-4,6,8-9,11-17,22,25,29,38H,5,7,10,18-21,33H2,1-2H3,(H,35,39)(H,36,40)/t25-,29+/m0/s1
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TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM122989
PNG
(US8742158, EX. 42)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)C(Cc1ccccc1Br)NC(=O)c1ccncc1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C31H40BrN5O5S/c1-22(2)20-37(43(41,42)27-12-10-25(33)11-13-27)26(21-38)8-5-6-16-35-31(40)29(19-24-7-3-4-9-28(24)32)36-30(39)23-14-17-34-18-15-23/h3-4,7,9-15,17-18,22,26,29,38H,5-6,8,16,19-21,33H2,1-2H3,(H,35,40)(H,36,39)/t26-,29?/m0/s1
PDB
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TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM122980
PNG
(US8742158, EX. 7)
Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)NCCCC[C@@H](N(CC(C)C)S(=O)(=O)c1ccc(N)cc1)C(N)=O
Show InChI InChI=1S/C33H43N5O6S/c1-23(2)22-38(45(42,43)27-19-17-26(34)18-20-27)28(31(35)39)16-10-11-21-36-32(40)30(37-33(41)44-3)29(24-12-6-4-7-13-24)25-14-8-5-9-15-25/h4-9,12-15,17-20,23,28-30H,10-11,16,21-22,34H2,1-3H3,(H2,35,39)(H,36,40)(H,37,41)/t28-,30+/m1/s1
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US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM122994
PNG
(US8742158, EX 37)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](Cc1ccccc1Br)NC(=O)c1ccc(C)c(O)c1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C33H43BrN4O6S/c1-22(2)20-38(45(43,44)28-15-13-26(35)14-16-28)27(21-39)9-6-7-17-36-33(42)30(18-24-8-4-5-10-29(24)34)37-32(41)25-12-11-23(3)31(40)19-25/h4-5,8,10-16,19,22,27,30,39-40H,6-7,9,17-18,20-21,35H2,1-3H3,(H,36,42)(H,37,41)/t27-,30-/m0/s1
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TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM122992
PNG
(US8742158, EX. 43)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](Cc1ccccc1Br)NC(=O)C1=NCC(C)N=C1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C31H43BrN6O5S/c1-21(2)19-38(44(42,43)26-13-11-24(33)12-14-26)25(20-39)9-6-7-15-34-30(40)28(16-23-8-4-5-10-27(23)32)37-31(41)29-18-35-22(3)17-36-29/h4-5,8,10-14,18,21-22,25,28,39H,6-7,9,15-17,19-20,33H2,1-3H3,(H,34,40)(H,37,41)/t22?,25-,28-/m0/s1
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TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM122974
PNG
(US8742158, EX 55)
Show SMILES CCC(=O)NC(=O)N(C)CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C36H50N6O7S/c1-5-33(44)40-36(47)41(4)23-34(45)39-32(21-26-13-14-27-10-6-7-11-28(27)20-26)35(46)38-19-9-8-12-30(24-43)42(22-25(2)3)50(48,49)31-17-15-29(37)16-18-31/h6-7,10-11,13-18,20,25,30,32,43H,5,8-9,12,19,21-24,37H2,1-4H3,(H,38,46)(H,39,45)(H,40,44,47)/t30-,32-/m0/s1
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TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM123002
PNG
(US8742158, EX 32)
Show SMILES COC(=O)N[C@@H](C(C1=CC=CCC1)c1ccccc1)C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc2OCCc2c1
Show InChI InChI=1S/C35H47N3O7S/c1-25(2)23-38(46(42,43)30-17-18-31-28(22-30)19-21-45-31)29(24-39)16-10-11-20-36-34(40)33(37-35(41)44-3)32(26-12-6-4-7-13-26)27-14-8-5-9-15-27/h4-8,12-14,17-18,22,25,29,32-33,39H,9-11,15-16,19-21,23-24H2,1-3H3,(H,36,40)(H,37,41)/t29-,32?,33-/m0/s1
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TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM122995
PNG
(US8742158, EX 38)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](Cc1ccccc1Br)NC(=O)OCc1ccncc1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C32H42BrN5O6S/c1-23(2)20-38(45(42,43)28-12-10-26(34)11-13-28)27(21-39)8-5-6-16-36-31(40)30(19-25-7-3-4-9-29(25)33)37-32(41)44-22-24-14-17-35-18-15-24/h3-4,7,9-15,17-18,23,27,30,39H,5-6,8,16,19-22,34H2,1-2H3,(H,36,40)(H,37,41)/t27-,30-/m0/s1
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TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM123012
PNG
(US8742158, EX 63)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](Cc1ccccc1C)NC(=O)c1ccc(C)c(O)c1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C34H46N4O6S/c1-23(2)21-38(45(43,44)30-16-14-28(35)15-17-30)29(22-39)11-7-8-18-36-34(42)31(19-26-10-6-5-9-24(26)3)37-33(41)27-13-12-25(4)32(40)20-27/h5-6,9-10,12-17,20,23,29,31,39-40H,7-8,11,18-19,21-22,35H2,1-4H3,(H,36,42)(H,37,41)/t29-,31-/m0/s1
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TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM123003
PNG
(US8742158, EX 34)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H](NC(=O)N1CCOCC1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc2OCCc2c1
Show InChI InChI=1S/C38H50N4O7S/c1-28(2)26-42(50(46,47)33-16-17-34-31(25-33)18-22-49-34)32(27-43)15-9-10-19-39-37(44)36(40-38(45)41-20-23-48-24-21-41)35(29-11-5-3-6-12-29)30-13-7-4-8-14-30/h3-8,11-14,16-17,25,28,32,35-36,43H,9-10,15,18-24,26-27H2,1-2H3,(H,39,44)(H,40,45)/t32-,36-/m0/s1
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TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM122998
PNG
(US8742158, EX 15)
Show SMILES CC(C)CN(Sc1ccc2OCCc2c1)[C@H](CO)CCCCNC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)N1CCOCC1
Show InChI InChI=1S/C36H48N4O5S/c1-26(2)24-40(46-31-13-14-34-29(22-31)15-19-45-34)30(25-41)11-5-6-16-37-35(42)33(38-36(43)39-17-20-44-21-18-39)23-28-10-7-9-27-8-3-4-12-32(27)28/h3-4,7-10,12-14,22,26,30,33,41H,5-6,11,15-21,23-25H2,1-2H3,(H,37,42)(H,38,43)/t30-,33+/m0/s1
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TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM122981
PNG
(US8742158, EX. 33)
Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)NCCCC[C@@H](CO)N(Cc1cccnc1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C35H41N5O6S/c1-46-35(43)39-33(32(27-12-4-2-5-13-27)28-14-6-3-7-15-28)34(42)38-22-9-8-16-30(25-41)40(24-26-11-10-21-37-23-26)47(44,45)31-19-17-29(36)18-20-31/h2-7,10-15,17-21,23,30,32-33,41H,8-9,16,22,24-25,36H2,1H3,(H,38,42)(H,39,43)/t30-,33-/m0/s1
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TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM122982
PNG
(US8742158, EX. 8)
Show SMILES CC(C)CN(C(CCCCNC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(N)=O)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C33H43N5O5S/c1-23(2)22-38(44(42,43)28-19-17-27(34)18-20-28)29(32(35)40)16-10-11-21-36-33(41)31(37-24(3)39)30(25-12-6-4-7-13-25)26-14-8-5-9-15-26/h4-9,12-15,17-20,23,29-31H,10-11,16,21-22,34H2,1-3H3,(H2,35,40)(H,36,41)(H,37,39)/t29?,31-/m0/s1
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TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM122984
PNG
(US8742158, EX. 10)
Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)NCCCCC(N(CC(C)C)S(=O)(=O)c1ccc(N)cc1)C(N)=O
Show InChI InChI=1S/C33H43N5O6S/c1-23(2)22-38(45(42,43)27-19-17-26(34)18-20-27)28(31(35)39)16-10-11-21-36-32(40)30(37-33(41)44-3)29(24-12-6-4-7-13-24)25-14-8-5-9-15-25/h4-9,12-15,17-20,23,28-30H,10-11,16,21-22,34H2,1-3H3,(H2,35,39)(H,36,40)(H,37,41)/t28?,30-/m0/s1
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TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM123009
PNG
(US8742138, 37 | US8742158, EX 21)
Show SMILES OC(=O)CNC(=O)c1c2ccc(Br)cc2c(O)oc1=O
Show InChI InChI=1S/C12H8BrNO6/c13-5-1-2-6-7(3-5)11(18)20-12(19)9(6)10(17)14-4-8(15)16/h1-3,18H,4H2,(H,14,17)(H,15,16)
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TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM123010
PNG
(US8742138, 38 | US8742158, EX 22)
Show SMILES C[C@H](NC(=O)c1c2c(cccc2c(O)oc1=O)-c1cccc(c1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C20H14F3NO6/c1-9(17(26)27)24-16(25)15-14-12(6-3-7-13(14)18(28)30-19(15)29)10-4-2-5-11(8-10)20(21,22)23/h2-9,28H,1H3,(H,24,25)(H,26,27)/t9-/m0/s1
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TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM123008
PNG
(US8742158, EX 20)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](Cc1ccccc1C)NC(=O)c1cccnc1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C32H43N5O5S/c1-23(2)21-37(43(41,42)29-15-13-27(33)14-16-29)28(22-38)12-6-7-18-35-32(40)30(19-25-10-5-4-9-24(25)3)36-31(39)26-11-8-17-34-20-26/h4-5,8-11,13-17,20,23,28,30,38H,6-7,12,18-19,21-22,33H2,1-3H3,(H,35,40)(H,36,39)/t28-,30-/m0/s1
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TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM122999
PNG
(US8742158, EX 16)
Show SMILES CC(C)CN(Sc1ccc2OCCOc2c1)[C@H](CO)CCCCNC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)N1CCOCC1
Show InChI InChI=1S/C36H48N4O6S/c1-26(2)24-40(47-30-13-14-33-34(23-30)46-21-20-45-33)29(25-41)11-5-6-15-37-35(42)32(38-36(43)39-16-18-44-19-17-39)22-28-10-7-9-27-8-3-4-12-31(27)28/h3-4,7-10,12-14,23,26,29,32,41H,5-6,11,15-22,24-25H2,1-2H3,(H,37,42)(H,38,43)/t29-,32+/m0/s1
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TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM123007
PNG
(US8742158, EX 30)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](Cc1ccccc1Cl)NC(=O)c1cccnc1C)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C32H42ClN5O5S/c1-22(2)20-38(44(42,43)27-15-13-25(34)14-16-27)26(21-39)10-6-7-17-36-32(41)30(19-24-9-4-5-12-29(24)33)37-31(40)28-11-8-18-35-23(28)3/h4-5,8-9,11-16,18,22,26,30,39H,6-7,10,17,19-21,34H2,1-3H3,(H,36,41)(H,37,40)/t26-,30-/m0/s1
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TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM123005
PNG
(US8742158, EX 27)
Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)NCCCC[C@H](CO)N(CC(C)C)S(=O)(=O)c1cccc2cccnc12
Show InChI InChI=1S/C36H44N4O6S/c1-26(2)24-40(47(44,45)31-21-12-18-29-19-13-23-37-33(29)31)30(25-41)20-10-11-22-38-35(42)34(39-36(43)46-3)32(27-14-6-4-7-15-27)28-16-8-5-9-17-28/h4-9,12-19,21,23,26,30,32,34,41H,10-11,20,22,24-25H2,1-3H3,(H,38,42)(H,39,43)/t30-,34+/m1/s1
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TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM123014
PNG
(US8742158, EX 25)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)c1cccnc1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C31H47N5O5S/c1-23(2)21-36(42(40,41)28-15-13-26(32)14-16-28)27(22-37)12-6-7-18-34-31(39)29(19-24-9-4-3-5-10-24)35-30(38)25-11-8-17-33-20-25/h8,11,13-17,20,23-24,27,29,37H,3-7,9-10,12,18-19,21-22,32H2,1-2H3,(H,34,39)(H,35,38)/t27-,29-/m0/s1
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TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM123004
PNG
(US8742158, EX 35)
Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)NCCCC[C@H](CO)N(CC(C)C)S(=O)(=O)c1ccc2OCCN(C)c2c1
Show InChI InChI=1S/C36H48N4O7S/c1-26(2)24-40(48(44,45)30-18-19-32-31(23-30)39(3)21-22-47-32)29(25-41)17-11-12-20-37-35(42)34(38-36(43)46-4)33(27-13-7-5-8-14-27)28-15-9-6-10-16-28/h5-10,13-16,18-19,23,26,29,33-34,41H,11-12,17,20-22,24-25H2,1-4H3,(H,37,42)(H,38,43)/t29-,34+/m1/s1
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US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM123015
PNG
(US8742158, EX 26)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(C)nc1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C32H49N5O5S/c1-23(2)21-37(43(41,42)29-16-14-27(33)15-17-29)28(22-38)11-7-8-18-34-32(40)30(19-25-9-5-4-6-10-25)36-31(39)26-13-12-24(3)35-20-26/h12-17,20,23,25,28,30,38H,4-11,18-19,21-22,33H2,1-3H3,(H,34,40)(H,36,39)/t28-,30-/m0/s1
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TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM123001
PNG
(US8742158, EX 31)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](CC1=C(Br)CCC=C1)NC(=O)N1CCOCC1)S(=O)(=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C32H47BrN4O8S/c1-23(2)21-37(46(41,42)26-10-11-29-30(20-26)45-18-17-44-29)25(22-38)8-5-6-12-34-31(39)28(19-24-7-3-4-9-27(24)33)35-32(40)36-13-15-43-16-14-36/h3,7,10-11,20,23,25,28,38H,4-6,8-9,12-19,21-22H2,1-2H3,(H,34,39)(H,35,40)/t25-,28-/m0/s1
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TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM123006
PNG
(US8742158, EX 29)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](Cc1ccccc1Cl)NC(=O)c1ccncc1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C31H40ClN5O5S/c1-22(2)20-37(43(41,42)27-12-10-25(33)11-13-27)26(21-38)8-5-6-16-35-31(40)29(19-24-7-3-4-9-28(24)32)36-30(39)23-14-17-34-18-15-23/h3-4,7,9-15,17-18,22,26,29,38H,5-6,8,16,19-21,33H2,1-2H3,(H,35,40)(H,36,39)/t26-,29-/m0/s1
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TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM123011
PNG
(US8742158, EX 23)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](Cc1ccccc1C)NC(=O)c1cccc(C)c1O)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C34H46N4O6S/c1-23(2)21-38(45(43,44)29-17-15-27(35)16-18-29)28(22-39)13-7-8-19-36-34(42)31(20-26-12-6-5-10-24(26)3)37-33(41)30-14-9-11-25(4)32(30)40/h5-6,9-12,14-18,23,28,31,39-40H,7-8,13,19-22,35H2,1-4H3,(H,36,42)(H,37,41)/t28-,31-/m0/s1
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TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM122973
PNG
(US8742158, EX 48)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](Cc1ccc2ccccc2c1)NS(=O)(=O)c1ccc2C(C)CCOc2c1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C39H50N4O7S2/c1-27(2)25-43(52(48,49)34-15-13-32(40)14-16-34)33(26-44)10-6-7-20-41-39(45)37(23-29-11-12-30-8-4-5-9-31(30)22-29)42-51(46,47)35-17-18-36-28(3)19-21-50-38(36)24-35/h4-5,8-9,11-18,22,24,27-28,33,37,42,44H,6-7,10,19-21,23,25-26,40H2,1-3H3,(H,41,45)/t28?,33-,37-/m0/s1
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TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM123013
PNG
(US8742158, EX 24)
Show SMILES COC(=O)N[C@@H](CC1CCCCC1)C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C27H46N4O6S/c1-20(2)18-31(38(35,36)24-14-12-22(28)13-15-24)23(19-32)11-7-8-16-29-26(33)25(30-27(34)37-3)17-21-9-5-4-6-10-21/h12-15,20-21,23,25,32H,4-11,16-19,28H2,1-3H3,(H,29,33)(H,30,34)/t23-,25-/m0/s1
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TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM122975
PNG
(US8742158, EX 56)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](Cc1ccc2ccccc2c1)NCc1ccccn1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C35H45N5O4S/c1-26(2)24-40(45(43,44)33-17-15-30(36)16-18-33)32(25-41)12-6-8-20-38-35(42)34(39-23-31-11-5-7-19-37-31)22-27-13-14-28-9-3-4-10-29(28)21-27/h3-5,7,9-11,13-19,21,26,32,34,39,41H,6,8,12,20,22-25,36H2,1-2H3,(H,38,42)/t32-,34-/m0/s1
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n/an/a 5.90n/an/an/an/an/an/a



TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM84460
PNG
(HIV-1 PR Inhibitor, compound 6)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)n1cc(COC(=O)N[C@@H]2[C@H](O)Cc3ccccc23)nn1
Show InChI InChI=1S/C34H41N5O7S/c1-23(2)19-38(47(43,44)28-15-13-27(45-3)14-16-28)21-32(41)30(17-24-9-5-4-6-10-24)39-20-26(36-37-39)22-46-34(42)35-33-29-12-8-7-11-25(29)18-31(33)40/h4-16,20,23,30-33,40-41H,17-19,21-22H2,1-3H3,(H,35,42)/t30-,31+,32+,33-/m0/s1
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Assay Description
The inhibition activity against HIV-1 PR and three mutants (G48V, V82F, V82A)were done in 96 well microtiter plate and were assayed. Wells that show...


Chembiochem 4: 1246-8 (2003)

More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM84461
PNG
(HIV-1 PR Inhibitor, compound 8)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)n1cc(CNC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)nn1
Show InChI InChI=1S/C37H48N6O7S/c1-26(2)23-42(51(47,48)32-18-16-31(49-6)17-19-32)25-34(44)33(20-27-10-8-7-9-11-27)43-24-30(40-41-43)22-38-35(45)29-14-12-28(13-15-29)21-39-36(46)50-37(3,4)5/h7-19,24,26,33-34,44H,20-23,25H2,1-6H3,(H,38,45)(H,39,46)/t33-,34+/m0/s1
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4n/a 13n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
The inhibition activity against HIV-1 PR and three mutants (G48V, V82F, V82A)were done in 96 well microtiter plate and were assayed. Wells that show...


Chembiochem 4: 1246-8 (2003)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 protease


(Human immunodeficiency virus)
BDBM84461
PNG
(HIV-1 PR Inhibitor, compound 8)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)n1cc(CNC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)nn1
Show InChI InChI=1S/C37H48N6O7S/c1-26(2)23-42(51(47,48)32-18-16-31(49-6)17-19-32)25-34(44)33(20-27-10-8-7-9-11-27)43-24-30(40-41-43)22-38-35(45)29-14-12-28(13-15-29)21-39-36(46)50-37(3,4)5/h7-19,24,26,33-34,44H,20-23,25H2,1-6H3,(H,38,45)(H,39,46)/t33-,34+/m0/s1
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9.70n/a 17n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
The inhibition activity against HIV-1 PR and three mutants (G48V, V82F, V82A)were done in 96 well microtiter plate and were assayed. Wells that show...


Chembiochem 4: 1246-8 (2003)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 protease


(Human immunodeficiency virus)
BDBM84460
PNG
(HIV-1 PR Inhibitor, compound 6)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)n1cc(COC(=O)N[C@@H]2[C@H](O)Cc3ccccc23)nn1
Show InChI InChI=1S/C34H41N5O7S/c1-23(2)19-38(47(43,44)28-15-13-27(45-3)14-16-28)21-32(41)30(17-24-9-5-4-6-10-24)39-20-26(36-37-39)22-46-34(42)35-33-29-12-8-7-11-25(29)18-31(33)40/h4-16,20,23,30-33,40-41H,17-19,21-22H2,1-3H3,(H,35,42)/t30-,31+,32+,33-/m0/s1
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10n/a 19n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
The inhibition activity against HIV-1 PR and three mutants (G48V, V82F, V82A)were done in 96 well microtiter plate and were assayed. Wells that show...


Chembiochem 4: 1246-8 (2003)

More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM84461
PNG
(HIV-1 PR Inhibitor, compound 8)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)n1cc(CNC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)nn1
Show InChI InChI=1S/C37H48N6O7S/c1-26(2)23-42(51(47,48)32-18-16-31(49-6)17-19-32)25-34(44)33(20-27-10-8-7-9-11-27)43-24-30(40-41-43)22-38-35(45)29-14-12-28(13-15-29)21-39-36(46)50-37(3,4)5/h7-19,24,26,33-34,44H,20-23,25H2,1-6H3,(H,38,45)(H,39,46)/t33-,34+/m0/s1
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13n/a 24n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
The inhibition activity against HIV-1 PR and three mutants (G48V, V82F, V82A)were done in 96 well microtiter plate and were assayed. Wells that show...


Chembiochem 4: 1246-8 (2003)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 protease


(Human immunodeficiency virus)
BDBM84460
PNG
(HIV-1 PR Inhibitor, compound 6)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)n1cc(COC(=O)N[C@@H]2[C@H](O)Cc3ccccc23)nn1
Show InChI InChI=1S/C34H41N5O7S/c1-23(2)19-38(47(43,44)28-15-13-27(45-3)14-16-28)21-32(41)30(17-24-9-5-4-6-10-24)39-20-26(36-37-39)22-46-34(42)35-33-29-12-8-7-11-25(29)18-31(33)40/h4-16,20,23,30-33,40-41H,17-19,21-22H2,1-3H3,(H,35,42)/t30-,31+,32+,33-/m0/s1
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22n/a 39n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
The inhibition activity against HIV-1 PR and three mutants (G48V, V82F, V82A)were done in 96 well microtiter plate and were assayed. Wells that show...


Chembiochem 4: 1246-8 (2003)

More data for this
Ligand-Target Pair
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