new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 159 hits with Last Name = 'brochu' and Initial = 'c'   
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
Replication protein E1


(Human papillomavirus type 11)
BDBM50137912
PNG
((Biphenyl-4-sulfinyl)-acetic acid | (Biphenyl-4-su...)
Show SMILES OC(=O)CS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C14H12O4S/c15-14(16)10-19(17,18)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H,15,16)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.00E+3n/an/an/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit in vitro ATPase activity of human papillomavirus (HPV6) E1 helicase


J Med Chem 47: 18-21 (2003)


Article DOI: 10.1021/jm034206x
BindingDB Entry DOI: 10.7270/Q23F4P2Q
More data for this
Ligand-Target Pair
Replication protein E1


(Human papillomavirus type 11)
BDBM50137910
PNG
(CHEMBL434551 | [3'-(naphthalene-1-yl-methylcarbamo...)
Show SMILES OC(=O)CS(=O)(=O)c1ccc(cc1)-c1cccc(c1)C(=O)NCc1cccc2ccccc12
Show InChI InChI=1S/C26H21NO5S/c28-25(29)17-33(31,32)23-13-11-18(12-14-23)20-7-4-8-21(15-20)26(30)27-16-22-9-3-6-19-5-1-2-10-24(19)22/h1-15H,16-17H2,(H,27,30)(H,28,29)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.30n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit in vitro ATPase activity of human papillomavirus (HPV6) E1 helicase


J Med Chem 47: 18-21 (2003)


Article DOI: 10.1021/jm034206x
BindingDB Entry DOI: 10.7270/Q23F4P2Q
More data for this
Ligand-Target Pair
Replication protein E1


(Human papillomavirus type 11)
BDBM50137910
PNG
(CHEMBL434551 | [3'-(naphthalene-1-yl-methylcarbamo...)
Show SMILES OC(=O)CS(=O)(=O)c1ccc(cc1)-c1cccc(c1)C(=O)NCc1cccc2ccccc12
Show InChI InChI=1S/C26H21NO5S/c28-25(29)17-33(31,32)23-13-11-18(12-14-23)20-7-4-8-21(15-20)26(30)27-16-22-9-3-6-19-5-1-2-10-24(19)22/h1-15H,16-17H2,(H,27,30)(H,28,29)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.30n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for human papillomavirus (HPV6) E1 helicase


J Med Chem 47: 18-21 (2003)


Article DOI: 10.1021/jm034206x
BindingDB Entry DOI: 10.7270/Q23F4P2Q
More data for this
Ligand-Target Pair
Replication protein E1


(Human papillomavirus type 11)
BDBM50137889
PNG
(CHEMBL176784 | [3'-(1-(R)-naphthalene-1-yl-ethylca...)
Show SMILES C[C@@H](NC(=O)c1cccc(c1)-c1ccc(cc1)S(=O)(=O)CC(O)=O)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C27H23NO5S/c1-18(24-11-5-7-20-6-2-3-10-25(20)24)28-27(31)22-9-4-8-21(16-22)19-12-14-23(15-13-19)34(32,33)17-26(29)30/h2-16,18H,17H2,1H3,(H,28,31)(H,29,30)/t18-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit in vitro ATPase activity of human papillomavirus (HPV6) E1 helicase


J Med Chem 47: 18-21 (2003)


Article DOI: 10.1021/jm034206x
BindingDB Entry DOI: 10.7270/Q23F4P2Q
More data for this
Ligand-Target Pair
Replication protein E1


(Human papillomavirus type 11)
BDBM50137901
PNG
(CHEMBL175099 | [3'-(2,3-dimethyl-benzylcarbamoyl)-...)
Show SMILES Cc1cccc(CNC(=O)c2cccc(c2)-c2ccc(cc2)S(=O)(=O)CC(O)=O)c1C
Show InChI InChI=1S/C24H23NO5S/c1-16-5-3-8-21(17(16)2)14-25-24(28)20-7-4-6-19(13-20)18-9-11-22(12-10-18)31(29,30)15-23(26)27/h3-13H,14-15H2,1-2H3,(H,25,28)(H,26,27)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.20n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit in vitro ATPase activity of human papillomavirus (HPV6) E1 helicase


J Med Chem 47: 18-21 (2003)


Article DOI: 10.1021/jm034206x
BindingDB Entry DOI: 10.7270/Q23F4P2Q
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50193054
PNG
(3-cyclohexyl-2-(furan-3-yl)-1-methyl-1H-indole-6-c...)
Show SMILES Cn1c(-c2ccoc2)c(C2CCCCC2)c2ccc(cc12)C(O)=O
Show InChI InChI=1S/C20H21NO3/c1-21-17-11-14(20(22)23)7-8-16(17)18(13-5-3-2-4-6-13)19(21)15-9-10-24-12-15/h7-13H,2-6H2,1H3,(H,22,23)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Boehringer Ingelheim

