BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2870 hits Enz. Inhib. hit(s) with Target = 'Human immunodeficiency virus type 1 integrase'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM23402
PNG
(5-(1,1-dioxo-1,2-thiazinan-2-yl)-N-[(4-fluoropheny...)
Show SMILES Oc1c(nc(N2CCCCS2(=O)=O)c2cccnc12)C(=O)NCc1ccc(F)cc1
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
MMDB

B.MOAD
DrugBank
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Università di Messina

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit the overall HIV-1 integrase strand transfer


J Med Chem 48: 7084-8 (2005)


Article DOI: 10.1021/jm050549e
BindingDB Entry DOI: 10.7270/Q27W6BR1
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM294814
PNG
(US10112899, Example 285)
Show SMILES Cc1c2CN(Cc2c(C)c(-c2cc(F)c3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)c1cc(F)ccc1F
Show InChI InChI=1S/C33H34F3NO5/c1-16-20-8-7-11-41-29(20)26(36)13-21(16)27-17(2)23-14-37(31(38)22-12-19(34)9-10-25(22)35)15-24(23)18(3)28(27)30(32(39)40)42-33(4,5)6/h9-10,12-13,30H,7-8,11,14-15H2,1-6H3,(H,39,40)/t30-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50176113
PNG
((Z)-4-[1-(4-Fluoro-benzyl)-1H-indol-3-yl]-2-hydrox...)
Show SMILES OC(=O)C(=O)CC(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12
Show InChI InChI=1S/C19H14FNO4/c20-13-7-5-12(6-8-13)10-21-11-15(14-3-1-2-4-16(14)21)17(22)9-18(23)19(24)25/h1-8,11H,9-10H2,(H,24,25)
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Università di Messina

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit the overall HIV-1 integrase strand transfer


J Med Chem 48: 7084-8 (2005)


