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Found 11 hits Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein (Capsid Protein)' AND taxid = 11698   
Target
(Institution)
LigandTarget
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
Gag-Pol polyprotein (Capsid Protein)


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM188497
PNG
(2-(6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-y...)
Show SMILES Cc1nc2ccc(Br)cc2c(-c2ccc(Cl)cc2)c1C(OC(C)(C)C)C(O)=O
Show InChI InChI=1/C22H21BrClNO3/c1-12-18(20(21(26)27)28-22(2,3)4)19(13-5-8-15(24)9-6-13)16-11-14(23)7-10-17(16)25-12/h5-11,20H,1-4H3,(H,26,27)
PDB
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UniProtKB/SwissProt

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GoogleScholar
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PC sid
PDB
UniChem

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AffyNet 
Article
PubMed
n/an/a 170n/an/an/an/an/an/a



The Ohio State University



Assay Description
A recently reported time-resolved fluorescence assay [J. Biol. Chem. 287: 21189-21203] was used to quantify IN 3'-processing and strand transfer ...


Citation and Details
More data for this
Ligand-Target Pair
Gag-Pol polyprotein (Capsid Protein)


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM188497
PNG
(2-(6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-y...)
Show SMILES Cc1nc2ccc(Br)cc2c(-c2ccc(Cl)cc2)c1C(OC(C)(C)C)C(O)=O
Show InChI InChI=1/C22H21BrClNO3/c1-12-18(20(21(26)27)28-22(2,3)4)19(13-5-8-15(24)9-6-13)16-11-14(23)7-10-17(16)25-12/h5-11,20H,1-4H3,(H,26,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

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AffyNet 
Article
PubMed
n/an/a 180n/an/an/an/an/an/a



The Ohio State University



Assay Description
A recently reported time-resolved fluorescence assay [J. Biol. Chem. 287: 21189-21203] was used to quantify IN 3'-processing and strand transfer ...


Citation and Details
More data for this
Ligand-Target Pair
Gag-Pol polyprotein (Capsid Protein)


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM93213
PNG
(Benzimidazole Inhibitor, 6)
Show SMILES OC(=O)c1ccc(cc1)-c1ccc2n(CCCNC3CCCCC3)c(nc2c1)-c1c[nH]nc1-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C32H31Cl2N5O2/c33-26-13-11-23(17-27(26)34)30-25(19-36-38-30)31-37-28-18-22(20-7-9-21(10-8-20)32(40)41)12-14-29(28)39(31)16-4-15-35-24-5-2-1-3-6-24/h7-14,17-19,24,35H,1-6,15-16H2,(H,36,38)(H,40,41)
PDB
MMDB

UniProtKB/SwissProt

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GoogleScholar
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PC sid
UniChem

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Article
PubMed
n/an/a 350 500n/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd



Assay Description
In vitro capsid assembly assay (CAA) was used in a HTS to identify potential inhibitors of capsid assembly.


Citation and Details
More data for this
Ligand-Target Pair
Gag-Pol polyprotein (Capsid Protein)


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM50011132
PNG
(ALLINI-1 | CHEMBL3259891)
Show SMILES COC(C(O)=O)c1c(C)nc2ccc(Br)cc2c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H15BrClNO3/c1-10-16(18(25-2)19(23)24)17(11-3-6-13(21)7-4-11)14-9-12(20)5-8-15(14)22-10/h3-9,18H,1-2H3,(H,23,24)
PDB
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/a 400n/an/an/an/an/an/a



The Ohio State University



Assay Description
A recently reported time-resolved fluorescence assay [J. Biol. Chem. 287: 21189-21203] was used to quantify IN 3'-processing and strand transfer ...


Citation and Details
More data for this
Ligand-Target Pair
Gag-Pol polyprotein (Capsid Protein)


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM93212
PNG
(Benzimidazole Inhibitor, 5)
Show SMILES OC(=O)c1ccc(cc1)-c1ccc2n(CCCN3CCCCC3)c(nc2c1)-c1c[nH]nc1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C32H30F3N5O2/c33-32(34,35)25-12-9-22(10-13-25)29-26(20-36-38-29)30-37-27-19-24(21-5-7-23(8-6-21)31(41)42)11-14-28(27)40(30)18-4-17-39-15-2-1-3-16-39/h5-14,19-20H,1-4,15-18H2,(H,36,38)(H,41,42)
PDB
MMDB

UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 670n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd



Assay Description
In vitro capsid assembly assay (CAA) was used in a HTS to identify potential inhibitors of capsid assembly.


Citation and Details
More data for this
Ligand-Target Pair
Gag-Pol polyprotein (Capsid Protein)


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM93214
PNG
(Benzodiazepine Inhibitor, 7)
Show SMILES COCCN=CC1C(=O)N(C)c2ccc(cc2N(c2ccccc2)C1=O)C(F)(F)F
Show InChI InChI=1S/C21H20F3N3O3/c1-26-17-9-8-14(21(22,23)24)12-18(17)27(15-6-4-3-5-7-15)20(29)16(19(26)28)13-25-10-11-30-2/h3-9,12-13,16H,10-11H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 890n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd



Assay Description
In vitro capsid assembly assay (CAA) was used in a HTS to identify potential inhibitors of capsid assembly.