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA


Bioorg Med Chem Lett 16: 4987-93 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.07.074
BindingDB Entry DOI: 10.7270/Q27S7PJT
More data for this
Ligand-Target Pair
Replication protein E1


(Human papillomavirus type 11)
BDBM50137919
PNG
(CHEMBL174279 | [3'-((S)-Indan-1-ylcarbamoylmethyl)...)
Show SMILES OC(=O)CS(=O)(=O)c1ccc(cc1)-c1cccc(CC(=O)N[C@H]2CCc3ccccc23)c1
Show InChI InChI=1S/C25H23NO5S/c27-24(26-23-13-10-19-5-1-2-7-22(19)23)15-17-4-3-6-20(14-17)18-8-11-21(12-9-18)32(30,31)16-25(28)29/h1-9,11-12,14,23H,10,13,15-16H2,(H,26,27)(H,28,29)/t23-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit in vitro ATPase activity of human papillomavirus (HPV6) E1 helicase


J Med Chem 47: 18-21 (2003)


Article DOI: 10.1021/jm034206x
BindingDB Entry DOI: 10.7270/Q23F4P2Q
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50193050
PNG
(3-cyclopentyl-2-(furan-3-yl)-1-methyl-1H-indole-6-...)
Show SMILES Cn1c(-c2ccoc2)c(C2CCCC2)c2ccc(cc12)C(O)=O
Show InChI InChI=1S/C19H19NO3/c1-20-16-10-13(19(21)22)6-7-15(16)17(12-4-2-3-5-12)18(20)14-8-9-23-11-14/h6-12H,2-5H2,1H3,(H,21,22)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Boehringer Ingelheim

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA


Bioorg Med Chem Lett 16: 4987-93 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.07.074
BindingDB Entry DOI: 10.7270/Q27S7PJT
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50005004
PNG
(CHEMBL2397309)
Show SMILES CO[C@H]1CC[C@H](CC1)C(=O)Nc1nc(C)c(s1)-c1ccc(N)nc1 |r,wU:5.8,2.1,(18.48,-29.12,;17.85,-27.71,;16.32,-27.55,;15.42,-28.8,;13.89,-28.64,;13.26,-27.23,;14.16,-25.98,;15.69,-26.14,;11.73,-27.08,;10.83,-28.32,;11.1,-25.67,;9.57,-25.52,;8.79,-24.19,;7.29,-24.51,;6.14,-23.48,;7.13,-26.04,;8.54,-26.66,;5.8,-26.81,;4.46,-26.05,;3.13,-26.82,;3.13,-28.36,;1.8,-29.13,;4.46,-29.13,;5.8,-28.36,)|
Show InChI InChI=1S/C17H22N4O2S/c1-10-15(12-5-8-14(18)19-9-12)24-17(20-10)21-16(22)11-3-6-13(23-2)7-4-11/h5,8-9,11,13H,3-4,6-7H2,1-2H3,(H2,18,19)(H,20,21,22)/t11-,13+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI4K3beta (unknown origin)


Bioorg Med Chem Lett 23: 3841-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.077
BindingDB Entry DOI: 10.7270/Q2BG2QCX
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50193059
PNG
(3-cyclopentyl-2-(furan-3-yl)-1H-indole-6-carboxyli...)
Show SMILES OC(=O)c1ccc2c(C3CCCC3)c([nH]c2c1)-c1ccoc1
Show InChI InChI=1S/C18H17NO3/c20-18(21)12-5-6-14-15(9-12)19-17(13-7-8-22-10-13)16(14)11-3-1-2-4-11/h5-11,19H,1-4H2,(H,20,21)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Boehringer Ingelheim

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA


Bioorg Med Chem Lett 16: 4987-93 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.07.074
BindingDB Entry DOI: 10.7270/Q27S7PJT
More data for this
Ligand-Target Pair
Replication protein E1


(Human papillomavirus type 11)
BDBM50137899
PNG
(CHEMBL175280 | [3'-(3-methyl-benzylcarbamoyl)-biph...)
Show SMILES Cc1cccc(CNC(=O)c2cccc(c2)-c2ccc(cc2)S(=O)(=O)CC(O)=O)c1
Show InChI InChI=1S/C23H21NO5S/c1-16-4-2-5-17(12-16)14-24-23(27)20-7-3-6-19(13-20)18-8-10-21(11-9-18)30(28,29)15-22(25)26/h2-13H,14-15H2,1H3,(H,24,27)(H,25,26)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 27n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit in vitro ATPase activity of human papillomavirus (HPV6) E1 helicase


