Found 29 hits of kd data for polymerid = 239,50006683,6926 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 |
|---|
Integrase
(Human immunodeficiency virus 1) | BDBM50021581
(CHEMBL414850 | L-870810)Show SMILES O\C(=N/Cc1ccc(F)cc1)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O Show InChI InChI=1S/C20H19FN4O4S/c21-14-7-5-13(6-8-14)12-23-20(27)17-18(26)16-15(4-3-9-22-16)19(24-17)25-10-1-2-11-30(25,28)29/h3-9,26H,1-2,10-12H2,(H,23,27) | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of 20 nM [3H]GSK304649 from Human immunodeficiency virus 1 integrase by scintillation proximity assay |
Antimicrob Agents Chemother 52: 901-8 (2008)
Article DOI: 10.1128/aac.01218-07
BindingDB Entry DOI: 10.7270/Q2JQ13VN |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein
(Human immunodeficiency virus type 1 group M subtyp...) | BDBM50450015
(Bms-955176 | GSK-3532795)Show SMILES [H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC=C(c4ccc(cc4)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)NCCN1CCS(=O)(=O)CC1)C(C)=C |r,t:21| Show InChI InChI=1S/C42H62N2O4S/c1-28(2)31-14-19-42(43-22-23-44-24-26-49(47,48)27-25-44)21-20-40(6)33(36(31)42)12-13-35-39(5)17-15-32(29-8-10-30(11-9-29)37(45)46)38(3,4)34(39)16-18-41(35,40)7/h8-11,15,31,33-36,43H,1,12-14,16-27H2,2-7H3,(H,45,46)/t31-,33+,34-,35+,36+,39-,40+,41+,42-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to HIV1 gag polyprotein V362I mutant containing viral like particle |
J Med Chem 61: 7289-7313 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00854
BindingDB Entry DOI: 10.7270/Q2377C8R |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein
(Human immunodeficiency virus type 1 group M subtyp...) | BDBM50450015
(Bms-955176 | GSK-3532795)Show SMILES [H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC=C(c4ccc(cc4)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)NCCN1CCS(=O)(=O)CC1)C(C)=C |r,t:21| Show InChI InChI=1S/C42H62N2O4S/c1-28(2)31-14-19-42(43-22-23-44-24-26-49(47,48)27-25-44)21-20-40(6)33(36(31)42)12-13-35-39(5)17-15-32(29-8-10-30(11-9-29)37(45)46)38(3,4)34(39)16-18-41(35,40)7/h8-11,15,31,33-36,43H,1,12-14,16-27H2,2-7H3,(H,45,46)/t31-,33+,34-,35+,36+,39-,40+,41+,42-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to HIV1 gag polyprotein V370A mutant containing viral like particle |
J Med Chem 61: 7289-7313 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00854
BindingDB Entry DOI: 10.7270/Q2377C8R |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein
(Human immunodeficiency virus type 1 group M subtyp...) | BDBM50450016
(CHEMBL4163247)Show SMILES [H][C@]12[C@@H](CCC1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CCC(OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O)C(C)=C |r| Show InChI InChI=1S/C36H56O6/c1-21(2)22-12-17-36(30(40)41)19-18-34(8)23(28(22)36)10-11-25-33(7)15-14-26(42-27(37)20-31(3,4)29(38)39)32(5,6)24(33)13-16-35(25,34)9/h22-26,28H,1,10-20H2,2-9H3,(H,38,39)(H,40,41)/t22-,23+,24-,25+,26?,28+,33-,34+,35+,36?/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to HIV1 gag polyprotein V362I mutant containing viral like particle |
J Med Chem 61: 7289-7313 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00854
BindingDB Entry DOI: 10.7270/Q2377C8R |
More data for this
Ligand-Target Pair | |
Integrase
(Human immunodeficiency virus 1) | BDBM50045107
(CHEMBL1256978 | GSK364735)Show SMILES Cn1c2cc(Cc3ccc(F)cc3)cnc2c(O)c(C(=O)NCCO)c1=O Show InChI InChI=1S/C19H18FN3O4/c1-23-14-9-12(8-11-2-4-13(20)5-3-11)10-22-16(14)17(25)15(19(23)27)18(26)21-6-7-24/h2-5,9-10,24-25H,6-8H2,1H3,(H,21,26) | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]GSK304649 from Human immunodeficiency virus 1 integrase by scintillation proximity assay |
Antimicrob Agents Chemother 52: 901-8 (2008)
Article DOI: 10.1128/aac.01218-07
BindingDB Entry DOI: 10.7270/Q2JQ13VN |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein
(Human immunodeficiency virus type 1 group M subtyp...) | BDBM50450015
(Bms-955176 | GSK-3532795)Show SMILES [H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC=C(c4ccc(cc4)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)NCCN1CCS(=O)(=O)CC1)C(C)=C |r,t:21| Show InChI InChI=1S/C42H62N2O4S/c1-28(2)31-14-19-42(43-22-23-44-24-26-49(47,48)27-25-44)21-20-40(6)33(36(31)42)12-13-35-39(5)17-15-32(29-8-10-30(11-9-29)37(45)46)38(3,4)34(39)16-18-41(35,40)7/h8-11,15,31,33-36,43H,1,12-14,16-27H2,2-7H3,(H,45,46)/t31-,33+,34-,35+,36+,39-,40+,41+,42-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to HIV1 gag polyprotein delta V370 mutant containing viral like particle |
J Med Chem 61: 7289-7313 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00854
BindingDB Entry DOI: 10.7270/Q2377C8R |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein
(Human immunodeficiency virus type 1 group M subtyp...) | BDBM50450016
(CHEMBL4163247)Show SMILES [H][C@]12[C@@H](CCC1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CCC(OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O)C(C)=C |r| Show InChI InChI=1S/C36H56O6/c1-21(2)22-12-17-36(30(40)41)19-18-34(8)23(28(22)36)10-11-25-33(7)15-14-26(42-27(37)20-31(3,4)29(38)39)32(5,6)24(33)13-16-35(25,34)9/h22-26,28H,1,10-20H2,2-9H3,(H,38,39)(H,40,41)/t22-,23+,24-,25+,26?,28+,33-,34+,35+,36?/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to HIV1 gag polyprotein V370A mutant containing viral like particle |
J Med Chem 61: 7289-7313 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00854
BindingDB Entry DOI: 10.7270/Q2377C8R |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein
(Human immunodeficiency virus type 1 group M subtyp...) | BDBM50450015
(Bms-955176 | GSK-3532795)Show SMILES [H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC=C(c4ccc(cc4)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)NCCN1CCS(=O)(=O)CC1)C(C)=C |r,t:21| Show InChI InChI=1S/C42H62N2O4S/c1-28(2)31-14-19-42(43-22-23-44-24-26-49(47,48)27-25-44)21-20-40(6)33(36(31)42)12-13-35-39(5)17-15-32(29-8-10-30(11-9-29)37(45)46)38(3,4)34(39)16-18-41(35,40)7/h8-11,15,31,33-36,43H,1,12-14,16-27H2,2-7H3,(H,45,46)/t31-,33+,34-,35+,36+,39-,40+,41+,42-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to HIV1 gag polyprotein A364V mutant containing viral like particle |
J Med Chem 61: 7289-7313 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00854
BindingDB Entry DOI: 10.7270/Q2377C8R |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein
(Human immunodeficiency virus type 1 group M subtyp...) | BDBM50450016
(CHEMBL4163247)Show SMILES [H][C@]12[C@@H](CCC1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CCC(OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O)C(C)=C |r| Show InChI InChI=1S/C36H56O6/c1-21(2)22-12-17-36(30(40)41)19-18-34(8)23(28(22)36)10-11-25-33(7)15-14-26(42-27(37)20-31(3,4)29(38)39)32(5,6)24(33)13-16-35(25,34)9/h22-26,28H,1,10-20H2,2-9H3,(H,38,39)(H,40,41)/t22-,23+,24-,25+,26?,28+,33-,34+,35+,36?/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 259 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to HIV1 gag polyprotein delta V370 mutant containing viral like particle |
J Med Chem 61: 7289-7313 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00854
BindingDB Entry DOI: 10.7270/Q2377C8R |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein
(Human immunodeficiency virus type 1 group M subtyp...) | BDBM231619
(GSK5750)Show InChI InChI=1S/C16H12N4O2S/c21-16-19-14(12-5-3-7-17-15(12)20(16)22)18-9-11-8-10-4-1-2-6-13(10)23-11/h1-8,22H,9H2,(H,18,19,21) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 387 | n/a | n/a | n/a | 7.8 | n/a |
McGill University
| Assay Description
In this case, 1 μM HIV-1 RT was added to 50 mM Tris-HCl (pH 7.8), 50 mM NaCl, 6 mM MgCl2, and varying concentrations of GSK5750 to form enzyme-i... |
J Biol Chem 289: 16270-7 (2014)
Article DOI: 10.1074/jbc.M114.569707
BindingDB Entry DOI: 10.7270/Q2MW2G0Q |
More data for this
Ligand-Target Pair | |
Integrase
(Human immunodeficiency virus 1) | BDBM50481236
(CHEMBL608682)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C53H83N17O15/c1-25(2)16-36(65-50(83)39(23-71)68-46(79)35(13-14-40(55)74)63-44(77)32(54)18-29-20-60-33-11-8-7-10-31(29)33)48(81)69-42(27(5)72)51(84)66-37(17-26(3)4)49(82)70-43(28(6)73)52(85)67-38(19-30-21-58-24-62-30)47(80)64-34(12-9-15-59-53(56)57)45(78)61-22-41(75)76/h7-8,10-11,20-21,24-28,32,34-39,42-43,60,71-73H,9,12-19,22-23,54H2,1-6H3,(H2,55,74)(H,58,62)(H,61,78)(H,63,77)(H,64,80)(H,65,83)(H,66,84)(H,67,85)(H,68,79)(H,69,81)(H,70,82)(H,75,76)(H4,56,57,59)/t27-,28-,32+,34+,35+,36+,37+,38+,39+,42+,43+/m1/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Binding affinity to histidine-tagged HIV1 full length integrase by fluorescence anisotropy |
Bioorg Med Chem 17: 7635-42 (2009)
Article DOI: 10.1016/j.bmc.2009.09.053
BindingDB Entry DOI: 10.7270/Q2ZG6W22 |
More data for this
Ligand-Target Pair | |
Integrase
(Human immunodeficiency virus 1) | BDBM50481233
(CHEMBL593680)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C53H83N17O14S/c1-25(2)16-36(65-50(82)39(23-85)68-46(78)35(13-14-40(55)73)63-44(76)32(54)18-29-20-60-33-11-8-7-10-31(29)33)48(80)69-42(27(5)71)51(83)66-37(17-26(3)4)49(81)70-43(28(6)72)52(84)67-38(19-30-21-58-24-62-30)47(79)64-34(12-9-15-59-53(56)57)45(77)61-22-41(74)75/h7-8,10-11,20-21,24-28,32,34-39,42-43,60,71-72,85H,9,12-19,22-23,54H2,1-6H3,(H2,55,73)(H,58,62)(H,61,77)(H,63,76)(H,64,79)(H,65,82)(H,66,83)(H,67,84)(H,68,78)(H,69,80)(H,70,81)(H,74,75)(H4,56,57,59)/t27-,28-,32+,34+,35+,36+,37+,38+,39+,42+,43+/m1/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Binding affinity to histidine-tagged HIV1 full length integrase by fluorescence anisotropy |
Bioorg Med Chem 17: 7635-42 (2009)
Article DOI: 10.1016/j.bmc.2009.09.053
BindingDB Entry DOI: 10.7270/Q2ZG6W22 |
More data for this
Ligand-Target Pair | |
Integrase
(Human immunodeficiency virus 1) | BDBM50481235
(WFVLLTITVLR)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C68H109N15O14/c1-15-39(12)54(64(93)83-56(41(14)85)65(94)80-53(38(10)11)63(92)77-48(28-34(2)3)58(87)74-47(67(96)97)26-21-27-72-68(70)71)81-66(95)55(40(13)84)82-60(89)50(30-36(6)7)76-59(88)49(29-35(4)5)78-62(91)52(37(8)9)79-61(90)51(31-42-22-17-16-18-23-42)75-57(86)45(69)32-43-33-73-46-25-20-19-24-44(43)46/h16-20,22-25,33-41,45,47-56,73,84-85H,15,21,26-32,69H2,1-14H3,(H,74,87)(H,75,86)(H,76,88)(H,77,92)(H,78,91)(H,79,90)(H,80,94)(H,81,95)(H,82,89)(H,83,93)(H,96,97)(H4,70,71,72)/t39-,40+,41+,45-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Binding affinity to histidine-tagged HIV1 full length integrase by fluorescence anisotropy |
Bioorg Med Chem 17: 7635-42 (2009)
Article DOI: 10.1016/j.bmc.2009.09.053
BindingDB Entry DOI: 10.7270/Q2ZG6W22 |
More data for this
Ligand-Target Pair | |
Integrase
(Human immunodeficiency virus 1) | BDBM50478743
(LKTVRLIKFLY)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r| Show InChI InChI=1S/C69H116N16O14/c1-12-42(10)56(66(96)78-48(23-16-18-30-70)59(89)81-53(36-44-21-14-13-15-22-44)63(93)80-51(34-39(4)5)62(92)82-54(68(98)99)37-45-26-28-46(87)29-27-45)84-64(94)52(35-40(6)7)79-60(90)50(25-20-32-75-69(73)74)77-65(95)55(41(8)9)83-67(97)57(43(11)86)85-61(91)49(24-17-19-31-71)76-58(88)47(72)33-38(2)3/h13-15,21-22,26-29,38-43,47-57,86-87H,12,16-20,23-25,30-37,70-72H2,1-11H3,(H,76,88)(H,77,95)(H,78,96)(H,79,90)(H,80,93)(H,81,89)(H,82,92)(H,83,97)(H,84,94)(H,85,91)(H,98,99)(H4,73,74,75)/t42-,43+,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Binding affinity to HIV1 integrase by fluorescence anisotrophy |
J Biol Chem 282: 15743-53 (2007)
Article DOI: 10.1074/jbc.m609864200
BindingDB Entry DOI: 10.7270/Q2JQ13T6 |
More data for this
Ligand-Target Pair | |
Integrase
(Human immunodeficiency virus 1) | BDBM50478097
(CHEMBL407473)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(O)=O Show InChI InChI=1S/C59H93N15O19/c1-9-30(8)48(58(91)71-40(23-45(78)79)55(88)69-39(22-44(63)77)53(86)67-37(19-28(4)5)52(85)70-41(24-46(80)81)56(89)73-47(29(6)7)59(92)93)74-50(83)35(16-12-13-17-60)65-51(84)36(18-27(2)3)68-57(90)42(26-75)72-54(87)38(21-43(62)76)66-49(82)33(61)20-31-25-64-34-15-11-10-14-32(31)34/h10-11,14-15,25,27-30,33,35-42,47-48,64,75H,9,12-13,16-24,26,60-61H2,1-8H3,(H2,62,76)(H2,63,77)(H,65,84)(H,66,82)(H,67,86)(H,68,90)(H,69,88)(H,70,85)(H,71,91)(H,72,87)(H,73,89)(H,74,83)(H,78,79)(H,80,81)(H,92,93)/t30-,33-,35-,36-,37-,38-,39-,40-,41-,42-,47-,48-/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a |
Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Binding affinity to HIV1 integrase tetrameric form by fluorescence anisotrophy |
Proc Natl Acad Sci U S A 104: 8316-21 (2007)
Article DOI: 10.1073/pnas.0700781104
BindingDB Entry DOI: 10.7270/Q28G8PF2 |
More data for this
Ligand-Target Pair | |
Integrase
(Human immunodeficiency virus 1) | BDBM50478095
(CHEMBL259981)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)CC)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](CC(O)=O)C(O)=O Show InChI InChI=1S/C128H208N36O40S/c1-19-62(13)99(161-105(181)71(131)45-68-53-139-72-31-24-23-30-70(68)72)125(201)154-81(46-69-54-137-57-140-69)111(187)142-66(17)103(179)143-77(36-38-94(171)172)110(186)163-100(63(14)20-2)123(199)146-73(32-25-27-39-129)107(183)151-83(48-91(133)167)117(193)158-88(55-165)120(196)150-79(43-59(7)8)112(188)144-74(33-26-28-40-130)109(185)162-102(65(16)22-4)126(202)156-85(50-95(173)174)118(194)152-82(47-90(132)166)116(192)149-80(44-60(9)10)113(189)153-86(51-96(175)176)119(195)160-98(61(11)12)122(198)155-84(49-92(134)168)115(191)145-75(34-29-41-138-128(135)136)108(184)159-89(56-205)121(197)164-101(64(15)21-3)124(200)147-76(35-37-93(169)170)106(182)141-67(18)104(180)148-78(42-58(5)6)114(190)157-87(127(203)204)52-97(177)178/h23-24,30-31,53-54,57-67,71,73-89,98-102,139,165,205H,19-22,25-29,32-52,55-56,129-131H2,1-18H3,(H2,132,166)(H2,133,167)(H2,134,168)(H,137,140)(H,141,182)(H,142,187)(H,143,179)(H,144,188)(H,145,191)(H,146,199)(H,147,200)(H,148,180)(H,149,192)(H,150,196)(H,151,183)(H,152,194)(H,153,189)(H,154,201)(H,155,198)(H,156,202)(H,157,190)(H,158,193)(H,159,184)(H,160,195)(H,161,181)(H,162,185)(H,163,186)(H,164,197)(H,169,170)(H,171,172)(H,173,174)(H,175,176)(H,177,178)(H,203,204)(H4,135,136,138)/t62-,63-,64-,65-,66-,67-,71-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,98-,99-,100-,101-,102-/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a |
Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Binding affinity to HIV1 integrase tetrameric form by fluorescence anisotrophy |
Proc Natl Acad Sci U S A 104: 8316-21 (2007)
Article DOI: 10.1073/pnas.0700781104
BindingDB Entry DOI: 10.7270/Q28G8PF2 |
More data for this
Ligand-Target Pair | |
Integrase
(Human immunodeficiency virus 1) | BDBM50478744
(CHEMBL527049)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)CCSC)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(O)=O |r| Show InChI InChI=1S/C147H238N40O47S/c1-16-77(12)116(140(228)169-85(31-20-22-49-148)122(210)174-95(61-80-29-18-17-19-30-80)132(220)173-93(59-74(6)7)130(218)175-96(62-81-38-40-82(193)41-39-81)131(219)166-88(42-45-107(151)194)126(214)179-102(70-190)137(225)177-99(63-108(152)195)142(230)186-54-27-36-105(186)144(232)187-55-28-37-106(187)143(231)185-53-26-35-104(185)138(226)181-103(71-191)145(233)234)183-135(223)94(60-75(8)9)171-123(211)87(34-25-52-158-147(155)156)168-139(227)115(76(10)11)182-141(229)117(79(14)192)184-127(215)86(32-21-23-50-149)164-128(216)91(57-72(2)3)172-129(217)92(58-73(4)5)170-125(213)90(44-47-112(200)201)165-124(212)89(43-46-111(198)199)167-134(222)98(65-114(204)205)176-136(224)101(69-189)180-133(221)97(64-113(202)203)163-110(197)67-160-120(208)100(68-188)178-121(209)84(33-24-51-157-146(153)154)162-109(196)66-159-118(206)78(13)161-119(207)83(150)48-56-235-15/h17-19,29-30,38-41,72-79,83-106,115-117,188-193H,16,20-28,31-37,42-71,148-150H2,1-15H3,(H2,151,194)(H2,152,195)(H,159,206)(H,160,208)(H,161,207)(H,162,196)(H,163,197)(H,164,216)(H,165,212)(H,166,219)(H,167,222)(H,168,227)(H,169,228)(H,170,213)(H,171,211)(H,172,217)(H,173,220)(H,174,210)(H,175,218)(H,176,224)(H,177,225)(H,178,209)(H,179,214)(H,180,221)(H,181,226)(H,182,229)(H,183,223)(H,184,215)(H,198,199)(H,200,201)(H,202,203)(H,204,205)(H,233,234)(H4,153,154,157)(H4,155,156,158)/t77-,78-,79+,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,115-,116-,117-/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 6.50E+3 | n/a | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Binding affinity to HIV1 integrase by fluorescence anisotrophy |
J Biol Chem 282: 15743-53 (2007)
Article DOI: 10.1074/jbc.m609864200
BindingDB Entry DOI: 10.7270/Q2JQ13T6 |
More data for this
Ligand-Target Pair | |
Integrase
(Human immunodeficiency virus 1) | BDBM50478742
(CHEMBL526172)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C78H124N22O21/c1-10-41(7)61(97-69(113)54(32-45-33-86-49-19-13-12-17-47(45)49)90-60(107)35-88-66(110)55(36-101)96-73(117)62(42(8)11-2)98-70(114)56(37-102)94-64(108)48(79)18-14-26-84-77(80)81)72(116)92-52(30-40(5)6)67(111)95-57(38-103)71(115)99-63(43(9)104)74(118)93-53(31-44-22-24-46(105)25-23-44)68(112)91-51(29-39(3)4)65(109)87-34-59(106)89-50(20-15-27-85-78(82)83)75(119)100-28-16-21-58(100)76(120)121/h12-13,17,19,22-25,33,39-43,48,50-58,61-63,86,101-105H,10-11,14-16,18,20-21,26-32,34-38,79H2,1-9H3,(H,87,109)(H,88,110)(H,89,106)(H,90,107)(H,91,112)(H,92,116)(H,93,118)(H,94,108)(H,95,111)(H,96,117)(H,97,113)(H,98,114)(H,99,115)(H,120,121)(H4,80,81,84)(H4,82,83,85)/t41-,42-,43+,48-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-,62-,63-/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 6.90E+3 | n/a | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Binding affinity to HIV1 integrase by fluorescence anisotrophy |
J Biol Chem 282: 15743-53 (2007)
Article DOI: 10.1074/jbc.m609864200
BindingDB Entry DOI: 10.7270/Q2JQ13T6 |
More data for this
Ligand-Target Pair | |
Integrase
(Human immunodeficiency virus 1) | BDBM50478745
(CHEMBL498994)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C110H165N23O27/c1-19-61(15)88(105(154)122-78(48-84(138)139)99(148)130-89(62(16)20-2)106(155)128-87(60(13)14)110(159)160)129-98(147)74(43-57(7)8)118-94(143)72(41-55(3)4)116-93(142)73(42-56(5)6)117-96(145)76(46-67-49-113-71-36-28-27-35-69(67)71)120-103(152)83-38-29-39-132(83)108(157)81(53-136)125-91(140)63(17)115-102(151)82-37-30-40-133(82)109(158)86(59(11)12)127-100(149)79(51-134)123-95(144)75(45-66-33-25-22-26-34-66)119-97(146)77(47-68-50-112-54-114-68)121-107(156)90(64(18)137)131-101(150)80(52-135)124-104(153)85(58(9)10)126-92(141)70(111)44-65-31-23-21-24-32-65/h21-28,31-36,49-50,54-64,70,72-83,85-90,113,134-137H,19-20,29-30,37-48,51-53,111H2,1-18H3,(H,112,114)(H,115,151)(H,116,142)(H,117,145)(H,118,143)(H,119,146)(H,120,152)(H,121,156)(H,122,154)(H,123,144)(H,124,153)(H,125,140)(H,126,141)(H,127,149)(H,128,155)(H,129,147)(H,130,148)(H,131,150)(H,138,139)(H,159,160)/t61-,62-,63-,64+,70-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,85-,86-,87-,88-,89-,90-/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 7.50E+3 | n/a | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Binding affinity to HIV1 integrase by fluorescence anisotrophy |
J Biol Chem 282: 15743-53 (2007)
Article DOI: 10.1074/jbc.m609864200
BindingDB Entry DOI: 10.7270/Q2JQ13T6 |
More data for this
Ligand-Target Pair | |
Integrase
(Human immunodeficiency virus 1) | BDBM50481234
(CHEMBL603517)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C110H180N30O26S/c1-21-59(16)85(103(160)140-89(63(20)144)106(163)135-84(58(14)15)102(159)129-73(39-52(2)3)93(150)126-72(108(165)166)34-28-38-119-110(115)116)136-107(164)88(62(19)143)139-96(153)75(41-54(6)7)127-94(151)74(40-53(4)5)130-101(158)83(57(12)13)134-99(156)78(44-64-29-23-22-24-30-64)123-82(146)49-121-91(148)70(33-27-37-118-109(113)114)125-95(152)79(46-66-48-117-51-122-66)132-105(162)87(61(18)142)138-98(155)77(43-56(10)11)131-104(161)86(60(17)141)137-97(154)76(42-55(8)9)128-100(157)80(50-167)133-92(149)71(35-36-81(112)145)124-90(147)68(111)45-65-47-120-69-32-26-25-31-67(65)69/h22-26,29-32,47-48,51-63,68,70-80,83-89,120,141-144,167H,21,27-28,33-46,49-50,111H2,1-20H3,(H2,112,145)(H,117,122)(H,121,148)(H,123,146)(H,124,147)(H,125,152)(H,126,150)(H,127,151)(H,128,157)(H,129,159)(H,130,158)(H,131,161)(H,132,162)(H,133,149)(H,134,156)(H,135,163)(H,136,164)(H,137,154)(H,138,155)(H,139,153)(H,140,160)(H,165,166)(H4,113,114,118)(H4,115,116,119)/t59-,60+,61+,62+,63+,68-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,83-,84-,85-,86-,87-,88-,89-/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 8.70E+3 | n/a | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Binding affinity to tetrameric histidine-tagged HIV1 full length integrase by fluorescence anisotropy |
Bioorg Med Chem 17: 7635-42 (2009)
Article DOI: 10.1016/j.bmc.2009.09.053
BindingDB Entry DOI: 10.7270/Q2ZG6W22 |
More data for this
Ligand-Target Pair | |
Integrase
(Human immunodeficiency virus 1) | BDBM50478746
(CHEMBL506910)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r| Show InChI InChI=1S/C134H217N39O37/c1-17-69(12)104(167-114(192)82(41-45-98(137)180)155-112(190)80(30-22-48-145-132(139)140)154-109(187)78(135)40-44-97(136)179)124(202)156-81(31-23-49-146-133(141)142)113(191)163-92(63-175)119(197)169-106(71(14)19-3)126(204)165-91(62-174)111(189)150-61-101(183)153-90(58-75-59-148-79-29-21-20-28-77(75)79)118(196)168-105(70(13)18-2)125(203)161-88(56-67(8)9)116(194)164-93(64-176)120(198)170-107(73(16)177)127(205)162-89(57-74-36-38-76(178)39-37-74)117(195)159-86(54-65(4)5)110(188)149-60-100(182)152-83(32-24-50-147-134(143)144)128(206)171-51-25-33-94(171)121(199)151-72(15)108(186)157-84(43-47-102(184)185)129(207)172-52-26-35-96(172)123(201)166-103(68(10)11)130(208)173-53-27-34-95(173)122(200)160-87(55-66(6)7)115(193)158-85(131(209)210)42-46-99(138)181/h20-21,28-29,36-39,59,65-73,78,80-96,103-107,148,174-178H,17-19,22-27,30-35,40-58,60-64,135H2,1-16H3,(H2,136,179)(H2,137,180)(H2,138,181)(H,149,188)(H,150,189)(H,151,199)(H,152,182)(H,153,183)(H,154,187)(H,155,190)(H,156,202)(H,157,186)(H,158,193)(H,159,195)(H,160,200)(H,161,203)(H,162,205)(H,163,191)(H,164,194)(H,165,204)(H,166,201)(H,167,192)(H,168,196)(H,169,197)(H,170,198)(H,184,185)(H,209,210)(H4,139,140,145)(H4,141,142,146)(H4,143,144,147)/t69-,70-,71-,72-,73+,78-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,103-,104-,105-,106-,107-/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.12E+4 | n/a | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Binding affinity to HIV1 integrase by fluorescence anisotrophy |
J Biol Chem 282: 15743-53 (2007)
Article DOI: 10.1074/jbc.m609864200
BindingDB Entry DOI: 10.7270/Q2JQ13T6 |
More data for this
Ligand-Target Pair | |
Integrase
(Human immunodeficiency virus 1) | BDBM50478096
(CHEMBL437619)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(O)=O Show InChI InChI=1S/C79H131N23O16S/c1-10-45(7)63(101-69(109)53(28-18-20-35-81)92-66(106)52(27-17-19-34-80)91-65(105)50(82)40-48-41-90-51-26-16-15-25-49(48)51)75(115)95-55(30-22-37-89-79(86)87)67(107)93-54(29-21-36-88-78(84)85)68(108)97-58(39-47-23-13-12-14-24-47)71(111)100-61(43(3)4)73(113)98-59(42-103)72(112)94-56(31-32-60(83)104)70(110)99-62(44(5)6)74(114)102-64(46(8)11-2)76(116)96-57(77(117)118)33-38-119-9/h12-16,23-26,41,43-46,50,52-59,61-64,90,103H,10-11,17-22,27-40,42,80-82H2,1-9H3,(H2,83,104)(H,91,105)(H,92,106)(H,93,107)(H,94,112)(H,95,115)(H,96,116)(H,97,108)(H,98,113)(H,99,110)(H,100,111)(H,101,109)(H,102,114)(H,117,118)(H4,84,85,88)(H4,86,87,89)/t45-,46-,50-,52-,53-,54-,55-,56-,57-,58-,59-,61-,62-,63-,64-/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a |
Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Binding affinity to HIV1 integrase tetrameric form by fluorescence anisotrophy |
Proc Natl Acad Sci U S A 104: 8316-21 (2007)
Article DOI: 10.1073/pnas.0700781104
BindingDB Entry DOI: 10.7270/Q28G8PF2 |
More data for this
Ligand-Target Pair | |
Integrase
(Human immunodeficiency virus 1) | BDBM50453729
(CHEMBL4206186)Show SMILES Oc1ccc(\C=C\S(=O)(=O)CCc2ccc(NC(=O)C3CCCCC3)cc2)cc1O Show InChI InChI=1S/C23H27NO5S/c25-21-11-8-18(16-22(21)26)13-15-30(28,29)14-12-17-6-9-20(10-7-17)24-23(27)19-4-2-1-3-5-19/h6-11,13,15-16,19,25-26H,1-5,12,14H2,(H,24,27)/b15-13+ | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.15E+5 | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Binding affinity to HIV1 integrase by surface plasma resonance method |
Bioorg Med Chem 25: 1076-1084 (2017)
Article DOI: 10.1016/j.bmc.2016.12.035
BindingDB Entry DOI: 10.7270/Q2SX6GTW |
More data for this
Ligand-Target Pair | |
Integrase
(Human immunodeficiency virus 1) | BDBM50453730
(CHEMBL4206051)Show SMILES Oc1ccc(\C=C\[S+]([O-])CCc2ccc(NC(=O)c3ccccc3)cc2)cc1O Show InChI InChI=1S/C23H21NO4S/c25-21-11-8-18(16-22(21)26)13-15-29(28)14-12-17-6-9-20(10-7-17)24-23(27)19-4-2-1-3-5-19/h1-11,13,15-16,25-26H,12,14H2,(H,24,27)/b15-13+ | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.42E+5 | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Binding affinity to HIV1 integrase by surface plasma resonance method |
Bioorg Med Chem 25: 1076-1084 (2017)
Article DOI: 10.1016/j.bmc.2016.12.035
BindingDB Entry DOI: 10.7270/Q2SX6GTW |
More data for this
Ligand-Target Pair | |
Integrase
(Human immunodeficiency virus 1) | BDBM50453728
(CHEMBL4218163)Show SMILES Oc1ccc(\C=C\S(=O)(=O)CCc2ccc(NC(=O)c3ccccc3)cc2)cc1O Show InChI InChI=1S/C23H21NO5S/c25-21-11-8-18(16-22(21)26)13-15-30(28,29)14-12-17-6-9-20(10-7-17)24-23(27)19-4-2-1-3-5-19/h1-11,13,15-16,25-26H,12,14H2,(H,24,27)/b15-13+ | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.60E+5 | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Binding affinity to HIV1 integrase by surface plasma resonance method |
Bioorg Med Chem 25: 1076-1084 (2017)
Article DOI: 10.1016/j.bmc.2016.12.035
BindingDB Entry DOI: 10.7270/Q2SX6GTW |
More data for this
Ligand-Target Pair | |
Integrase
(Human immunodeficiency virus 1) | BDBM50163754
(CHEMBL1614842)Show InChI InChI=1S/C11H10BrN3O2/c1-15-10(13)4-8(14-15)6-2-7(12)11-9(3-6)16-5-17-11/h2-4H,5,13H2,1H3 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | 1.70E+5 | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Binding affinity to HIV integrase |
J Med Chem 59: 2849-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00497
BindingDB Entry DOI: 10.7270/Q2JH3P3H |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Integrase
(Human immunodeficiency virus 1) | BDBM50453727
(CHEMBL4214002)Show SMILES CC(=O)Oc1ccc(\C=C\S(=O)(=O)CCc2ccc(NC(=O)c3ccccc3)cc2)cc1OC(C)=O Show InChI InChI=1S/C27H25NO7S/c1-19(29)34-25-13-10-22(18-26(25)35-20(2)30)15-17-36(32,33)16-14-21-8-11-24(12-9-21)28-27(31)23-6-4-3-5-7-23/h3-13,15,17-18H,14,16H2,1-2H3,(H,28,31)/b17-15+ | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 2.07E+5 | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Binding affinity to HIV1 integrase by surface plasma resonance method |
Bioorg Med Chem 25: 1076-1084 (2017)
Article DOI: 10.1016/j.bmc.2016.12.035
BindingDB Entry DOI: 10.7270/Q2SX6GTW |
More data for this
Ligand-Target Pair | |
Integrase
(Human immunodeficiency virus 1) | BDBM50163753
(CHEMBL1615094)Show InChI InChI=1S/C8H9N3S/c1-11-8(9)5-6(10-11)7-3-2-4-12-7/h2-5H,9H2,1H3 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | 2.80E+6 | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Binding affinity to HIV integrase |
J Med Chem 59: 2849-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00497
BindingDB Entry DOI: 10.7270/Q2JH3P3H |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Integrase
(Human immunodeficiency virus 1) | BDBM36291
(sesamol)Show InChI InChI=1S/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H2 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | 5.50E+6 | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Binding affinity to HIV integrase |
J Med Chem 59: 2849-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00497
BindingDB Entry DOI: 10.7270/Q2JH3P3H |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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