Citation and Details
More data for this
Ligand-Target Pair
Gag-Pol polyprotein (Capsid Protein)


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM50011132
PNG
(ALLINI-1 | CHEMBL3259891)
Show SMILES COC(C(O)=O)c1c(C)nc2ccc(Br)cc2c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H15BrClNO3/c1-10-16(18(25-2)19(23)24)17(11-3-6-13(21)7-4-11)14-9-12(20)5-8-15(14)22-10/h3-9,18H,1-2H3,(H,23,24)
PDB
MMDB

UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
PC cid
PC sid
PDB
UniChem

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AffyNet 
Article
PubMed
n/an/a 910n/an/an/an/an/an/a



The Ohio State University



Assay Description
A recently reported time-resolved fluorescence assay [J. Biol. Chem. 287: 21189-21203] was used to quantify IN 3'-processing and strand transfer ...


Citation and Details
More data for this
Ligand-Target Pair
Gag-Pol polyprotein (Capsid Protein)


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM93211
PNG
(Benzimidazole Inhibitor, 4)
Show SMILES OC(=O)c1ccc(cc1)-c1ccc2n(CCCn3ccnc3)c(nc2c1)-c1c[nH]nc1-c1cccc(Cl)c1
Show InChI InChI=1S/C29H23ClN6O2/c30-23-4-1-3-22(15-23)27-24(17-32-34-27)28-33-25-16-21(19-5-7-20(8-6-19)29(37)38)9-10-26(25)36(28)13-2-12-35-14-11-31-18-35/h1,3-11,14-18H,2,12-13H2,(H,32,34)(H,37,38)
PDB
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd



Assay Description
In vitro capsid assembly assay (CAA) was used in a HTS to identify potential inhibitors of capsid assembly.


Citation and Details
More data for this
Ligand-Target Pair
Gag-Pol polyprotein (Capsid Protein)


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM93209
PNG
(Benzimidazole Inhibitor, 2)
Show SMILES CN(C)CCCn1c(nc2cc(ccc12)-c1ccc(cc1)C(O)=O)-c1c[nH]nc1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C29H26F3N5O2/c1-36(2)14-3-15-37-25-13-10-21(18-4-6-20(7-5-18)28(38)39)16-24(25)34-27(37)23-17-33-35-26(23)19-8-11-22(12-9-19)29(30,31)32/h4-13,16-17H,3,14-15H2,1-2H3,(H,33,35)(H,38,39)
PDB
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UniProtKB/SwissProt

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GoogleScholar
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PC sid
UniChem

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Article
PubMed
n/an/a 1.20E+3 4.30E+3n/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd



Assay Description
In vitro capsid assembly assay (CAA) was used in a HTS to identify potential inhibitors of capsid assembly.


Citation and Details
More data for this
Ligand-Target Pair
Gag-Pol polyprotein (Capsid Protein)


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM93210
PNG
(Benzimidazole Inhibitor, 3)
Show SMILES OC(=O)c1ccc(cc1)-c1ccc2n(CCCn3ccnc3)c(nc2c1)-c1c[nH]nc1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C30H23F3N6O2/c31-30(32,33)23-9-6-20(7-10-23)27-24(17-35-37-27)28-36-25-16-22(19-2-4-21(5-3-19)29(40)41)8-11-26(25)39(28)14-1-13-38-15-12-34-18-38/h2-12,15-18H,1,13-14H2,(H,35,37)(H,40,41)
PDB
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UniProtKB/SwissProt

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PubMed
n/an/a 1.40E+3 8.00E+3n/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd



Assay Description
In vitro capsid assembly assay (CAA) was used in a HTS to identify potential inhibitors of capsid assembly.


Citation and Details
More data for this
Ligand-Target Pair
Gag-Pol polyprotein (Capsid Protein)


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM93208
PNG
(Benzimidazole Inhibitor, 1)
Show SMILES CN(C)CCCn1c(nc2cc(ccc12)-c1ccc(cc1)C(O)=O)-c1c[nH]nc1-c1ccccc1
Show InChI InChI=1S/C28H27N5O2/c1-32(2)15-6-16-33-25-14-13-22(19-9-11-21(12-10-19)28(34)35)17-24(25)30-27(33)23-18-29-31-26(23)20-7-4-3-5-8-20/h3-5,7-14,17-18H,6,15-16H2,1-2H3,(H,29,31)(H,34,35)
PDB
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UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/a 6.10E+3 4.30E+4n/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd



Assay Description
In vitro capsid assembly assay (CAA) was used in a HTS to identify potential inhibitors of capsid assembly.


Citation and Details
More data for this
Ligand-Target Pair