J Med Chem 47: 18-21 (2003)


Article DOI: 10.1021/jm034206x
BindingDB Entry DOI: 10.7270/Q23F4P2Q
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50011004
PNG
(CHEMBL3259893)
Show SMILES CO[C@H](C(O)=O)c1c(C)nc2ccc(Br)cc2c1-c1ccc(Cl)cc1 |r|
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)/t18-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

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

Patents

PDB
Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase by LTR cleavage assay


ACS Med Chem Lett 5: 422-7 (2014)


Article DOI: 10.1021/ml500002n
BindingDB Entry DOI: 10.7270/Q2K64KMK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50193060
PNG
(3-cyclohexyl-2-(furan-3-yl)-1H-indole-6-carboxylic...)
Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c([nH]c2c1)-c1ccoc1
Show InChI InChI=1S/C19H19NO3/c21-19(22)13-6-7-15-16(10-13)20-18(14-8-9-23-11-14)17(15)12-4-2-1-3-5-12/h6-12,20H,1-5H2,(H,21,22)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Boehringer Ingelheim

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA


Bioorg Med Chem Lett 16: 4987-93 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.07.074
BindingDB Entry DOI: 10.7270/Q27S7PJT
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50162092
PNG
(3-Cyclohexyl-1-methyl-2-phenyl-1H-indole-6-carboxy...)
Show SMILES Cn1c(c(C2CCCCC2)c2ccc(cc12)C(O)=O)-c1ccccc1
Show InChI InChI=1S/C22H23NO2/c1-23-19-14-17(22(24)25)12-13-18(19)20(15-8-4-2-5-9-15)21(23)16-10-6-3-7-11-16/h3,6-7,10-15H,2,4-5,8-9H2,1H3,(H,24,25)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Boehringer Ingelheim

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA


Bioorg Med Chem Lett 16: 4987-93 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.07.074
BindingDB Entry DOI: 10.7270/Q27S7PJT
More data for this
Ligand-Target Pair
Replication protein E1


(Human papillomavirus type 11)
BDBM50137891
PNG
(CHEMBL368080 | [3'-(2-methyl-benzylcarbamoyl)-biph...)
Show SMILES Cc1ccccc1CNC(=O)c1cccc(c1)-c1ccc(cc1)S(=O)(=O)CC(O)=O
Show InChI InChI=1S/C23H21NO5S/c1-16-5-2-3-6-20(16)14-24-23(27)19-8-4-7-18(13-19)17-9-11-21(12-10-17)30(28,29)15-22(25)26/h2-13H,14-15H2,1H3,(H,24,27)(H,25,26)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit in vitro ATPase activity of human papillomavirus (HPV6) E1 helicase


J Med Chem 47: 18-21 (2003)


Article DOI: 10.1021/jm034206x
BindingDB Entry DOI: 10.7270/Q23F4P2Q
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50005008
PNG
(CHEMBL2397312)
Show SMILES CC(CC(F)(F)F)C(=O)Nc1nc(C)c(s1)-c1ccc(N)nc1
Show InChI InChI=1S/C14H15F3N4OS/c1-7(5-14(15,16)17)12(22)21-13-20-8(2)11(23-13)9-3-4-10(18)19-6-9/h3-4,6-7H,5H2,1-2H3,(H2,18,19)(H,20,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI4K3beta (unknown origin)


Bioorg Med Chem Lett 23: 3841-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.077
BindingDB Entry DOI: 10.7270/Q2BG2QCX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50005009
PNG
(CHEMBL2397311)
Show SMILES Cc1nc(NC(=O)C2(C)CCCCC2)sc1-c1ccc(N)nc1
Show InChI InChI=1S/C17H22N4OS/c1-11-14(12-6-7-13(18)19-10-12)23-16(20-11)21-15(22)17(2)8-4-3-5-9-17/h6-7,10H,3-5,8-9H2,1-2H3,(H2,18,19)(H,20,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI4K3beta (unknown origin)


Bioorg Med Chem Lett 23: 3841-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.077
BindingDB Entry DOI: 10.7270/Q2BG2QCX
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
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/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase by LTR cleavage assay


ACS Med Chem Lett 5: 422-7 (2014)


Article DOI: 10.1021/ml500002n
BindingDB Entry DOI: 10.7270/Q2K64KMK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Replication protein E1


(Human papillomavirus type 11)
BDBM50137925
PNG
(CHEMBL368100 | [3'-((R)-1-Phenyl-ethylcarbamoyl)-b...)
Show SMILES C[C@@H](NC(=O)c1cccc(c1)-c1ccc(cc1)S(=O)(=O)CC(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C23H21NO5S/c1-16(17-6-3-2-4-7-17)24-23(27)20-9-5-8-19(14-20)18-10-12-21(13-11-18)30(28,29)15-22(25)26/h2-14,16H,15H2,1H3,(H,24,27)(H,25,26)/t16-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 43n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit in vitro ATPase activity of human papillomavirus (HPV6) E1 helicase


J Med Chem 47: 18-21 (2003)


Article DOI: 10.1021/jm034206x
BindingDB Entry DOI: 10.7270/Q23F4P2Q
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50193057
PNG
(1-cyclohexyl-2-(furan-3-yl)-3-methyl-1H-indole-5-c...)
Show SMILES Cc1c(-c2ccoc2)n(C2CCCCC2)c2ccc(cc12)C(O)=O
Show InChI InChI=1S/C20H21NO3/c1-13-17-11-14(20(22)23)7-8-18(17)21(16-5-3-2-4-6-16)19(13)15-9-10-24-12-15/h7-12,16H,2-6H2,1H3,(H,22,23)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 44n/an/an/an/an/an/a



Boehringer Ingelheim

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA


Bioorg Med Chem Lett 16: 4987-93 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.07.074
BindingDB Entry DOI: 10.7270/Q27S7PJT
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50436476
PNG
(CHEMBL2397316)
Show SMILES Cc1nc(NC(=O)C(C)(C)CC(F)(F)F)sc1-c1ccc(N)nc1
Show InChI InChI=1S/C15H17F3N4OS/c1-8-11(9-4-5-10(19)20-6-9)24-13(21-8)22-12(23)14(2,3)7-15(16,17)18/h4-6H,7H2,1-3H3,(H2,19,20)(H,21,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 48n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI4K3beta (unknown origin)


Bioorg Med Chem Lett 23: 3841-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.077
BindingDB Entry DOI: 10.7270/Q2BG2QCX
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50162094
PNG
(3-Cyclohexyl-2-phenyl-1H-indole-6-carboxylic acid ...)
Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c([nH]c2c1)-c1ccccc1
Show InChI InChI=1S/C21H21NO2/c23-21(24)16-11-12-17-18(13-16)22-20(15-9-5-2-6-10-15)19(17)14-7-3-1-4-8-14/h2,5-6,9-14,22H,1,3-4,7-8H2,(H,23,24)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Boehringer Ingelheim

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA


Bioorg Med Chem Lett 16: 4987-93 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.07.074
BindingDB Entry DOI: 10.7270/Q27S7PJT
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50193069
PNG
(3-cyclohexyl-2-(furan-3-yl)-1-methyl-1H-pyrrolo[2,...)
Show SMILES Cn1c(-c2ccoc2)c(C2CCCCC2)c2ccc(nc12)C(O)=O
Show InChI InChI=1S/C19H20N2O3/c1-21-17(13-9-10-24-11-13)16(12-5-3-2-4-6-12)14-7-8-15(19(22)23)20-18(14)21/h7-12H,2-6H2,1H3,(H,22,23)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 51n/an/an/an/an/an/a



Boehringer Ingelheim

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA


Bioorg Med Chem Lett 16: 4987-93 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.07.074
BindingDB Entry DOI: 10.7270/Q27S7PJT
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50436477
PNG
(CHEMBL2397315)
Show SMILES C[C@@H](CC(F)(F)F)C(=O)Nc1nc(C)c(s1)-c1ccc(N)nc1 |r|
Show InChI InChI=1S/C14H15F3N4OS/c1-7(5-14(15,16)17)12(22)21-13-20-8(2)11(23-13)9-3-4-10(18)19-6-9/h3-4,6-7H,5H2,1-2H3,(H2,18,19)(H,20,21,22)/t7-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 53n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI4K3beta (unknown origin)


Bioorg Med Chem Lett 23: 3841-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.077
BindingDB Entry DOI: 10.7270/Q2BG2QCX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50005007
PNG
(CHEMBL2397310)
Show SMILES Cc1nc(NC(=O)[C@H]2CC[C@H](CC2)C(F)(F)F)sc1-c1ccc(N)nc1 |r,wU:7.6,10.13,(28.23,-22.96,;29.38,-23.98,;30.89,-23.66,;31.66,-24.99,;33.2,-25.14,;33.83,-26.55,;32.93,-27.8,;35.36,-26.7,;36.25,-25.45,;37.79,-25.61,;38.42,-27.02,;37.51,-28.27,;35.99,-28.11,;39.95,-27.18,;40.58,-28.59,;40.86,-25.94,;41.49,-27.18,;30.64,-26.14,;29.23,-25.51,;27.89,-26.28,;26.56,-25.52,;25.23,-26.29,;25.23,-27.83,;23.89,-28.6,;26.56,-28.6,;27.9,-27.83,)|
Show InChI InChI=1S/C17H19F3N4OS/c1-9-14(11-4-7-13(21)22-8-11)26-16(23-9)24-15(25)10-2-5-12(6-3-10)17(18,19)20/h4,7-8,10,12H,2-3,5-6H2,1H3,(H2,21,22)(H,23,24,25)/t10-,12+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 53n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI4K3beta (unknown origin)


Bioorg Med Chem Lett 23: 3841-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.077
BindingDB Entry DOI: 10.7270/Q2BG2QCX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50005010
PNG
(CHEMBL2397313)
Show SMILES Cc1nc(NC(=O)Cc2nc(c(C)o2)-c2ccccc2)sc1-c1ccc(N)nc1
Show InChI InChI=1S/C21H19N5O2S/c1-12-20(15-8-9-16(22)23-11-15)29-21(24-12)25-17(27)10-18-26-19(13(2)28-18)14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3,(H2,22,23)(H,24,25,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 67n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI4K3beta (unknown origin)


Bioorg Med Chem Lett 23: 3841-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.077
BindingDB Entry DOI: 10.7270/Q2BG2QCX
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50193063
PNG
(3-cyclopentyl-2-(furan-3-yl)-7-hydroxy-1-methyl-1H...)
Show SMILES Cn1c(-c2ccoc2)c(C2CCCC2)c2ccc(C(O)=O)c(O)c12
Show InChI InChI=1S/C19H19NO4/c1-20-16(12-8-9-24-10-12)15(11-4-2-3-5-11)13-6-7-14(19(22)23)18(21)17(13)20/h6-11,21H,2-5H2,1H3,(H,22,23)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 75n/an/an/an/an/an/a



Boehringer Ingelheim

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA


Bioorg Med Chem Lett 16: 4987-93 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.07.074
BindingDB Entry DOI: 10.7270/Q27S7PJT
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50011131
PNG
(CHEMBL3259890)
Show SMILES CCCC(C(O)=O)c1c(C)nc2ccc(Br)cc2c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H19BrClNO2/c1-3-4-16(21(25)26)19-12(2)24-18-10-7-14(22)11-17(18)20(19)13-5-8-15(23)9-6-13/h5-11,16H,3-4H2,1-2H3,(H,25,26)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 77n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase by LTR cleavage assay


ACS Med Chem Lett 5: 422-7 (2014)


Article DOI: 10.1021/ml500002n
BindingDB Entry DOI: 10.7270/Q2K64KMK
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50193055
PNG
(3-cyclopentyl-2-(furan-3-yl)benzo[b]thiophene-6-ca...)
Show SMILES OC(=O)c1ccc2c(C3CCCC3)c(sc2c1)-c1ccoc1
Show InChI InChI=1S/C18H16O3S/c19-18(20)12-5-6-14-15(9-12)22-17(13-7-8-21-10-13)16(14)11-3-1-2-4-11/h5-11H,1-4H2,(H,19,20)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 78n/an/an/an/an/an/a



Boehringer Ingelheim

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA


Bioorg Med Chem Lett 16: 4987-93 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.07.074
BindingDB Entry DOI: 10.7270/Q27S7PJT
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50193052
PNG
(3-cyclohexyl-1-methyl-2-phenyl-1H-pyrrolo[2,3-b]py...)
Show SMILES Cn1c(c(C2CCCCC2)c2ccc(nc12)C(O)=O)-c1ccccc1
Show InChI InChI=1S/C21H22N2O2/c1-23-19(15-10-6-3-7-11-15)18(14-8-4-2-5-9-14)16-12-13-17(21(24)25)22-20(16)23/h3,6-7,10-14H,2,4-5,8-9H2,1H3,(H,24,25)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Boehringer Ingelheim

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA


Bioorg Med Chem Lett 16: 4987-93 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.07.074
BindingDB Entry DOI: 10.7270/Q27S7PJT
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50193064
PNG
(3-cyclopentyl-2-(furan-3-yl)benzofuran-6-carboxyli...)
Show SMILES OC(=O)c1ccc2c(C3CCCC3)c(oc2c1)-c1ccoc1
Show InChI InChI=1S/C18H16O4/c19-18(20)12-5-6-14-15(9-12)22-17(13-7-8-21-10-13)16(14)11-3-1-2-4-11/h5-11H,1-4H2,(H,19,20)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 81n/an/an/an/an/an/a



Boehringer Ingelheim

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA


Bioorg Med Chem Lett 16: 4987-93 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.07.074
BindingDB Entry DOI: 10.7270/Q27S7PJT
More data for this
Ligand-Target Pair
Replication protein E1


(Human papillomavirus type 11)
BDBM50137928
PNG
(CHEMBL172893 | {3'-[((S)-1-Phenyl-ethylcarbamoyl)-...)
Show SMILES C[C@H](NC(=O)Cc1cccc(c1)-c1ccc(cc1)S(=O)(=O)CC(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C24H23NO5S/c1-17(19-7-3-2-4-8-19)25-23(26)15-18-6-5-9-21(14-18)20-10-12-22(13-11-20)31(29,30)16-24(27)28/h2-14,17H,15-16H2,1H3,(H,25,26)(H,27,28)/t17-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 87n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit in vitro ATPase activity of human papillomavirus (HPV6) E1 helicase


J Med Chem 47: 18-21 (2003)


Article DOI: 10.1021/jm034206x
BindingDB Entry DOI: 10.7270/Q23F4P2Q
More data for this
Ligand-Target Pair
Replication protein E1


(Human papillomavirus type 11)
BDBM50137921
PNG
((3'-Benzylcarbamoyl-biphenyl-4-sulfonyl)-acetic ac...)
Show SMILES OC(=O)CS(=O)(=O)c1ccc(cc1)-c1cccc(c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C22H19NO5S/c24-21(25)15-29(27,28)20-11-9-17(10-12-20)18-7-4-8-19(13-18)22(26)23-14-16-5-2-1-3-6-16/h1-13H,14-15H2,(H,23,26)(H,24,25)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 87n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit in vitro ATPase activity of human papillomavirus (HPV6) E1 helicase


J Med Chem 47: 18-21 (2003)


Article DOI: 10.1021/jm034206x
BindingDB Entry DOI: 10.7270/Q23F4P2Q
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50193062
PNG
(3-cyclohexyl-1-methyl-2-(pyridin-2-yl)-1H-indole-6...)
Show SMILES Cn1c(c(C2CCCCC2)c2ccc(cc12)C(O)=O)-c1ccccn1
Show InChI InChI=1S/C21H22N2O2/c1-23-18-13-15(21(24)25)10-11-16(18)19(14-7-3-2-4-8-14)20(23)17-9-5-6-12-22-17/h5-6,9-14H,2-4,7-8H2,1H3,(H,24,25)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 90n/an/an/an/an/an/a



Boehringer Ingelheim

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA


Bioorg Med Chem Lett 16: 4987-93 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.07.074
BindingDB Entry DOI: 10.7270/Q27S7PJT
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50005011
PNG
(CHEMBL2397303)
Show SMILES Nc1ccc(cc1)-c1cnc(NC(=O)CN(Cc2ccccc2)C(=O)c2ccncc2)s1
Show InChI InChI=1S/C24H21N5O2S/c25-20-8-6-18(7-9-20)21-14-27-24(32-21)28-22(30)16-29(15-17-4-2-1-3-5-17)23(31)19-10-12-26-13-11-19/h1-14H,15-16,25H2,(H,27,28,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI4K3beta (unknown origin)


Bioorg Med Chem Lett 23: 3841-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.077
BindingDB Entry DOI: 10.7270/Q2BG2QCX
More data for this
Ligand-Target Pair
Replication protein E1


(Human papillomavirus type 11)
BDBM50137897
PNG
((3'-Phenylcarbamoylmethyl-biphenyl-4-sulfonyl)-ace...)
Show SMILES OC(=O)CS(=O)(=O)c1ccc(cc1)-c1cccc(CC(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C22H19NO5S/c24-21(23-19-7-2-1-3-8-19)14-16-5-4-6-18(13-16)17-9-11-20(12-10-17)29(27,28)15-22(25)26/h1-13H,14-15H2,(H,23,24)(H,25,26)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit in vitro ATPase activity of human papillomavirus (HPV6) E1 helicase


J Med Chem 47: 18-21 (2003)


Article DOI: 10.1021/jm034206x
BindingDB Entry DOI: 10.7270/Q23F4P2Q
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50005005
PNG
(CHEMBL2397317)
Show SMILES COc1ccc(cc1OC)-c1c(C)nn2c(NCCN3CCOCC3)cc(C)nc12
Show InChI InChI=1S/C22H29N5O3/c1-15-13-20(23-7-8-26-9-11-30-12-10-26)27-22(24-15)21(16(2)25-27)17-5-6-18(28-3)19(14-17)29-4/h5-6,13-14,23H,7-12H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 137n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI4K3beta (unknown origin)


Bioorg Med Chem Lett 23: 3841-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.077
BindingDB Entry DOI: 10.7270/Q2BG2QCX
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50370756
PNG
(CHEMBL1789968)
Show SMILES Cc1c(-c2ccoc2)n(C2CCCC2)c2cc(ccc12)C(O)=O
Show InChI InChI=1S/C19H19NO3/c1-12-16-7-6-13(19(21)22)10-17(16)20(15-4-2-3-5-15)18(12)14-8-9-23-11-14/h6-11,15H,2-5H2,1H3,(H,21,22)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Boehringer Ingelheim

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA


Bioorg Med Chem Lett 16: 4987-93 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.07.074
BindingDB Entry DOI: 10.7270/Q27S7PJT
More data for this
Ligand-Target Pair
Replication protein E1


(Human papillomavirus type 11)
BDBM50137917
PNG
((4'-Phenylcarbamoylmethyl-biphenyl-4-sulfonyl)-ace...)
Show SMILES OC(=O)CS(=O)(=O)c1ccc(cc1)-c1ccc(CC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C22H19NO5S/c24-21(23-19-4-2-1-3-5-19)14-16-6-8-17(9-7-16)18-10-12-20(13-11-18)29(27,28)15-22(25)26/h1-13H,14-15H2,(H,23,24)(H,25,26)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 160n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit in vitro ATPase activity of human papillomavirus (HPV6) E1 helicase


J Med Chem 47: 18-21 (2003)


Article DOI: 10.1021/jm034206x
BindingDB Entry DOI: 10.7270/Q23F4P2Q
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50193053
PNG
(1-cyclohexyl-3-methyl-2-phenyl-1H-indole-5-carboxy...)
Show SMILES Cc1c(-c2ccccc2)n(C2CCCCC2)c2ccc(cc12)C(O)=O
Show InChI InChI=1S/C22H23NO2/c1-15-19-14-17(22(24)25)12-13-20(19)23(18-10-6-3-7-11-18)21(15)16-8-4-2-5-9-16/h2,4-5,8-9,12-14,18H,3,6-7,10-11H2,1H3,(H,24,25)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



Boehringer Ingelheim

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA


Bioorg Med Chem Lett 16: 4987-93 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.07.074
BindingDB Entry DOI: 10.7270/Q27S7PJT
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50436478
PNG
(CHEMBL2397314)
Show SMILES C[C@H](CC(F)(F)F)C(=O)Nc1nc(C)c(s1)-c1ccc(N)nc1 |r|
Show InChI InChI=1S/C14H15F3N4OS/c1-7(5-14(15,16)17)12(22)21-13-20-8(2)11(23-13)9-3-4-10(18)19-6-9/h3-4,6-7H,5H2,1-2H3,(H2,18,19)(H,20,21,22)/t7-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 225n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI4K3beta (unknown origin)


Bioorg Med Chem Lett 23: 3841-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.077
BindingDB Entry DOI: 10.7270/Q2BG2QCX
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50193067
PNG
(3-cyclohexyl-2-(pyridin-2-yl)-1H-indole-6-carboxyl...)
Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c([nH]c2c1)-c1ccccn1
Show InChI InChI=1S/C20H20N2O2/c23-20(24)14-9-10-15-17(12-14)22-19(16-8-4-5-11-21-16)18(15)13-6-2-1-3-7-13/h4-5,8-13,22H,1-3,6-7H2,(H,23,24)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 230n/an/an/an/an/an/a



Boehringer Ingelheim

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA


Bioorg Med Chem Lett 16: 4987-93 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.07.074
BindingDB Entry DOI: 10.7270/Q27S7PJT
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50011044
PNG
(CHEMBL3259887)
Show SMILES Cc1nc2ccc(Br)cc2c(-c2ccc(Cl)cc2)c1CC(O)=O
Show InChI InChI=1S/C18H13BrClNO2/c1-10-14(9-17(22)23)18(11-2-5-13(20)6-3-11)15-8-12(19)4-7-16(15)21-10/h2-8H,9H2,1H3,(H,22,23)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 270n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase by LTR cleavage assay


ACS Med Chem Lett 5: 422-7 (2014)


Article DOI: 10.1021/ml500002n
BindingDB Entry DOI: 10.7270/Q2K64KMK
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50193051
PNG
(7-chloro-3-cyclopentyl-2-(furan-3-yl)-1-methyl-1H-...)
Show SMILES Cn1c(-c2ccoc2)c(C2CCCC2)c2ccc(C(O)=O)c(Cl)c12
Show InChI InChI=1S/C19H18ClNO3/c1-21-17(12-8-9-24-10-12)15(11-4-2-3-5-11)13-6-7-14(19(22)23)16(20)18(13)21/h6-11H,2-5H2,1H3,(H,22,23)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 290n/an/an/an/an/an/a



Boehringer Ingelheim

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA


Bioorg Med Chem Lett 16: 4987-93 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.07.074
BindingDB Entry DOI: 10.7270/Q27S7PJT
More data for this
Ligand-Target Pair
Replication protein E1


(Human papillomavirus type 11)
BDBM50137883
PNG
(CHEMBL368567 | [3'-(Benzylcarbamoyl-methyl)-biphen...)
Show SMILES OC(=O)CS(=O)(=O)c1ccc(cc1)-c1cccc(CC(=O)NCc2ccccc2)c1
Show InChI InChI=1S/C23H21NO5S/c25-22(24-15-17-5-2-1-3-6-17)14-18-7-4-8-20(13-18)19-9-11-21(12-10-19)30(28,29)16-23(26)27/h1-13H,14-16H2,(H,24,25)(H,26,27)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit in vitro ATPase activity of human papillomavirus (HPV6) E1 helicase


J Med Chem 47: 18-21 (2003)


Article DOI: 10.1021/jm034206x
BindingDB Entry DOI: 10.7270/Q23F4P2Q
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50011130
PNG
(CHEMBL3259889)
Show SMILES CC(C(O)=O)c1c(C)nc2ccc(Br)cc2c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H15BrClNO2/c1-10(19(23)24)17-11(2)22-16-8-5-13(20)9-15(16)18(17)12-3-6-14(21)7-4-12/h3-10H,1-2H3,(H,23,24)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 310n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase by LTR cleavage assay


ACS Med Chem Lett 5: 422-7 (2014)


Article DOI: 10.1021/ml500002n
BindingDB Entry DOI: 10.7270/Q2K64KMK
More data for this
Ligand-Target Pair
Replication protein E1


(Human papillomavirus type 11)
BDBM50137886
PNG
(CHEMBL175036 | {3'-[((R)-1-Phenyl-ethylcarbamoyl)-...)
Show SMILES C[C@@H](NC(=O)Cc1cccc(c1)-c1ccc(cc1)S(=O)(=O)CC(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C24H23NO5S/c1-17(19-7-3-2-4-8-19)25-23(26)15-18-6-5-9-21(14-18)20-10-12-22(13-11-20)31(29,30)16-24(27)28/h2-14,17H,15-16H2,1H3,(H,25,26)(H,27,28)/t17-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 320n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit in vitro ATPase activity of human papillomavirus (HPV6) E1 helicase


J Med Chem 47: 18-21 (2003)


Article DOI: 10.1021/jm034206x
BindingDB Entry DOI: 10.7270/Q23F4P2Q
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50193066
PNG
(3-cyclopentyl-2-(furan-3-yl)-7-methoxy-1-methyl-1H...)
Show SMILES COc1c(ccc2c(C3CCCC3)c(-c3ccoc3)n(C)c12)C(O)=O
Show InChI InChI=1S/C20H21NO4/c1-21-17(13-9-10-25-11-13)16(12-5-3-4-6-12)14-7-8-15(20(22)23)19(24-2)18(14)21/h7-12H,3-6H2,1-2H3,(H,22,23)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 340n/an/an/an/an/an/a



Boehringer Ingelheim

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA


Bioorg Med Chem Lett 16: 4987-93 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.07.074
BindingDB Entry DOI: 10.7270/Q27S7PJT
More data for this
Ligand-Target Pair
Replication protein E1


(Human papillomavirus type 11)
BDBM50137898
PNG
((4'-Benzylcarbamoylmethyl-biphenyl-4-sulfonyl)-ace...)
Show SMILES OC(=O)CS(=O)(=O)c1ccc(cc1)-c1ccc(CC(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C23H21NO5S/c25-22(24-15-18-4-2-1-3-5-18)14-17-6-8-19(9-7-17)20-10-12-21(13-11-20)30(28,29)16-23(26)27/h1-13H,14-16H2,(H,24,25)(H,26,27)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 340n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit in vitro ATPase activity of human papillomavirus (HPV6) E1 helicase


J Med Chem 47: 18-21 (2003)


Article DOI: 10.1021/jm034206x
BindingDB Entry DOI: 10.7270/Q23F4P2Q
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50011043
PNG
(CHEMBL3259886)
Show SMILES Cc1ccc(cc1)-c1c(CC(O)=O)c(C)nc2ccc(Br)cc12
Show InChI InChI=1S/C19H16BrNO2/c1-11-3-5-13(6-4-11)19-15(10-18(22)23)12(2)21-17-8-7-14(20)9-16(17)19/h3-9H,10H2,1-2H3,(H,22,23)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 350n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase by LTR cleavage assay


ACS Med Chem Lett 5: 422-7 (2014)


Article DOI: 10.1021/ml500002n
BindingDB Entry DOI: 10.7270/Q2K64KMK
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 159 total )  |  Next  |  Last  >>
Jump to: