Found 20 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Envelope glycoprotein gp160
(Human immunodeficiency virus 1) | BDBM50509130
(CHEMBL4468452)Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(N)=O |r| Show InChI InChI=1S/C109H186N34O37/c1-17-52(9)84(127-59(16)144)106(179)138-67(30-38-80(151)152)94(167)126-58(15)91(164)141-73(47-51(7)8)105(178)143-85(53(10)18-2)107(180)137-61(24-21-43-120-108(116)117)92(165)124-54(11)87(160)122-56(13)89(162)128-63(26-34-75(111)145)97(170)134-69(32-40-82(155)156)101(174)132-64(27-35-76(112)146)98(171)131-65(28-36-77(113)147)99(172)135-68(31-39-81(153)154)100(173)129-60(23-19-20-42-110)96(169)142-74(48-78(114)148)104(177)136-66(29-37-79(149)150)93(166)125-55(12)88(161)123-57(14)90(163)140-72(46-50(5)6)103(176)130-62(25-22-44-121-109(118)119)95(168)133-70(33-41-83(157)158)102(175)139-71(86(115)159)45-49(3)4/h49-58,60-74,84-85H,17-48,110H2,1-16H3,(H2,111,145)(H2,112,146)(H2,113,147)(H2,114,148)(H2,115,159)(H,122,160)(H,123,161)(H,124,165)(H,125,166)(H,126,167)(H,127,144)(H,128,162)(H,129,173)(H,130,176)(H,131,171)(H,132,174)(H,133,168)(H,134,170)(H,135,172)(H,136,177)(H,137,180)(H,138,179)(H,139,175)(H,140,163)(H,141,164)(H,142,169)(H,143,178)(H,149,150)(H,151,152)(H,153,154)(H,155,156)(H,157,158)(H4,116,117,120)(H4,118,119,121)/t52-,53-,54-,55-,56-,57-,58-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,84-,85-/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 127 | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells aft... |
J Med Chem 62: 8773-8783 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00882
BindingDB Entry DOI: 10.7270/Q2MW2MGN |
More data for this
Ligand-Target Pair | |
Envelope glycoprotein gp160
(Human immunodeficiency virus 1) | BDBM50509124
(CHEMBL4474461)Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NC1CCSCc2cccc(CSCCC(NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(N)=O)c2 |r| Show InChI InChI=1S/C119H196N34O37S2/c1-15-60(9)94(135-65(14)154)116(189)147-78(34-42-93(167)168)109(182)144-77(33-41-92(165)166)111(184)151-83(52-59(7)8)115(188)153-95(61(10)16-2)117(190)148-79-43-48-191-55-66-22-19-23-67(53-66)56-192-49-44-80(146-105(178)71(27-35-85(121)155)136-98(171)63(12)132-97(170)62(11)133-101(79)174)112(185)141-73(29-37-87(123)157)107(180)140-72(28-36-86(122)156)106(179)138-69(25-20-46-130-118(126)127)102(175)137-68(24-17-18-45-120)104(177)152-84(54-88(124)158)114(187)145-75(31-39-90(161)162)108(181)142-74(30-38-89(159)160)100(173)134-64(13)99(172)150-82(51-58(5)6)113(186)139-70(26-21-47-131-119(128)129)103(176)143-76(32-40-91(163)164)110(183)149-81(96(125)169)50-57(3)4/h19,22-23,53,57-64,68-84,94-95H,15-18,20-21,24-52,54-56,120H2,1-14H3,(H2,121,155)(H2,122,156)(H2,123,157)(H2,124,158)(H2,125,169)(H,132,170)(H,133,174)(H,134,173)(H,135,154)(H,136,171)(H,137,175)(H,138,179)(H,139,186)(H,140,180)(H,141,185)(H,142,181)(H,143,176)(H,144,182)(H,145,187)(H,146,178)(H,147,189)(H,148,190)(H,149,183)(H,150,172)(H,151,184)(H,152,177)(H,153,188)(H,159,160)(H,161,162)(H,163,164)(H,165,166)(H,167,168)(H4,126,127,130)(H4,128,129,131)/t60-,61-,62-,63-,64-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79?,80?,81-,82-,83-,84-,94-,95-/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 7.20 | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells aft... |
J Med Chem 62: 8773-8783 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00882
BindingDB Entry DOI: 10.7270/Q2MW2MGN |
More data for this
Ligand-Target Pair | |
Envelope glycoprotein gp160
(Human immunodeficiency virus 1) | BDBM50509123
(CHEMBL4551966)Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NC1CCSCc2cccc(CSCCC(NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(N)=O)c2 |r| Show InChI InChI=1S/C117H194N34O35S2/c1-16-59(9)92(134-65(15)152)114(185)145-75(32-39-89(159)160)100(171)133-64(14)98(169)149-82(51-58(7)8)113(184)151-93(60(10)17-2)115(186)146-78-42-47-187-54-66-23-20-24-67(52-66)55-188-48-43-79(144-105(176)71(28-35-84(119)153)135-96(167)62(12)130-95(166)61(11)131-101(78)172)110(181)140-73(30-37-86(121)155)107(178)139-72(29-36-85(120)154)106(177)137-69(26-21-45-128-116(124)125)102(173)136-68(25-18-19-44-118)104(175)150-83(53-87(122)156)112(183)143-76(33-40-90(161)162)108(179)141-74(31-38-88(157)158)99(170)132-63(13)97(168)148-81(50-57(5)6)111(182)138-70(27-22-46-129-117(126)127)103(174)142-77(34-41-91(163)164)109(180)147-80(94(123)165)49-56(3)4/h20,23-24,52,56-64,68-83,92-93H,16-19,21-22,25-51,53-55,118H2,1-15H3,(H2,119,153)(H2,120,154)(H2,121,155)(H2,122,156)(H2,123,165)(H,130,166)(H,131,172)(H,132,170)(H,133,171)(H,134,152)(H,135,167)(H,136,173)(H,137,177)(H,138,182)(H,139,178)(H,140,181)(H,141,179)(H,142,174)(H,143,183)(H,144,176)(H,145,185)(H,146,186)(H,147,180)(H,148,168)(H,149,169)(H,150,175)(H,151,184)(H,157,158)(H,159,160)(H,161,162)(H,163,164)(H4,124,125,128)(H4,126,127,129)/t59-,60-,61-,62-,63-,64-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78?,79?,80-,81-,82-,83-,92-,93-/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 22 | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells aft... |
J Med Chem 62: 8773-8783 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00882
BindingDB Entry DOI: 10.7270/Q2MW2MGN |
More data for this
Ligand-Target Pair | |
Envelope glycoprotein gp160
(Human immunodeficiency virus 1) | BDBM50509124
(CHEMBL4474461)Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NC1CCSCc2cccc(CSCCC(NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(N)=O)c2 |r| Show InChI InChI=1S/C119H196N34O37S2/c1-15-60(9)94(135-65(14)154)116(189)147-78(34-42-93(167)168)109(182)144-77(33-41-92(165)166)111(184)151-83(52-59(7)8)115(188)153-95(61(10)16-2)117(190)148-79-43-48-191-55-66-22-19-23-67(53-66)56-192-49-44-80(146-105(178)71(27-35-85(121)155)136-98(171)63(12)132-97(170)62(11)133-101(79)174)112(185)141-73(29-37-87(123)157)107(180)140-72(28-36-86(122)156)106(179)138-69(25-20-46-130-118(126)127)102(175)137-68(24-17-18-45-120)104(177)152-84(54-88(124)158)114(187)145-75(31-39-90(161)162)108(181)142-74(30-38-89(159)160)100(173)134-64(13)99(172)150-82(51-58(5)6)113(186)139-70(26-21-47-131-119(128)129)103(176)143-76(32-40-91(163)164)110(183)149-81(96(125)169)50-57(3)4/h19,22-23,53,57-64,68-84,94-95H,15-18,20-21,24-52,54-56,120H2,1-14H3,(H2,121,155)(H2,122,156)(H2,123,157)(H2,124,158)(H2,125,169)(H,132,170)(H,133,174)(H,134,173)(H,135,154)(H,136,171)(H,137,175)(H,138,179)(H,139,186)(H,140,180)(H,141,185)(H,142,181)(H,143,176)(H,144,182)(H,145,187)(H,146,178)(H,147,189)(H,148,190)(H,149,183)(H,150,172)(H,151,184)(H,152,177)(H,153,188)(H,159,160)(H,161,162)(H,163,164)(H,165,166)(H,167,168)(H4,126,127,130)(H4,128,129,131)/t60-,61-,62-,63-,64-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79?,80?,81-,82-,83-,84-,94-,95-/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells at ... |
J Med Chem 62: 8773-8783 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00882
BindingDB Entry DOI: 10.7270/Q2MW2MGN |
More data for this
Ligand-Target Pair | |
Envelope glycoprotein gp160
(Human immunodeficiency virus 1) | BDBM50509126
(CHEMBL4588738)Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CSCc2cccc(CSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(N)=O)c2 |r| Show InChI InChI=1S/C115H190N34O35S2/c1-16-57(9)90(132-63(15)150)112(183)142-72(31-38-86(155)156)98(169)130-61(13)95(166)145-78(47-56(7)8)109(180)149-91(58(10)17-2)113(184)141-67(26-21-43-126-114(122)123)97(168)129-59(11)93(164)128-60(12)94(165)133-69(28-35-82(117)151)101(172)139-73(32-39-87(157)158)103(174)136-70(29-36-83(118)152)102(173)137-71(30-37-84(119)153)105(176)148-81-53-186-51-65-24-20-23-64(48-65)50-185-52-80(147-106(177)75(34-41-89(161)162)140-108(179)79(49-85(120)154)146-100(171)66(135-111(81)182)25-18-19-42-116)110(181)131-62(14)96(167)144-77(46-55(5)6)107(178)134-68(27-22-44-127-115(124)125)99(170)138-74(33-40-88(159)160)104(175)143-76(92(121)163)45-54(3)4/h20,23-24,48,54-62,66-81,90-91H,16-19,21-22,25-47,49-53,116H2,1-15H3,(H2,117,151)(H2,118,152)(H2,119,153)(H2,120,154)(H2,121,163)(H,128,164)(H,129,168)(H,130,169)(H,131,181)(H,132,150)(H,133,165)(H,134,178)(H,135,182)(H,136,174)(H,137,173)(H,138,170)(H,139,172)(H,140,179)(H,141,184)(H,142,183)(H,143,175)(H,144,167)(H,145,166)(H,146,171)(H,147,177)(H,148,176)(H,149,180)(H,155,156)(H,157,158)(H,159,160)(H,161,162)(H4,122,123,126)(H4,124,125,127)/t57-,58-,59-,60-,61-,62-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,90-,91-/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 132 | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells aft... |
J Med Chem 62: 8773-8783 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00882
BindingDB Entry DOI: 10.7270/Q2MW2MGN |
More data for this
Ligand-Target Pair | |
Envelope glycoprotein gp160
(Human immunodeficiency virus 1) | BDBM50509125
(CHEMBL4451659)Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CSCc2cccc(CSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(N)=O)c2 |r| Show InChI InChI=1S/C112H183N31O35S2/c1-17-55(9)88(127-62(16)144)110(177)136-70(30-37-84(149)150)97(164)125-61(15)95(162)139-76(45-54(7)8)107(174)143-89(56(10)18-2)111(178)135-66(26-22-42-121-112(119)120)96(163)124-57(11)91(158)122-59(13)93(160)128-67(27-34-80(114)145)99(166)132-72(32-39-86(153)154)103(170)131-68(28-35-81(115)146)100(167)130-69(29-36-82(116)147)101(168)133-71(31-38-85(151)152)102(169)129-65(25-19-20-41-113)98(165)140-77(47-83(117)148)106(173)141-78-50-179-48-63-23-21-24-64(46-63)49-180-51-79(109(176)134-73(33-40-87(155)156)104(171)137-74(90(118)157)43-52(3)4)142-105(172)75(44-53(5)6)138-94(161)60(14)123-92(159)58(12)126-108(78)175/h21,23-24,46,52-61,65-79,88-89H,17-20,22,25-45,47-51,113H2,1-16H3,(H2,114,145)(H2,115,146)(H2,116,147)(H2,117,148)(H2,118,157)(H,122,158)(H,123,159)(H,124,163)(H,125,164)(H,126,175)(H,127,144)(H,128,160)(H,129,169)(H,130,167)(H,131,170)(H,132,166)(H,133,168)(H,134,176)(H,135,178)(H,136,177)(H,137,171)(H,138,161)(H,139,162)(H,140,165)(H,141,173)(H,142,172)(H,143,174)(H,149,150)(H,151,152)(H,153,154)(H,155,156)(H4,119,120,121)/t55-,56-,57-,58-,59-,60-,61-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,88-,89-/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 166 | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells aft... |
J Med Chem 62: 8773-8783 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00882
BindingDB Entry DOI: 10.7270/Q2MW2MGN |
More data for this
Ligand-Target Pair | |
Envelope glycoprotein gp160
(Human immunodeficiency virus 1) | BDBM50509127
(CHEMBL4455835)Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H]1CSCc2cccc(CSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(N)=O)c2 |r| Show InChI InChI=1S/C113H187N33O34S2/c1-17-56(9)88(130-63(16)147)110(179)139-72(32-38-85(153)154)98(167)129-62(15)94(163)142-77(46-55(7)8)107(176)146-89(57(10)18-2)111(180)138-67(27-22-42-123-112(119)120)96(165)127-58(11)91(160)126-61(14)95(164)144-79-51-181-49-64-24-21-25-65(47-64)50-182-52-80(145-104(173)70(30-36-82(116)149)134-101(170)69(29-35-81(115)148)133-102(171)73(137-108(79)177)33-39-86(155)156)109(178)132-66(26-19-20-41-114)100(169)143-78(48-83(117)150)106(175)136-71(31-37-84(151)152)97(166)128-59(12)92(161)125-60(13)93(162)141-76(45-54(5)6)105(174)131-68(28-23-43-124-113(121)122)99(168)135-74(34-40-87(157)158)103(172)140-75(90(118)159)44-53(3)4/h21,24-25,47,53-62,66-80,88-89H,17-20,22-23,26-46,48-52,114H2,1-16H3,(H2,115,148)(H2,116,149)(H2,117,150)(H2,118,159)(H,125,161)(H,126,160)(H,127,165)(H,128,166)(H,129,167)(H,130,147)(H,131,174)(H,132,178)(H,133,171)(H,134,170)(H,135,168)(H,136,175)(H,137,177)(H,138,180)(H,139,179)(H,140,172)(H,141,162)(H,142,163)(H,143,169)(H,144,164)(H,145,173)(H,146,176)(H,151,152)(H,153,154)(H,155,156)(H,157,158)(H4,119,120,123)(H4,121,122,124)/t56-,57-,58-,59-,60-,61-,62-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,88-,89-/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 214 | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells aft... |
J Med Chem 62: 8773-8783 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00882
BindingDB Entry DOI: 10.7270/Q2MW2MGN |
More data for this
Ligand-Target Pair | |
Envelope glycoprotein gp160
(Human immunodeficiency virus 1) | BDBM50509128
(CHEMBL4439355)Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@H]1CSCc2cccc(CSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC1=O)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(N)=O)c2 |r| Show InChI InChI=1S/C117H192N34O37S2/c1-15-58(9)92(133-63(14)152)114(187)144-76(34-42-91(165)166)108(181)150-82-54-190-52-65-23-19-22-64(49-65)51-189-53-81(149-101(174)68(26-21-45-129-117(126)127)143-115(188)93(59(10)16-2)151-111(184)79(48-57(7)8)147-113(82)186)112(185)132-62(13)96(169)134-69(27-35-83(119)153)102(175)140-74(32-40-89(161)162)106(179)138-70(28-36-84(120)154)103(176)137-71(29-37-85(121)155)104(177)141-73(31-39-88(159)160)105(178)135-66(24-17-18-43-118)100(173)148-80(50-86(122)156)110(183)142-72(30-38-87(157)158)98(171)131-60(11)95(168)130-61(12)97(170)146-78(47-56(5)6)109(182)136-67(25-20-44-128-116(124)125)99(172)139-75(33-41-90(163)164)107(180)145-77(94(123)167)46-55(3)4/h19,22-23,49,55-62,66-82,92-93H,15-18,20-21,24-48,50-54,118H2,1-14H3,(H2,119,153)(H2,120,154)(H2,121,155)(H2,122,156)(H2,123,167)(H,130,168)(H,131,171)(H,132,185)(H,133,152)(H,134,169)(H,135,178)(H,136,182)(H,137,176)(H,138,179)(H,139,172)(H,140,175)(H,141,177)(H,142,183)(H,143,188)(H,144,187)(H,145,180)(H,146,170)(H,147,186)(H,148,173)(H,149,174)(H,150,181)(H,151,184)(H,157,158)(H,159,160)(H,161,162)(H,163,164)(H,165,166)(H4,124,125,128)(H4,126,127,129)/t58-,59-,60-,61-,62-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,92-,93-/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 136 | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells aft... |
J Med Chem 62: 8773-8783 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00882
BindingDB Entry DOI: 10.7270/Q2MW2MGN |
More data for this
Ligand-Target Pair | |
Envelope glycoprotein gp160
(Human immunodeficiency virus 1) | BDBM50509129
(CHEMBL4578610)Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2cccc(CSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC1=O)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(N)=O)c2 |r| Show InChI InChI=1S/C112H183N31O35S2/c1-17-55(9)88(127-62(16)144)110(177)141-78-50-179-48-63-23-21-24-64(46-63)49-180-51-79(142-111(178)89(56(10)18-2)143-107(174)76(45-54(7)8)139-95(162)61(15)126-109(78)176)108(175)125-58(12)92(159)122-59(13)93(160)128-67(27-34-80(114)145)99(166)134-72(32-39-86(153)154)103(170)132-68(28-35-81(115)146)100(167)131-69(29-36-82(116)147)101(168)135-71(31-38-85(151)152)102(169)129-65(25-19-20-41-113)98(165)140-77(47-83(117)148)106(173)136-70(30-37-84(149)150)96(163)124-57(11)91(158)123-60(14)94(161)138-75(44-53(5)6)105(172)130-66(26-22-42-121-112(119)120)97(164)133-73(33-40-87(155)156)104(171)137-74(90(118)157)43-52(3)4/h21,23-24,46,52-61,65-79,88-89H,17-20,22,25-45,47-51,113H2,1-16H3,(H2,114,145)(H2,115,146)(H2,116,147)(H2,117,148)(H2,118,157)(H,122,159)(H,123,158)(H,124,163)(H,125,175)(H,126,176)(H,127,144)(H,128,160)(H,129,169)(H,130,172)(H,131,167)(H,132,170)(H,133,164)(H,134,166)(H,135,168)(H,136,173)(H,137,171)(H,138,161)(H,139,162)(H,140,165)(H,141,177)(H,142,178)(H,143,174)(H,149,150)(H,151,152)(H,153,154)(H,155,156)(H4,119,120,121)/t55-,56-,57-,58-,59-,60-,61-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,88-,89-/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 147 | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells aft... |
J Med Chem 62: 8773-8783 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00882
BindingDB Entry DOI: 10.7270/Q2MW2MGN |
More data for this
Ligand-Target Pair | |
Envelope glycoprotein gp160
(Human immunodeficiency virus 1) | BDBM50509132
(CHEMBL4575700)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C138H214N30O43S/c1-12-72(6)111(164-125(197)88(35-21-26-61-141)149-117(189)86(33-19-24-59-139)148-119(191)90(43-51-104(174)175)154-130(202)101(67-78-69-145-84-31-17-15-29-81(78)84)161-124(196)93(46-54-107(180)181)151-120(192)91(44-52-105(176)177)155-131(203)102(68-79-70-146-85-32-18-16-30-82(79)85)163-137(209)115(76(10)170)167-128(200)97(58-64-212-11)147-116(188)83(144)42-50-103(172)173)133(205)157-94(47-55-108(182)183)121(193)152-92(45-53-106(178)179)123(195)160-100(66-77-38-40-80(171)41-39-77)132(204)168-114(75(9)169)136(208)156-87(34-20-25-60-140)118(190)150-89(36-22-27-62-142)126(198)165-112(73(7)13-2)134(206)158-95(48-56-109(184)185)122(194)153-96(49-57-110(186)187)127(199)166-113(74(8)14-3)135(207)162-99(65-71(4)5)129(201)159-98(138(210)211)37-23-28-63-143/h15-18,29-32,38-41,69-76,83,86-102,111-115,145-146,169-171H,12-14,19-28,33-37,42-68,139-144H2,1-11H3,(H,147,188)(H,148,191)(H,149,189)(H,150,190)(H,151,192)(H,152,193)(H,153,194)(H,154,202)(H,155,203)(H,156,208)(H,157,205)(H,158,206)(H,159,201)(H,160,195)(H,161,196)(H,162,207)(H,163,209)(H,164,197)(H,165,198)(H,166,199)(H,167,200)(H,168,204)(H,172,173)(H,174,175)(H,176,177)(H,178,179)(H,180,181)(H,182,183)(H,184,185)(H,186,187)(H,210,211)/t72-,73-,74-,75+,76+,83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,111-,112-,113-,114-,115-/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells aft... |
J Med Chem 62: 8773-8783 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00882
BindingDB Entry DOI: 10.7270/Q2MW2MGN |
More data for this
Ligand-Target Pair | |
Envelope glycoprotein gp160
(Human immunodeficiency virus 1) | BDBM50509124
(CHEMBL4474461)Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NC1CCSCc2cccc(CSCCC(NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(N)=O)c2 |r| Show InChI InChI=1S/C119H196N34O37S2/c1-15-60(9)94(135-65(14)154)116(189)147-78(34-42-93(167)168)109(182)144-77(33-41-92(165)166)111(184)151-83(52-59(7)8)115(188)153-95(61(10)16-2)117(190)148-79-43-48-191-55-66-22-19-23-67(53-66)56-192-49-44-80(146-105(178)71(27-35-85(121)155)136-98(171)63(12)132-97(170)62(11)133-101(79)174)112(185)141-73(29-37-87(123)157)107(180)140-72(28-36-86(122)156)106(179)138-69(25-20-46-130-118(126)127)102(175)137-68(24-17-18-45-120)104(177)152-84(54-88(124)158)114(187)145-75(31-39-90(161)162)108(181)142-74(30-38-89(159)160)100(173)134-64(13)99(172)150-82(51-58(5)6)113(186)139-70(26-21-47-131-119(128)129)103(176)143-76(32-40-91(163)164)110(183)149-81(96(125)169)50-57(3)4/h19,22-23,53,57-64,68-84,94-95H,15-18,20-21,24-52,54-56,120H2,1-14H3,(H2,121,155)(H2,122,156)(H2,123,157)(H2,124,158)(H2,125,169)(H,132,170)(H,133,174)(H,134,173)(H,135,154)(H,136,171)(H,137,175)(H,138,179)(H,139,186)(H,140,180)(H,141,185)(H,142,181)(H,143,176)(H,144,182)(H,145,187)(H,146,178)(H,147,189)(H,148,190)(H,149,183)(H,150,172)(H,151,184)(H,152,177)(H,153,188)(H,159,160)(H,161,162)(H,163,164)(H,165,166)(H,167,168)(H4,126,127,130)(H4,128,129,131)/t60-,61-,62-,63-,64-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79?,80?,81-,82-,83-,84-,94-,95-/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells at ... |
J Med Chem 62: 8773-8783 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00882
BindingDB Entry DOI: 10.7270/Q2MW2MGN |
More data for this
Ligand-Target Pair | |
Envelope glycoprotein gp160
(Human immunodeficiency virus 1) | BDBM50509134
(CHEMBL4552479)Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@H]1CSCc2cccc(CSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(C)C)C(N)=O)c2 |r| Show InChI InChI=1S/C115H190N34O35S2/c1-16-57(9)90(132-63(15)150)112(183)142-72(31-38-86(155)156)98(169)130-61(13)95(166)145-78(47-56(7)8)109(180)149-91(58(10)17-2)113(184)141-67(26-21-43-126-114(122)123)97(168)129-59(11)93(164)128-60(12)94(165)133-69(28-35-82(117)151)101(172)138-74(33-40-88(159)160)105(176)137-70(29-36-83(118)152)102(173)136-71(30-37-84(119)153)103(174)139-73(32-39-87(157)158)104(175)134-66(25-18-19-42-116)99(170)146-79(49-85(120)154)108(179)140-75(34-41-89(161)162)106(177)147-80-52-185-50-64-23-20-24-65(48-64)51-186-53-81(111(182)143-76(92(121)163)45-54(3)4)148-100(171)68(27-22-44-127-115(124)125)135-107(178)77(46-55(5)6)144-96(167)62(14)131-110(80)181/h20,23-24,48,54-62,66-81,90-91H,16-19,21-22,25-47,49-53,116H2,1-15H3,(H2,117,151)(H2,118,152)(H2,119,153)(H2,120,154)(H2,121,163)(H,128,164)(H,129,168)(H,130,169)(H,131,181)(H,132,150)(H,133,165)(H,134,175)(H,135,178)(H,136,173)(H,137,176)(H,138,172)(H,139,174)(H,140,179)(H,141,184)(H,142,183)(H,143,182)(H,144,167)(H,145,166)(H,146,170)(H,147,177)(H,148,171)(H,149,180)(H,155,156)(H,157,158)(H,159,160)(H,161,162)(H4,122,123,126)(H4,124,125,127)/t57-,58-,59-,60-,61-,62-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,90-,91-/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 123 | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells aft... |
J Med Chem 62: 8773-8783 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00882
BindingDB Entry DOI: 10.7270/Q2MW2MGN |
More data for this
Ligand-Target Pair | |
Envelope glycoprotein gp160
(Human immunodeficiency virus 1) | BDBM50509135
(CHEMBL4474236)Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]1CSCc2cccc(CSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(N)=O)c2 |r| Show InChI InChI=1S/C112H183N31O35S2/c1-17-55(9)88(127-62(16)144)110(177)136-71(31-38-85(151)152)97(164)125-61(15)95(162)139-76(45-54(7)8)107(174)143-89(56(10)18-2)111(178)142-78-50-179-48-63-23-21-24-64(46-63)49-180-51-79(141-104(171)67(27-34-80(114)145)128-93(160)59(13)122-92(159)58(12)126-108(78)175)109(176)135-69(29-36-82(116)147)101(168)131-68(28-35-81(115)146)100(167)133-72(32-39-86(153)154)102(169)129-65(25-19-20-41-113)99(166)140-77(47-83(117)148)106(173)134-70(30-37-84(149)150)96(163)124-57(11)91(158)123-60(14)94(161)138-75(44-53(5)6)105(172)130-66(26-22-42-121-112(119)120)98(165)132-73(33-40-87(155)156)103(170)137-74(90(118)157)43-52(3)4/h21,23-24,46,52-61,65-79,88-89H,17-20,22,25-45,47-51,113H2,1-16H3,(H2,114,145)(H2,115,146)(H2,116,147)(H2,117,148)(H2,118,157)(H,122,159)(H,123,158)(H,124,163)(H,125,164)(H,126,175)(H,127,144)(H,128,160)(H,129,169)(H,130,172)(H,131,168)(H,132,165)(H,133,167)(H,134,173)(H,135,176)(H,136,177)(H,137,170)(H,138,161)(H,139,162)(H,140,166)(H,141,171)(H,142,178)(H,143,174)(H,149,150)(H,151,152)(H,153,154)(H,155,156)(H4,119,120,121)/t55-,56-,57-,58-,59-,60-,61-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,88-,89-/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 96 | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells aft... |
J Med Chem 62: 8773-8783 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00882
BindingDB Entry DOI: 10.7270/Q2MW2MGN |
More data for this
Ligand-Target Pair | |
Envelope glycoprotein gp160
(Human immunodeficiency virus 1) | BDBM50509136
(CHEMBL4476199)Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NC1CCSCc2cccc(CSCCC(NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(N)=O)c2 |r| Show InChI InChI=1S/C114H187N31O35S2/c1-17-57(9)90(129-64(16)146)112(179)139-73(31-38-87(153)154)99(166)128-63(15)97(164)143-80(49-56(7)8)111(178)145-91(58(10)18-2)113(180)140-76-41-45-181-52-65-23-21-24-66(50-65)53-182-46-42-77(138-103(170)69(27-34-82(116)147)130-95(162)61(13)124-94(161)60(12)127-100(76)167)108(175)134-71(29-36-84(118)149)104(171)133-70(28-35-83(117)148)105(172)136-74(32-39-88(155)156)106(173)131-67(25-19-20-43-115)102(169)144-81(51-85(119)150)110(177)137-72(30-37-86(151)152)98(165)126-59(11)93(160)125-62(14)96(163)142-79(48-55(5)6)109(176)132-68(26-22-44-123-114(121)122)101(168)135-75(33-40-89(157)158)107(174)141-78(92(120)159)47-54(3)4/h21,23-24,50,54-63,67-81,90-91H,17-20,22,25-49,51-53,115H2,1-16H3,(H2,116,147)(H2,117,148)(H2,118,149)(H2,119,150)(H2,120,159)(H,124,161)(H,125,160)(H,126,165)(H,127,167)(H,128,166)(H,129,146)(H,130,162)(H,131,173)(H,132,176)(H,133,171)(H,134,175)(H,135,168)(H,136,172)(H,137,177)(H,138,170)(H,139,179)(H,140,180)(H,141,174)(H,142,163)(H,143,164)(H,144,169)(H,145,178)(H,151,152)(H,153,154)(H,155,156)(H,157,158)(H4,121,122,123)/t57-,58-,59-,60-,61-,62-,63-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76?,77?,78-,79-,80-,81-,90-,91-/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 34 | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells aft... |
J Med Chem 62: 8773-8783 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00882
BindingDB Entry DOI: 10.7270/Q2MW2MGN |
More data for this
Ligand-Target Pair | |
Envelope glycoprotein gp160
(Human immunodeficiency virus 1) | BDBM50509132
(CHEMBL4575700)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C138H214N30O43S/c1-12-72(6)111(164-125(197)88(35-21-26-61-141)149-117(189)86(33-19-24-59-139)148-119(191)90(43-51-104(174)175)154-130(202)101(67-78-69-145-84-31-17-15-29-81(78)84)161-124(196)93(46-54-107(180)181)151-120(192)91(44-52-105(176)177)155-131(203)102(68-79-70-146-85-32-18-16-30-82(79)85)163-137(209)115(76(10)170)167-128(200)97(58-64-212-11)147-116(188)83(144)42-50-103(172)173)133(205)157-94(47-55-108(182)183)121(193)152-92(45-53-106(178)179)123(195)160-100(66-77-38-40-80(171)41-39-77)132(204)168-114(75(9)169)136(208)156-87(34-20-25-60-140)118(190)150-89(36-22-27-62-142)126(198)165-112(73(7)13-2)134(206)158-95(48-56-109(184)185)122(194)153-96(49-57-110(186)187)127(199)166-113(74(8)14-3)135(207)162-99(65-71(4)5)129(201)159-98(138(210)211)37-23-28-63-143/h15-18,29-32,38-41,69-76,83,86-102,111-115,145-146,169-171H,12-14,19-28,33-37,42-68,139-144H2,1-11H3,(H,147,188)(H,148,191)(H,149,189)(H,150,190)(H,151,192)(H,152,193)(H,153,194)(H,154,202)(H,155,203)(H,156,208)(H,157,205)(H,158,206)(H,159,201)(H,160,195)(H,161,196)(H,162,207)(H,163,209)(H,164,197)(H,165,198)(H,166,199)(H,167,200)(H,168,204)(H,172,173)(H,174,175)(H,176,177)(H,178,179)(H,180,181)(H,182,183)(H,184,185)(H,186,187)(H,210,211)/t72-,73-,74-,75+,76+,83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,111-,112-,113-,114-,115-/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells at ... |
J Med Chem 62: 8773-8783 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00882
BindingDB Entry DOI: 10.7270/Q2MW2MGN |
More data for this
Ligand-Target Pair | |
Envelope glycoprotein gp160
(Human immunodeficiency virus 1) | BDBM50509131
(CHEMBL4579547)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)C(CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C204H301N51O64/c1-20-102(15)166(253-195(310)137(75-100(11)12)239-200(315)150(93-258)251-190(305)143(82-112-90-215-95-219-112)248-203(318)167(103(16)21-2)254-196(311)138(76-101(13)14)240-201(316)151(94-259)252-204(319)168(105(18)260)255-197(312)139(221-106(19)261)78-108-45-47-113(262)48-46-108)202(317)233-131(58-68-164(280)281)178(293)228-130(57-67-163(278)279)182(297)250-149(92-257)198(313)232-125(52-62-155(210)266)179(294)245-145(84-157(212)268)191(306)229-124(51-61-154(209)265)175(290)224-122(49-59-152(207)263)173(288)226-126(53-63-159(270)271)176(291)222-120(43-31-33-69-205)172(287)244-144(83-156(211)267)192(307)231-127(54-64-160(272)273)177(292)225-123(50-60-153(208)264)174(289)227-128(55-65-161(274)275)180(295)235-134(72-97(5)6)185(300)237-133(71-96(3)4)184(299)230-129(56-66-162(276)277)181(296)236-135(73-98(7)8)187(302)247-147(86-165(282)283)194(309)223-121(44-32-34-70-206)171(286)241-140(79-109-87-216-117-40-28-25-37-114(109)117)183(298)220-104(17)170(285)249-148(91-256)199(314)238-136(74-99(9)10)186(301)242-142(81-111-89-218-119-42-30-27-39-116(111)119)189(304)246-146(85-158(213)269)193(308)243-141(80-110-88-217-118-41-29-26-38-115(110)118)188(303)234-132(169(214)284)77-107-35-23-22-24-36-107/h22-30,35-42,45-48,87-90,95-105,120-151,166-168,216-218,256-260,262H,20-21,31-34,43-44,49-86,91-94,205-206H2,1-19H3,(H2,207,263)(H2,208,264)(H2,209,265)(H2,210,266)(H2,211,267)(H2,212,268)(H2,213,269)(H2,214,284)(H,215,219)(H,220,298)(H,221,261)(H,222,291)(H,223,309)(H,224,290)(H,225,292)(H,226,288)(H,227,289)(H,228,293)(H,229,306)(H,230,299)(H,231,307)(H,232,313)(H,233,317)(H,234,303)(H,235,295)(H,236,296)(H,237,300)(H,238,314)(H,239,315)(H,240,316)(H,241,286)(H,242,301)(H,243,308)(H,244,287)(H,245,294)(H,246,304)(H,247,302)(H,248,318)(H,249,285)(H,250,297)(H,251,305)(H,252,319)(H,253,310)(H,254,311)(H,255,312)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,282,283)/t102-,103-,104-,105+,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151?,166-,167-,168-/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells aft... |
J Med Chem 62: 8773-8783 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00882
BindingDB Entry DOI: 10.7270/Q2MW2MGN |
More data for this
Ligand-Target Pair | |
Envelope glycoprotein gp160
(Human immunodeficiency virus 1) | BDBM50509124
(CHEMBL4474461)Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NC1CCSCc2cccc(CSCCC(NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(N)=O)c2 |r| Show InChI InChI=1S/C119H196N34O37S2/c1-15-60(9)94(135-65(14)154)116(189)147-78(34-42-93(167)168)109(182)144-77(33-41-92(165)166)111(184)151-83(52-59(7)8)115(188)153-95(61(10)16-2)117(190)148-79-43-48-191-55-66-22-19-23-67(53-66)56-192-49-44-80(146-105(178)71(27-35-85(121)155)136-98(171)63(12)132-97(170)62(11)133-101(79)174)112(185)141-73(29-37-87(123)157)107(180)140-72(28-36-86(122)156)106(179)138-69(25-20-46-130-118(126)127)102(175)137-68(24-17-18-45-120)104(177)152-84(54-88(124)158)114(187)145-75(31-39-90(161)162)108(181)142-74(30-38-89(159)160)100(173)134-64(13)99(172)150-82(51-58(5)6)113(186)139-70(26-21-47-131-119(128)129)103(176)143-76(32-40-91(163)164)110(183)149-81(96(125)169)50-57(3)4/h19,22-23,53,57-64,68-84,94-95H,15-18,20-21,24-52,54-56,120H2,1-14H3,(H2,121,155)(H2,122,156)(H2,123,157)(H2,124,158)(H2,125,169)(H,132,170)(H,133,174)(H,134,173)(H,135,154)(H,136,171)(H,137,175)(H,138,179)(H,139,186)(H,140,180)(H,141,185)(H,142,181)(H,143,176)(H,144,182)(H,145,187)(H,146,178)(H,147,189)(H,148,190)(H,149,183)(H,150,172)(H,151,184)(H,152,177)(H,153,188)(H,159,160)(H,161,162)(H,163,164)(H,165,166)(H,167,168)(H4,126,127,130)(H4,128,129,131)/t60-,61-,62-,63-,64-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79?,80?,81-,82-,83-,84-,94-,95-/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 7.10 | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells at ... |
J Med Chem 62: 8773-8783 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00882
BindingDB Entry DOI: 10.7270/Q2MW2MGN |
More data for this
Ligand-Target Pair | |
Envelope glycoprotein gp160
(Human immunodeficiency virus 1) | BDBM50509132
(CHEMBL4575700)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C138H214N30O43S/c1-12-72(6)111(164-125(197)88(35-21-26-61-141)149-117(189)86(33-19-24-59-139)148-119(191)90(43-51-104(174)175)154-130(202)101(67-78-69-145-84-31-17-15-29-81(78)84)161-124(196)93(46-54-107(180)181)151-120(192)91(44-52-105(176)177)155-131(203)102(68-79-70-146-85-32-18-16-30-82(79)85)163-137(209)115(76(10)170)167-128(200)97(58-64-212-11)147-116(188)83(144)42-50-103(172)173)133(205)157-94(47-55-108(182)183)121(193)152-92(45-53-106(178)179)123(195)160-100(66-77-38-40-80(171)41-39-77)132(204)168-114(75(9)169)136(208)156-87(34-20-25-60-140)118(190)150-89(36-22-27-62-142)126(198)165-112(73(7)13-2)134(206)158-95(48-56-109(184)185)122(194)153-96(49-57-110(186)187)127(199)166-113(74(8)14-3)135(207)162-99(65-71(4)5)129(201)159-98(138(210)211)37-23-28-63-143/h15-18,29-32,38-41,69-76,83,86-102,111-115,145-146,169-171H,12-14,19-28,33-37,42-68,139-144H2,1-11H3,(H,147,188)(H,148,191)(H,149,189)(H,150,190)(H,151,192)(H,152,193)(H,153,194)(H,154,202)(H,155,203)(H,156,208)(H,157,205)(H,158,206)(H,159,201)(H,160,195)(H,161,196)(H,162,207)(H,163,209)(H,164,197)(H,165,198)(H,166,199)(H,167,200)(H,168,204)(H,172,173)(H,174,175)(H,176,177)(H,178,179)(H,180,181)(H,182,183)(H,184,185)(H,186,187)(H,210,211)/t72-,73-,74-,75+,76+,83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,111-,112-,113-,114-,115-/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.30 | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells at ... |
J Med Chem 62: 8773-8783 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00882
BindingDB Entry DOI: 10.7270/Q2MW2MGN |
More data for this
Ligand-Target Pair | |
Envelope glycoprotein gp160
(Human immunodeficiency virus 1) | BDBM50509133
(CHEMBL4545032)Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CSCc2cccc(CSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(N)=O)c2 |r| Show InChI InChI=1S/C112H183N33O35S2/c1-17-54(9)87(129-61(16)146)109(179)138-70(30-37-84(153)154)97(167)128-60(15)94(164)141-75(44-53(7)8)106(176)145-88(55(10)18-2)110(180)137-64(24-20-40-122-111(118)119)95(165)126-56(11)90(160)124-58(13)92(162)130-66(26-33-79(113)147)102(172)143-77-49-181-47-62-22-19-23-63(45-62)48-182-50-78(144-103(173)72(32-39-86(157)158)134-99(169)67(27-34-80(114)148)132-100(170)68(136-107(77)177)28-35-81(115)149)108(178)142-76(46-82(116)150)105(175)135-69(29-36-83(151)152)96(166)127-57(12)91(161)125-59(14)93(163)140-74(43-52(5)6)104(174)131-65(25-21-41-123-112(120)121)98(168)133-71(31-38-85(155)156)101(171)139-73(89(117)159)42-51(3)4/h19,22-23,45,51-60,64-78,87-88H,17-18,20-21,24-44,46-50H2,1-16H3,(H2,113,147)(H2,114,148)(H2,115,149)(H2,116,150)(H2,117,159)(H,124,160)(H,125,161)(H,126,165)(H,127,166)(H,128,167)(H,129,146)(H,130,162)(H,131,174)(H,132,170)(H,133,168)(H,134,169)(H,135,175)(H,136,177)(H,137,180)(H,138,179)(H,139,171)(H,140,163)(H,141,164)(H,142,178)(H,143,172)(H,144,173)(H,145,176)(H,151,152)(H,153,154)(H,155,156)(H,157,158)(H4,118,119,122)(H4,120,121,123)/t54-,55-,56-,57-,58-,59-,60-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,87-,88-/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 171 | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells aft... |
J Med Chem 62: 8773-8783 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00882
BindingDB Entry DOI: 10.7270/Q2MW2MGN |
More data for this
Ligand-Target Pair | |
Envelope glycoprotein gp160
(Human immunodeficiency virus 1) | BDBM50509132
(CHEMBL4575700)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C138H214N30O43S/c1-12-72(6)111(164-125(197)88(35-21-26-61-141)149-117(189)86(33-19-24-59-139)148-119(191)90(43-51-104(174)175)154-130(202)101(67-78-69-145-84-31-17-15-29-81(78)84)161-124(196)93(46-54-107(180)181)151-120(192)91(44-52-105(176)177)155-131(203)102(68-79-70-146-85-32-18-16-30-82(79)85)163-137(209)115(76(10)170)167-128(200)97(58-64-212-11)147-116(188)83(144)42-50-103(172)173)133(205)157-94(47-55-108(182)183)121(193)152-92(45-53-106(178)179)123(195)160-100(66-77-38-40-80(171)41-39-77)132(204)168-114(75(9)169)136(208)156-87(34-20-25-60-140)118(190)150-89(36-22-27-62-142)126(198)165-112(73(7)13-2)134(206)158-95(48-56-109(184)185)122(194)153-96(49-57-110(186)187)127(199)166-113(74(8)14-3)135(207)162-99(65-71(4)5)129(201)159-98(138(210)211)37-23-28-63-143/h15-18,29-32,38-41,69-76,83,86-102,111-115,145-146,169-171H,12-14,19-28,33-37,42-68,139-144H2,1-11H3,(H,147,188)(H,148,191)(H,149,189)(H,150,190)(H,151,192)(H,152,193)(H,153,194)(H,154,202)(H,155,203)(H,156,208)(H,157,205)(H,158,206)(H,159,201)(H,160,195)(H,161,196)(H,162,207)(H,163,209)(H,164,197)(H,165,198)(H,166,199)(H,167,200)(H,168,204)(H,172,173)(H,174,175)(H,176,177)(H,178,179)(H,180,181)(H,182,183)(H,184,185)(H,186,187)(H,210,211)/t72-,73-,74-,75+,76+,83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,111-,112-,113-,114-,115-/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells at ... |
J Med Chem 62: 8773-8783 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00882
BindingDB Entry DOI: 10.7270/Q2MW2MGN |
More data for this
Ligand-Target Pair | |
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