Article DOI: 10.1021/jm050549e
BindingDB Entry DOI: 10.7270/Q27W6BR1
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM294851
PNG
(US10112899, Example 321)
Show SMILES Cc1c2CN(Cc2c(C)c(-c2ccc3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)N1CCCCC1
Show InChI InChI=1S/C32H42N2O5/c1-19-22-11-10-16-38-26(22)13-12-23(19)27-20(2)24-17-34(31(37)33-14-8-7-9-15-33)18-25(24)21(3)28(27)29(30(35)36)39-32(4,5)6/h12-13,29H,7-11,14-18H2,1-6H3,(H,35,36)/t29-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM294706
PNG
(US10112899, Example 184)
Show SMILES Cc1c2CN(Cc2c(C)c(-c2cc(F)c3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)c1ccccn1
Show InChI InChI=1S/C32H35FN2O5/c1-17-20-10-9-13-39-28(20)24(33)14-21(17)26-18(2)22-15-35(30(36)25-11-7-8-12-34-25)16-23(22)19(3)27(26)29(31(37)38)40-32(4,5)6/h7-8,11-12,14,29H,9-10,13,15-16H2,1-6H3,(H,37,38)/t29-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM294708
PNG
(US10112899, Example 186)
Show SMILES Cc1c2CN(Cc2c(C)c(-c2cc(F)c3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C33H34F3NO5/c1-16-20-8-7-11-41-29(20)26(36)13-21(16)27-17(2)22-14-37(31(38)19-9-10-24(34)25(35)12-19)15-23(22)18(3)28(27)30(32(39)40)42-33(4,5)6/h9-10,12-13,30H,7-8,11,14-15H2,1-6H3,(H,39,40)/t30-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM294714
PNG
(US10112899, Example 191)
Show SMILES Cc1cc(C)cc(c1)C(=O)N1Cc2c(C1)c(C)c(-c1cc(F)c3OCCCc3c1C)c([C@H](OC(C)(C)C)C(O)=O)c2C
Show InChI InChI=1S/C35H40FNO5/c1-18-12-19(2)14-23(13-18)33(38)37-16-26-21(4)29(25-15-28(36)31-24(20(25)3)10-9-11-41-31)30(22(5)27(26)17-37)32(34(39)40)42-35(6,7)8/h12-15,32H,9-11,16-17H2,1-8H3,(H,39,40)/t32-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM294719
PNG
(US10112899, Example 196)
Show SMILES COc1ccc(cc1)C(=O)N1Cc2c(C1)c(C)c(-c1cc(F)c3OCCCc3c1C)c([C@H](OC(C)(C)C)C(O)=O)c2C
Show InChI InChI=1S/C34H38FNO6/c1-18-23-9-8-14-41-30(23)27(35)15-24(18)28-19(2)25-16-36(32(37)21-10-12-22(40-7)13-11-21)17-26(25)20(3)29(28)31(33(38)39)42-34(4,5)6/h10-13,15,31H,8-9,14,16-17H2,1-7H3,(H,38,39)/t31-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM294738
PNG
((S)-2-(tert-butoxy)-2-((M)-6-(8-fluoro-5-methylchr...)
Show SMILES C[C@H]1CCCN1C(=O)N1Cc2c(C1)c(C)c(-c1cc(F)c3OCCCc3c1C)c([C@H](OC(C)(C)C)C(O)=O)c2C
Show InChI InChI=1S/C32H41FN2O5/c1-17-10-8-12-35(17)31(38)34-15-23-19(3)26(22-14-25(33)28-21(18(22)2)11-9-13-39-28)27(20(4)24(23)16-34)29(30(36)37)40-32(5,6)7/h14,17,29H,8-13,15-16H2,1-7H3,(H,36,37)/t17-,29-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM294657
PNG
((S)-2-(tert-butoxy)-2-((R)-2-(5-fluoro-2-methylben...)
Show SMILES Cc1ccc(F)cc1C(=O)N1Cc2c(C1)c(C)c(-c1cc(F)c3OCCCc3c1C)c([C@H](OC(C)(C)C)C(O)=O)c2C
Show InChI InChI=1S/C34H37F2NO5/c1-17-10-11-21(35)13-23(17)32(38)37-15-25-19(3)28(24-14-27(36)30-22(18(24)2)9-8-12-41-30)29(20(4)26(25)16-37)31(33(39)40)42-34(5,6)7/h10-11,13-14,31H,8-9,12,15-16H2,1-7H3,(H,39,40)/t31-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM294658
PNG
(US10112899, Example 137)
Show SMILES Cc1c2CN(Cc2c(C)c(-c2cc(F)c3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)C1CCCCC1
Show InChI InChI=1S/C33H42FNO5/c1-18-22-13-10-14-39-29(22)26(34)15-23(18)27-19(2)24-16-35(31(36)21-11-8-7-9-12-21)17-25(24)20(3)28(27)30(32(37)38)40-33(4,5)6/h15,21,30H,7-14,16-17H2,1-6H3,(H,37,38)/t30-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM294659
PNG
(US10112899, Example 138)
Show SMILES Cc1c2CN(Cc2c(C)c(-c2cc(F)c3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)c1cccc2OCOc12
Show InChI InChI=1S/C34H36FNO7/c1-17-20-10-8-12-40-29(20)25(35)13-22(17)27-18(2)23-14-36(32(37)21-9-7-11-26-30(21)42-16-41-26)15-24(23)19(3)28(27)31(33(38)39)43-34(4,5)6/h7,9,11,13,31H,8,10,12,14-16H2,1-6H3,(H,38,39)/t31-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM294661
PNG
(US10112899, Example 140)
Show SMILES COc1cc(F)cc(c1)C(=O)N1Cc2c(C1)c(C)c(-c1cc(F)c3OCCCc3c1C)c([C@H](OC(C)(C)C)C(O)=O)c2C
Show InChI InChI=1S/C34H37F2NO6/c1-17-23-9-8-10-42-30(23)27(36)14-24(17)28-18(2)25-15-37(32(38)20-11-21(35)13-22(12-20)41-7)16-26(25)19(3)29(28)31(33(39)40)43-34(4,5)6/h11-14,31H,8-10,15-16H2,1-7H3,(H,39,40)/t31-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM294666
PNG
(US10112899, Example 145)
Show SMILES Cc1cc(ccc1F)C(=O)N1Cc2c(C1)c(C)c(-c1cc(F)c3OCCCc3c1C)c([C@H](OC(C)(C)C)C(O)=O)c2C
Show InChI InChI=1S/C34H37F2NO5/c1-17-13-21(10-11-26(17)35)32(38)37-15-24-19(3)28(23-14-27(36)30-22(18(23)2)9-8-12-41-30)29(20(4)25(24)16-37)31(33(39)40)42-34(5,6)7/h10-11,13-14,31H,8-9,12,15-16H2,1-7H3,(H,39,40)/t31-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM294670
PNG
(US10112899, Example 149)
Show SMILES Cc1cccc(c1)C(=O)N1Cc2c(C1)c(C)c(-c1cc(F)c3OCCCc3c1C)c([C@H](OC(C)(C)C)C(O)=O)c2C
Show InChI InChI=1S/C34H38FNO5/c1-18-10-8-11-22(14-18)32(37)36-16-25-20(3)28(24-15-27(35)30-23(19(24)2)12-9-13-40-30)29(21(4)26(25)17-36)31(33(38)39)41-34(5,6)7/h8,10-11,14-15,31H,9,12-13,16-17H2,1-7H3,(H,38,39)/t31-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM294673
PNG
(US10112899, Example 152)
Show SMILES Cc1c2CN(Cc2c(C)c(-c2cc(F)c3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)c1cccc2CCOc12
Show InChI InChI=1S/C35H38FNO6/c1-18-22-11-8-13-41-31(22)27(36)15-24(18)28-19(2)25-16-37(33(38)23-10-7-9-21-12-14-42-30(21)23)17-26(25)20(3)29(28)32(34(39)40)43-35(4,5)6/h7,9-10,15,32H,8,11-14,16-17H2,1-6H3,(H,39,40)/t32-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM294679
PNG
(US10112899, Example 158)
Show SMILES Cc1c2CN(Cc2c(C)c(-c2cc(F)c3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)c1ccccc1
Show InChI InChI=1S/C33H36FNO5/c1-18-22-13-10-14-39-29(22)26(34)15-23(18)27-19(2)24-16-35(31(36)21-11-8-7-9-12-21)17-25(24)20(3)28(27)30(32(37)38)40-33(4,5)6/h7-9,11-12,15,30H,10,13-14,16-17H2,1-6H3,(H,37,38)/t30-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM294680
PNG
(US10112899, Example 159)
Show SMILES COc1cccc(c1)C(=O)N1Cc2c(C1)c(C)c(-c1cc(F)c3OCCCc3c1C)c([C@H](OC(C)(C)C)C(O)=O)c2C
Show InChI InChI=1S/C34H38FNO6/c1-18-23-12-9-13-41-30(23)27(35)15-24(18)28-19(2)25-16-36(32(37)21-10-8-11-22(14-21)40-7)17-26(25)20(3)29(28)31(33(38)39)42-34(4,5)6/h8,10-11,14-15,31H,9,12-13,16-17H2,1-7H3,(H,38,39)/t31-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM294683
PNG
(US10112899, Example 162)
Show SMILES Cc1c2CN(Cc2c(C)c(-c2cc(F)c3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)c1cccc2OC(F)(F)Oc12
Show InChI InChI=1S/C34H34F3NO7/c1-16-19-10-8-12-42-28(19)24(35)13-21(16)26-17(2)22-14-38(31(39)20-9-7-11-25-29(20)45-34(36,37)43-25)15-23(22)18(3)27(26)30(32(40)41)44-33(4,5)6/h7,9,11,13,30H,8,10,12,14-15H2,1-6H3,(H,40,41)/t30-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM294691
PNG
(US10112899, Example 169)
Show SMILES Cc1c2CN(Cc2c(C)c(-c2cc(F)c3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)c1cccc2ccoc12
Show InChI InChI=1S/C35H36FNO6/c1-18-22-11-8-13-41-31(22)27(36)15-24(18)28-19(2)25-16-37(33(38)23-10-7-9-21-12-14-42-30(21)23)17-26(25)20(3)29(28)32(34(39)40)43-35(4,5)6/h7,9-10,12,14-15,32H,8,11,13,16-17H2,1-6H3,(H,39,40)/t32-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM294692
PNG
(US10112899, Example 170)
Show SMILES Cc1c2CN(Cc2c(C)c(-c2cc(F)c3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)c1cc(F)cc(F)c1
Show InChI InChI=1S/C33H34F3NO5/c1-16-22-8-7-9-41-29(22)26(36)13-23(16)27-17(2)24-14-37(31(38)19-10-20(34)12-21(35)11-19)15-25(24)18(3)28(27)30(32(39)40)42-33(4,5)6/h10-13,30H,7-9,14-15H2,1-6H3,(H,39,40)/t30-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM294693
PNG
(US10112899, Example 171)
Show SMILES Cc1c2CN(Cc2c(C)c(-c2cc(F)c3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C33H34ClF2NO5/c1-16-20-8-7-11-41-29(20)26(36)13-21(16)27-17(2)22-14-37(31(38)19-9-10-25(35)24(34)12-19)15-23(22)18(3)28(27)30(32(39)40)42-33(4,5)6/h9-10,12-13,30H,7-8,11,14-15H2,1-6H3,(H,39,40)/t30-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM294657
PNG
((S)-2-(tert-butoxy)-2-((R)-2-(5-fluoro-2-methylben...)
Show SMILES Cc1ccc(F)cc1C(=O)N1Cc2c(C1)c(C)c(-c1cc(F)c3OCCCc3c1C)c([C@H](OC(C)(C)C)C(O)=O)c2C
Show InChI InChI=1S/C34H37F2NO5/c1-17-10-11-21(35)13-23(17)32(38)37-15-25-19(3)28(24-14-27(36)30-22(18(24)2)9-8-12-41-30)29(20(4)26(25)16-37)31(33(39)40)42-34(5,6)7/h10-11,13-14,31H,8-9,12,15-16H2,1-7H3,(H,39,40)/t31-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM294700
PNG
(US10112899, Example 178)
Show SMILES Cc1cc(F)cc(c1)C(=O)N1Cc2c(C1)c(C)c(-c1cc(F)c3OCCCc3c1C)c([C@H](OC(C)(C)C)C(O)=O)c2C
Show InChI InChI=1S/C34H37F2NO5/c1-17-11-21(13-22(35)12-17)32(38)37-15-25-19(3)28(24-14-27(36)30-23(18(24)2)9-8-10-41-30)29(20(4)26(25)16-37)31(33(39)40)42-34(5,6)7/h11-14,31H,8-10,15-16H2,1-7H3,(H,39,40)/t31-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM294622
PNG
((S)-2-(tert-butoxy)-2-((R)-2-(3,3-difluoropiperidi...)
Show SMILES Cc1c2CN(Cc2c(C)c(-c2cc(F)c3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)N1CCCC(F)(F)C1
Show InChI InChI=1S/C32H39F3N2O5/c1-17-20-9-7-12-41-27(20)24(33)13-21(17)25-18(2)22-14-37(30(40)36-11-8-10-32(34,35)16-36)15-23(22)19(3)26(25)28(29(38)39)42-31(4,5)6/h13,28H,7-12,14-16H2,1-6H3,(H,38,39)/t28-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM294623
PNG
(US10112899, Example 103)
Show SMILES Cc1c2CN(Cc2c(C)c(-c2cc(F)c3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)c1cccc(F)c1
Show InChI InChI=1S/C33H35F2NO5/c1-17-22-11-8-12-40-29(22)26(35)14-23(17)27-18(2)24-15-36(31(37)20-9-7-10-21(34)13-20)16-25(24)19(3)28(27)30(32(38)39)41-33(4,5)6/h7,9-10,13-14,30H,8,11-12,15-16H2,1-6H3,(H,38,39)/t30-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM294624
PNG
((S)-2-(tert-butoxy)-2-((M)-2-(3,3-dimethylbutanoyl...)
Show SMILES Cc1c2CN(Cc2c(C)c(-c2cc(F)c3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)CC(C)(C)C
Show InChI InChI=1S/C32H42FNO5/c1-17-20-11-10-12-38-28(20)24(33)13-21(17)26-18(2)22-15-34(25(35)14-31(4,5)6)16-23(22)19(3)27(26)29(30(36)37)39-32(7,8)9/h13,29H,10-12,14-16H2,1-9H3,(H,36,37)/t29-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM294834
PNG
(US10112899, Example 305)
Show SMILES Cc1c2CN(Cc2c(C)c(-c2ccc3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)c1cccc(F)c1
Show InChI InChI=1S/C33H36FNO5/c1-18-23-11-8-14-39-27(23)13-12-24(18)28-19(2)25-16-35(31(36)21-9-7-10-22(34)15-21)17-26(25)20(3)29(28)30(32(37)38)40-33(4,5)6/h7,9-10,12-13,15,30H,8,11,14,16-17H2,1-6H3,(H,37,38)/t30-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM23402
PNG
(5-(1,1-dioxo-1,2-thiazinan-2-yl)-N-[(4-fluoropheny...)
Show SMILES Oc1c(nc(N2CCCCS2(=O)=O)c2cccnc12)C(=O)NCc1ccc(F)cc1
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
MMDB

B.MOAD
DrugBank
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



Università di Messina

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit the HIV-1 integrase strand transfer


J Med Chem 48: 7084-8 (2005)


Article DOI: 10.1021/jm050549e
BindingDB Entry DOI: 10.7270/Q27W6BR1
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM294847
PNG
(US10112899, Example 317)
Show SMILES Cc1c2CN(Cc2c(C)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)N1CCCCC1
Show InChI InChI=1S/C31H40N2O5/c1-19-23-17-33(30(36)32-13-7-6-8-14-32)18-24(23)20(2)27(28(29(34)35)38-31(3,4)5)26(19)22-11-12-25-21(16-22)10-9-15-37-25/h11-12,16,28H,6-10,13-15,17-18H2,1-5H3,(H,34,35)/t28-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM294621
PNG
((2S)-2-(tert-butoxy)-2-(6-(M)-(8-fluoro-5-methylch...)
Show SMILES Cc1c2CN(Cc2c(C)c(-c2cc(F)c3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)N1CCCCC1
Show InChI InChI=1S/C32H41FN2O5/c1-18-21-11-10-14-39-28(21)25(33)15-22(18)26-19(2)23-16-35(31(38)34-12-8-7-9-13-34)17-24(23)20(3)27(26)29(30(36)37)40-32(4,5)6/h15,29H,7-14,16-17H2,1-6H3,(H,36,37)/t29-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM294709
PNG
(US10112899, Example 187)
Show SMILES COc1ccc(cc1F)C(=O)N1Cc2c(C1)c(C)c(-c1cc(F)c3OCCCc3c1C)c([C@H](OC(C)(C)C)C(O)=O)c2C
Show InChI InChI=1S/C34H37F2NO6/c1-17-21-9-8-12-42-30(21)26(36)14-22(17)28-18(2)23-15-37(32(38)20-10-11-27(41-7)25(35)13-20)16-24(23)19(3)29(28)31(33(39)40)43-34(4,5)6/h10-11,13-14,31H,8-9,12,15-16H2,1-7H3,(H,39,40)/t31-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM294718
PNG
(US10112899, Example 195)
Show SMILES COc1c(F)cccc1C(=O)N1Cc2c(C1)c(C)c(-c1cc(F)c3OCCCc3c1C)c([C@H](OC(C)(C)C)C(O)=O)c2C
Show InChI InChI=1S/C34H37F2NO6/c1-17-20-11-9-13-42-30(20)26(36)14-22(17)27-18(2)23-15-37(32(38)21-10-8-12-25(35)29(21)41-7)16-24(23)19(3)28(27)31(33(39)40)43-34(4,5)6/h8,10,12,14,31H,9,11,13,15-16H2,1-7H3,(H,39,40)/t31-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM294739
PNG
((S)-2-(tert-butoxy)-2-((M)-2-(4,4-difluoropiperidi...)
Show SMILES Cc1c2CN(Cc2c(C)c(-c2cc(F)c3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)N1CCC(F)(F)CC1
Show InChI InChI=1S/C32H39F3N2O5/c1-17-20-8-7-13-41-27(20)24(33)14-21(17)25-18(2)22-15-37(30(40)36-11-9-32(34,35)10-12-36)16-23(22)19(3)26(25)28(29(38)39)42-31(4,5)6/h14,28H,7-13,15-16H2,1-6H3,(H,38,39)/t28-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM294740
PNG
((S)-2-(tert-butoxy)-2-((M)-2-(3,3-dimethylpyrrolid...)
Show SMILES Cc1c2CN(Cc2c(C)c(-c2cc(F)c3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)N1CCC(C)(C)C1
Show InChI InChI=1S/C33H43FN2O5/c1-18-21-10-9-13-40-28(21)25(34)14-22(18)26-19(2)23-15-36(31(39)35-12-11-33(7,8)17-35)16-24(23)20(3)27(26)29(30(37)38)41-32(4,5)6/h14,29H,9-13,15-17H2,1-8H3,(H,37,38)/t29-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM294779
PNG
(US10112899, Example 251)
Show SMILES COc1cc(ccc1F)C(=O)N1Cc2c(C1)c(C)c(-c1ccc(C)cc1)c([C@H](OC(C)(C)C)C(O)=O)c2C
Show InChI InChI=1S/C31H34FNO5/c1-17-8-10-20(11-9-17)26-18(2)22-15-33(29(34)21-12-13-24(32)25(14-21)37-7)16-23(22)19(3)27(26)28(30(35)36)38-31(4,5)6/h8-14,28H,15-16H2,1-7H3,(H,35,36)/t28-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM294640
PNG
(US10112899, Example 119)
Show SMILES Cc1ccc(cc1)-c1c(C)c2CN(Cc2c(C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)c1cc(F)cc(F)c1
Show InChI InChI=1S/C30H31F2NO4/c1-16-7-9-19(10-8-16)25-17(2)23-14-33(28(34)20-11-21(31)13-22(32)12-20)15-24(23)18(3)26(25)27(29(35)36)37-30(4,5)6/h7-13,27H,14-15H2,1-6H3,(H,35,36)/t27-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM294641
PNG
(US10112899, Example 120)
Show SMILES Cc1ccc(cc1)-c1c(C)c2CN(Cc2c(C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)c1cccc(F)c1F
Show InChI InChI=1S/C30H31F2NO4/c1-16-10-12-19(13-11-16)24-17(2)21-14-33(28(34)20-8-7-9-23(31)26(20)32)15-22(21)18(3)25(24)27(29(35)36)37-30(4,5)6/h7-13,27H,14-15H2,1-6H3,(H,35,36)/t27-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM294643
PNG
(US10112899, Example 122)
Show SMILES COc1cc(F)cc(c1)C(=O)N1Cc2c(C1)c(C)c(-c1ccc(C)cc1)c([C@H](OC(C)(C)C)C(O)=O)c2C
Show InChI InChI=1S/C31H34FNO5/c1-17-8-10-20(11-9-17)26-18(2)24-15-33(29(34)21-12-22(32)14-23(13-21)37-7)16-25(24)19(3)27(26)28(30(35)36)38-31(4,5)6/h8-14,28H,15-16H2,1-7H3,(H,35,36)/t28-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM294667
PNG
(US10112899, Example 146)
Show SMILES Cc1ccccc1C(=O)N1Cc2c(C1)c(C)c(-c1cc(F)c3OCCCc3c1C)c([C@H](OC(C)(C)C)C(O)=O)c2C
Show InChI InChI=1S/C34H38FNO5/c1-18-11-8-9-12-22(18)32(37)36-16-25-20(3)28(24-15-27(35)30-23(19(24)2)13-10-14-40-30)29(21(4)26(25)17-36)31(33(38)39)41-34(5,6)7/h8-9,11-12,15,31H,10,13-14,16-17H2,1-7H3,(H,38,39)/t31-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM294677
PNG
(US10112899, Example 156)
Show SMILES COc1cc(ccc1C)C(=O)N1Cc2c(C1)c(C)c(-c1cc(F)c3OCCCc3c1C)c([C@H](OC(C)(C)C)C(O)=O)c2C
Show InChI InChI=1S/C35H40FNO6/c1-18-11-12-22(14-28(18)41-8)33(38)37-16-25-20(3)29(24-15-27(36)31-23(19(24)2)10-9-13-42-31)30(21(4)26(25)17-37)32(34(39)40)43-35(5,6)7/h11-12,14-15,32H,9-10,13,16-17H2,1-8H3,(H,39,40)/t32-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM294678
PNG
(US10112899, Example 157)
Show SMILES Cc1ccc(C)c(c1)C(=O)N1Cc2c(C1)c(C)c(-c1cc(F)c3OCCCc3c1C)c([C@H](OC(C)(C)C)C(O)=O)c2C
Show InChI InChI=1S/C35H40FNO5/c1-18-11-12-19(2)24(14-18)33(38)37-16-26-21(4)29(25-15-28(36)31-23(20(25)3)10-9-13-41-31)30(22(5)27(26)17-37)32(34(39)40)42-35(6,7)8/h11-12,14-15,32H,9-10,13,16-17H2,1-8H3,(H,39,40)/t32-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM294682
PNG
(US10112899, Example 161)
Show SMILES Cc1c2CN(Cc2c(C)c(-c2cc(F)c3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)c1cccc2CCCc12
Show InChI InChI=1S/C36H40FNO5/c1-19-23-14-9-15-42-32(23)29(37)16-26(19)30-20(2)27-17-38(34(39)25-13-8-11-22-10-7-12-24(22)25)18-28(27)21(3)31(30)33(35(40)41)43-36(4,5)6/h8,11,13,16,33H,7,9-10,12,14-15,17-18H2,1-6H3,(H,40,41)/t33-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM294695
PNG
(US10112899, Example 173)
Show SMILES Cc1c2CN(Cc2c(C)c(-c2cc(F)c3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)c1cc(F)c(F)c(F)c1
Show InChI InChI=1S/C33H33F4NO5/c1-15-19-8-7-9-42-29(19)25(36)12-20(15)26-16(2)21-13-38(31(39)18-10-23(34)28(37)24(35)11-18)14-22(21)17(3)27(26)30(32(40)41)43-33(4,5)6/h10-12,30H,7-9,13-14H2,1-6H3,(H,40,41)/t30-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM294850
PNG
(US10112899, Example 320)
Show SMILES Cc1c2CN(Cc2c(C)c(-c2ccc3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)N1CCC(F)(F)C1
Show InChI InChI=1S/C31H38F2N2O5/c1-17-20-8-7-13-39-24(20)10-9-21(17)25-18(2)22-14-35(29(38)34-12-11-31(32,33)16-34)15-23(22)19(3)26(25)27(28(36)37)40-30(4,5)6/h9-10,27H,7-8,11-16H2,1-6H3,(H,36,37)/t27-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM294782
PNG
(US10112899, Example 254)
Show SMILES Cc1ccc(cc1)-c1c(C)c2CN(Cc2c(C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C30H32FNO4/c1-17-7-9-20(10-8-17)25-18(2)23-15-32(28(33)21-11-13-22(31)14-12-21)16-24(23)19(3)26(25)27(29(34)35)36-30(4,5)6/h7-14,27H,15-16H2,1-6H3,(H,34,35)/t27-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM294527
PNG
(US10112899, Example 7)
Show SMILES Cc1ccc(cc1)-c1c(C)c2CN(Cc2c(C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)N1CCCCC1
Show InChI InChI=1S/C29H38N2O4/c1-18-10-12-21(13-11-18)24-19(2)22-16-31(28(34)30-14-8-7-9-15-30)17-23(22)20(3)25(24)26(27(32)33)35-29(4,5)6/h10-13,26H,7-9,14-17H2,1-6H3,(H,32,33)/t26-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM294794
PNG
(US10112899, Example 265)
Show SMILES Cc1ccc(cc1)-c1c(C)c2CN(Cc2c(C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C31H33NO6/c1-17-7-9-20(10-8-17)26-18(2)22-14-32(29(33)21-11-12-24-25(13-21)37-16-36-24)15-23(22)19(3)27(26)28(30(34)35)38-31(4,5)6/h7-13,28H,14-16H2,1-6H3,(H,34,35)/t28-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM294799
PNG
(US10112899, Example 270)
Show SMILES Cc1ccc(cc1)-c1c(C)c2CN(Cc2c(C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C30H32ClNO4/c1-17-7-9-20(10-8-17)25-18(2)23-15-32(28(33)21-11-13-22(31)14-12-21)16-24(23)19(3)26(25)27(29(34)35)36-30(4,5)6/h7-14,27H,15-16H2,1-6H3,(H,34,35)/t27-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM294802
PNG
(US10112899, Example 273)
Show SMILES Cc1ccc(cc1)-c1c(C)c2CN(Cc2c(C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)c1ccccn1
Show InChI InChI=1S/C29H32N2O4/c1-17-10-12-20(13-11-17)24-18(2)21-15-31(27(32)23-9-7-8-14-30-23)16-22(21)19(3)25(24)26(28(33)34)35-29(4,5)6/h7-14,26H,15-16H2,1-6H3,(H,33,34)/t26-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)

More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 2870 total )  |  Next  |  Last  >>
Jump to: