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

Found 100 hits with Last Name = 'suchaud' and Initial = 'v'   
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)
BDBM50017364
PNG
(CHEMBL3288273)
Show SMILES COc1ccc2c(C(=O)NCc3ccc(F)cc3)c(O)n(O)c(=O)c2c1
Show InChI InChI=1S/C18H15FN2O5/c1-26-12-6-7-13-14(8-12)17(23)21(25)18(24)15(13)16(22)20-9-10-2-4-11(19)5-3-10/h2-8,24-25H,9H2,1H3,(H,20,22)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 overall integrase activity using 5'-digoxigenin-labeled GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCAGT-3' as substrate after 1 hr by ELISA


J Med Chem 57: 4640-60 (2014)


Article DOI: 10.1021/jm500109z
BindingDB Entry DOI: 10.7270/Q2TQ6335
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM25351
PNG
(N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydr...)
Show SMILES Cc1nnc(o1)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
Show InChI InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 overall integrase activity using 5'-digoxigenin-labeled GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCAGT-3' as substrate after 1 hr by ELISA


J Med Chem 57: 4640-60 (2014)


Article DOI: 10.1021/jm500109z
BindingDB Entry DOI: 10.7270/Q2TQ6335
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50017362
PNG
(CHEMBL3288268)
Show SMILES COc1ccc(CNC(=O)c2c(O)n(O)c(=O)c3cc(ccc23)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H15N3O7/c1-28-12-5-2-10(3-6-12)9-19-16(22)15-13-7-4-11(21(26)27)8-14(13)17(23)20(25)18(15)24/h2-8,24-25H,9H2,1H3,(H,19,22)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 overall integrase activity using 5'-digoxigenin-labeled GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCAGT-3' as substrate after 1 hr by ELISA


J Med Chem 57: 4640-60 (2014)


Article DOI: 10.1021/jm500109z
BindingDB Entry DOI: 10.7270/Q2TQ6335
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50017359
PNG
(CHEMBL3288265)
Show SMILES Oc1c(C(=O)NCc2ccccc2)c2ccc(cc2c(=O)n1O)[N+]([O-])=O
Show InChI InChI=1S/C17H13N3O6/c21-15(18-9-10-4-2-1-3-5-10)14-12-7-6-11(20(25)26)8-13(12)16(22)19(24)17(14)23/h1-8,23-24H,9H2,(H,18,21)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 overall integrase activity using 5'-digoxigenin-labeled GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCAGT-3' as substrate after 1 hr by ELISA


J Med Chem 57: 4640-60 (2014)


Article DOI: 10.1021/jm500109z
BindingDB Entry DOI: 10.7270/Q2TQ6335
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50017358
PNG
(CHEMBL3286416)
Show SMILES Oc1c(C(=O)Nc2ccccc2)c2ccc(cc2c(=O)n1O)[N+]([O-])=O
Show InChI InChI=1S/C16H11N3O6/c20-14(17-9-4-2-1-3-5-9)13-11-7-6-10(19(24)25)8-12(11)15(21)18(23)16(13)22/h1-8,22-23H,(H,17,20)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 overall integrase activity using 5'-digoxigenin-labeled GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCAGT-3' as substrate after 1 hr by ELISA


J Med Chem 57: 4640-60 (2014)


Article DOI: 10.1021/jm500109z
BindingDB Entry DOI: 10.7270/Q2TQ6335
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50121975
PNG
((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...)
Show SMILES COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |r,THB:20:19:12.13:16.15,10:12:18.19:16.15|
Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents

PDB
PubMed
n/an/a 17n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2D6 using MFC as substrate incubated for 40 mins by fluorimetry


Eur J Med Chem 117: 256-68 (2016)


BindingDB Entry DOI: 10.7270/Q22V2J1P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50410855
PNG
(CIN-QUIN | QUINIDEX | QUINIDINE SULFATE)
Show SMILES COc1ccc2nccc([C@H](O)[C@H]3CC4CCN3C[C@@H]4C=C)c2c1 |r,TLB:20:19:12.13:16.15|
Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14?,19+,20-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of recombinant CYP2D6 (unknown origin) using 7-methoxy-4-trifluoromethylcoumarin as substrate


J Med Chem 57: 4640-60 (2014)


Article DOI: 10.1021/jm500109z
BindingDB Entry DOI: 10.7270/Q2TQ6335
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50017350
PNG
(CHEMBL3288281)
Show SMILES ON1C(=O)C(C(=O)NCc2ccc(F)cc2)c2ccc(cc2C1=O)C(F)(F)F
Show InChI InChI=1S/C18H12F4N2O4/c19-11-4-1-9(2-5-11)8-23-15(25)14-12-6-3-10(18(20,21)22)7-13(12)16(26)24(28)17(14)27/h1-7,14,28H,8H2,(H,23,25)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 overall integrase activity using 5'-digoxigenin-labeled GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCAGT-3' as substrate after 1 hr by ELISA


J Med Chem 57: 4640-60 (2014)


Article DOI: 10.1021/jm500109z
BindingDB Entry DOI: 10.7270/Q2TQ6335
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50055958
PNG
(CHEMBL3326555)
Show SMILES [O-][N+](=O)c1cc2[nH]ncc2c2c1ncc1ccccc21
Show InChI InChI=1S/C14H8N4O2/c19-18(20)12-5-11-10(7-16-17-11)13-9-4-2-1-3-8(9)6-15-14(12)13/h1-7H,(H,16,17)
KEGG

UniProtKB/SwissProt

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



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of full-length human PIM3 using RSRHSSYPAGT as substrate assessed as residual kinase activity after 30 mins in presence of [gamma-33P]ATP


Bioorg Med Chem 22: 4704-10 (2014)


Article DOI: 10.1016/j.bmc.2014.07.011
BindingDB Entry DOI: 10.7270/Q2MS3VD0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50178616
PNG
(CHEMBL3814423)
Show SMILES c1n[nH]c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C19H12N4/c1-3-7-13-10(5-1)15-12-9-20-23-17(12)16-11-6-2-4-8-14(11)22-19(16)18(15)21-13/h1-9,21-22H,(H,20,23)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



Universit£ Clermont Auvergne

Curated by ChEMBL


Assay Description
Inhibition of human full length (His)6-tagged Pim-3 expressed in insect Sf21 cells using RSRHSSYPAGT as substrate measured for 30 mins by [gamma-33P]...


Bioorg Med Chem 24: 3116-24 (2016)


BindingDB Entry DOI: 10.7270/Q2ZG6V50
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50117930
PNG
((4-{1-[2-(6-Methyl-pyridin-2-yl)-ethyl]-piperidine...)
Show SMILES Cc1cccc(CCN2CCC(CC2)C(=O)c2ccc(NS(C)(=O)=O)cc2)n1
Show InChI InChI=1S/C21H27N3O3S/c1-16-4-3-5-19(22-16)12-15-24-13-10-18(11-14-24)21(25)17-6-8-20(9-7-17)23-28(2,26)27/h3-9,18,23H,10-15H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of human ERG tail current by patch clamp method


J Med Chem 57: 4640-60 (2014)


Article DOI: 10.1021/jm500109z
BindingDB Entry DOI: 10.7270/Q2TQ6335
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50117930
PNG
((4-{1-[2-(6-Methyl-pyridin-2-yl)-ethyl]-piperidine...)
Show SMILES Cc1cccc(CCN2CCC(CC2)C(=O)c2ccc(NS(C)(=O)=O)cc2)n1
Show InChI InChI=1S/C21H27N3O3S/c1-16-4-3-5-19(22-16)12-15-24-13-10-18(11-14-24)21(25)17-6-8-20(9-7-17)23-28(2,26)27/h3-9,18,23H,10-15H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 24n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells assessed as inhibition of tail current after 5 mins by automated whole-cell patch clamp assay


Eur J Med Chem 117: 256-68 (2016)


BindingDB Entry DOI: 10.7270/Q22V2J1P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50017360
PNG
(CHEMBL3288266)
Show SMILES Oc1c(C(=O)Nc2ccc(F)cc2)c2ccc(cc2c(=O)n1O)[N+]([O-])=O
Show InChI InChI=1S/C16H10FN3O6/c17-8-1-3-9(4-2-8)18-14(21)13-11-6-5-10(20(25)26)7-12(11)15(22)19(24)16(13)23/h1-7,23-24H,(H,18,21)
PDB
MMDB

UniProtKB/TrEMBL

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



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 overall integrase activity using 5'-digoxigenin-labeled GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCAGT-3' as substrate after 1 hr by ELISA


J Med Chem 57: 4640-60 (2014)


Article DOI: 10.1021/jm500109z
BindingDB Entry DOI: 10.7270/Q2TQ6335
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50017365
PNG
(CHEMBL3288274)
Show SMILES Oc1c(C(=O)NCc2ccc(F)cc2)c2cc(ccc2c(=O)n1O)[N+]([O-])=O
Show InChI InChI=1S/C17H12FN3O6/c18-10-3-1-9(2-4-10)8-19-15(22)14-13-7-11(21(26)27)5-6-12(13)16(23)20(25)17(14)24/h1-7,24-25H,8H2,(H,19,22)
PDB
MMDB

UniProtKB/TrEMBL

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



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 overall integrase activity using 5'-digoxigenin-labeled GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCAGT-3' as substrate after 1 hr by ELISA


J Med Chem 57: 4640-60 (2014)


Article DOI: 10.1021/jm500109z
BindingDB Entry DOI: 10.7270/Q2TQ6335
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50432942
PNG
(CHEMBL2377721)
Show SMILES Nc1cc2cn[nH]c2c2cc[nH]c12
Show InChI InChI=1S/C9H8N4/c10-7-3-5-4-12-13-8(5)6-1-2-11-9(6)7/h1-4,11H,10H2,(H,12,13)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of human full length Pim-3 using RSRHSSYPAGT as substrate assessed as residual activity after 30 mins in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 23: 2298-301 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.074
BindingDB Entry DOI: 10.7270/Q26111PK
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50436564
PNG
(CHEMBL2397523)
Show SMILES [O-][N+](=O)c1cc2n[nH]cc2c2c1[nH]c1ccccc21
Show InChI InChI=1S/C13H8N4O2/c18-17(19)11-5-10-8(6-14-16-10)12-7-3-1-2-4-9(7)15-13(11)12/h1-6,15H,(H,14,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of human PIM1 using RSRHSSYPAGT as substrate after 30 mins


Bioorg Med Chem 21: 4102-11 (2013)


Article DOI: 10.1016/j.bmc.2013.05.011
BindingDB Entry DOI: 10.7270/Q2F76DZV
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50017357
PNG
(CHEMBL3288264)
Show SMILES CCCCCCNC(=O)c1c(O)n(O)c(=O)c2cc(ccc12)[N+]([O-])=O
Show InChI InChI=1S/C16H19N3O6/c1-2-3-4-5-8-17-14(20)13-11-7-6-10(19(24)25)9-12(11)15(21)18(23)16(13)22/h6-7,9,22-23H,2-5,8H2,1H3,(H,17,20)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 overall integrase activity using 5'-digoxigenin-labeled GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCAGT-3' as substrate after 1 hr by ELISA


J Med Chem 57: 4640-60 (2014)


Article DOI: 10.1021/jm500109z
BindingDB Entry DOI: 10.7270/Q2TQ6335
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50017361
PNG
(CHEMBL3288267)
Show SMILES Oc1c(C(=O)NCCc2ccc(F)cc2)c2ccc(cc2c(=O)n1O)[N+]([O-])=O
Show InChI InChI=1S/C18H14FN3O6/c19-11-3-1-10(2-4-11)7-8-20-16(23)15-13-6-5-12(22(27)28)9-14(13)17(24)21(26)18(15)25/h1-6,9,25-26H,7-8H2,(H,20,23)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 overall integrase activity using 5'-digoxigenin-labeled GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCAGT-3' as substrate after 1 hr by ELISA


J Med Chem 57: 4640-60 (2014)


Article DOI: 10.1021/jm500109z
BindingDB Entry DOI: 10.7270/Q2TQ6335
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50017356
PNG
(CHEMBL3288263)
Show SMILES ON1C(=O)C(C(=O)NCc2ccc(F)cc2)c2ccc(NC(=O)Cc3cccs3)cc2C1=O
Show InChI InChI=1S/C23H18FN3O5S/c24-14-5-3-13(4-6-14)12-25-21(29)20-17-8-7-15(10-18(17)22(30)27(32)23(20)31)26-19(28)11-16-2-1-9-33-16/h1-10,20,32H,11-12H2,(H,25,29)(H,26,28)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 overall integrase activity using 5'-digoxigenin-labeled GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCAGT-3' as substrate after 1 hr by ELISA


J Med Chem 57: 4640-60 (2014)


Article DOI: 10.1021/jm500109z
BindingDB Entry DOI: 10.7270/Q2TQ6335
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50017349
PNG
(CHEMBL3288280)
Show SMILES ON1C(=O)C(C(=O)NCc2ccc(F)cc2)c2ccc(Br)cc2C1=O
Show InChI InChI=1S/C17H12BrFN2O4/c18-10-3-6-12-13(7-10)16(23)21(25)17(24)14(12)15(22)20-8-9-1-4-11(19)5-2-9/h1-7,14,25H,8H2,(H,20,22)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 overall integrase activity using 5'-digoxigenin-labeled GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCAGT-3' as substrate after 1 hr by ELISA


J Med Chem 57: 4640-60 (2014)


Article DOI: 10.1021/jm500109z
BindingDB Entry DOI: 10.7270/Q2TQ6335
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50055958
PNG
(CHEMBL3326555)
Show SMILES [O-][N+](=O)c1cc2[nH]ncc2c2c1ncc1ccccc21
Show InChI InChI=1S/C14H8N4O2/c19-18(20)12-5-11-10(7-16-17-11)13-9-4-2-1-3-8(9)6-15-14(12)13/h1-7H,(H,16,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of full-length human PIM1 using RSRHSSYPAGT as substrate assessed as residual kinase activity after 30 mins in presence of [gamma-33P]ATP


Bioorg Med Chem 22: 4704-10 (2014)


Article DOI: 10.1016/j.bmc.2014.07.011
BindingDB Entry DOI: 10.7270/Q2MS3VD0
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50017351
PNG
(CHEMBL3288282)
Show SMILES Oc1c(C(=O)NCc2ccc(F)cc2)c2ccc(cc2c(=O)n1O)C#N
Show InChI InChI=1S/C18H12FN3O4/c19-12-4-1-10(2-5-12)9-21-16(23)15-13-6-3-11(8-20)7-14(13)17(24)22(26)18(15)25/h1-7,25-26H,9H2,(H,21,23)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 overall integrase activity using 5'-digoxigenin-labeled GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCAGT-3' as substrate after 1 hr by ELISA


J Med Chem 57: 4640-60 (2014)


Article DOI: 10.1021/jm500109z
BindingDB Entry DOI: 10.7270/Q2TQ6335
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50017353
PNG
(CHEMBL3288271)
Show SMILES ON1C(=O)C(C(=O)NCc2ccc(F)cc2)c2ccc(NC(=O)c3ccccc3)cc2C1=O
Show InChI InChI=1S/C24H18FN3O5/c25-16-8-6-14(7-9-16)13-26-22(30)20-18-11-10-17(12-19(18)23(31)28(33)24(20)32)27-21(29)15-4-2-1-3-5-15/h1-12,20,33H,13H2,(H,26,30)(H,27,29)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 overall integrase activity using 5'-digoxigenin-labeled GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCAGT-3' as substrate after 1 hr by ELISA


J Med Chem 57: 4640-60 (2014)


Article DOI: 10.1021/jm500109z
BindingDB Entry DOI: 10.7270/Q2TQ6335
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50170903
PNG
(CHEMBL3805993)
Show SMILES CCCCCCNC(=O)C1C(=O)N(O)C(=O)c2ccccc12
Show InChI InChI=1/C16H20N2O4/c1-2-3-4-7-10-17-14(19)13-11-8-5-6-9-12(11)15(20)18(22)16(13)21/h5-6,8-9,13,22H,2-4,7,10H2,1H3,(H,17,19)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 85n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase using 3'-biotin-labelled and 5'-digoxigenin-labelled oligonucleotide substrate incubated for 1 hr by ELISA


Eur J Med Chem 117: 256-68 (2016)


BindingDB Entry DOI: 10.7270/Q22V2J1P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50436569
PNG
(CHEMBL2397600)
Show SMILES [O-][N+](=O)c1cc2c[nH]nc2c2c1[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C13H7ClN4O2/c14-7-1-2-9-8(4-7)11-12-6(5-15-17-12)3-10(18(19)20)13(11)16-9/h1-5,16H,(H,15,17)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 90n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of human PIM3 using RSRHSSYPAGT as substrate after 30 mins


Bioorg Med Chem 21: 4102-11 (2013)


Article DOI: 10.1016/j.bmc.2013.05.011
BindingDB Entry DOI: 10.7270/Q2F76DZV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50436564
PNG
(CHEMBL2397523)
Show SMILES [O-][N+](=O)c1cc2n[nH]cc2c2c1[nH]c1ccccc21
Show InChI InChI=1S/C13H8N4O2/c18-17(19)11-5-10-8(6-14-16-10)12-7-3-1-2-4-9(7)15-13(11)12/h1-6,15H,(H,14,16)
KEGG

UniProtKB/SwissProt

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



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of human PIM3 using RSRHSSYPAGT as substrate after 30 mins


Bioorg Med Chem 21: 4102-11 (2013)


Article DOI: 10.1016/j.bmc.2013.05.011
BindingDB Entry DOI: 10.7270/Q2F76DZV
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50017352
PNG
(CHEMBL3288270)
Show SMILES CC(=O)Nc1ccc2C(C(=O)NCc3ccc(F)cc3)C(=O)N(O)C(=O)c2c1
Show InChI InChI=1S/C19H16FN3O5/c1-10(24)22-13-6-7-14-15(8-13)18(26)23(28)19(27)16(14)17(25)21-9-11-2-4-12(20)5-3-11/h2-8,16,28H,9H2,1H3,(H,21,25)(H,22,24)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 overall integrase activity using 5'-digoxigenin-labeled GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCAGT-3' as substrate after 1 hr by ELISA


J Med Chem 57: 4640-60 (2014)


Article DOI: 10.1021/jm500109z
BindingDB Entry DOI: 10.7270/Q2TQ6335
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50017366
PNG
(CHEMBL3288275)
Show SMILES Nc1ccc2C(C(=O)NCc3ccc(F)cc3)C(=O)N(O)C(=O)c2c1
Show InChI InChI=1S/C17H14FN3O4/c18-10-3-1-9(2-4-10)8-20-15(22)14-12-6-5-11(19)7-13(12)16(23)21(25)17(14)24/h1-7,14,25H,8,19H2,(H,20,22)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 overall integrase activity using 5'-digoxigenin-labeled GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCAGT-3' as substrate after 1 hr by ELISA


J Med Chem 57: 4640-60 (2014)


Article DOI: 10.1021/jm500109z
BindingDB Entry DOI: 10.7270/Q2TQ6335
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50436561
PNG
(CHEMBL2397528)
Show SMILES Nc1cc2n[nH]cc2c2c3cc(Cl)ccc3[nH]c12
Show InChI InChI=1S/C13H9ClN4/c14-6-1-2-10-7(3-6)12-8-5-16-18-11(8)4-9(15)13(12)17-10/h1-5,17H,15H2,(H,16,18)
KEGG

UniProtKB/SwissProt

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



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of human PIM3 using RSRHSSYPAGT as substrate after 30 mins


Bioorg Med Chem 21: 4102-11 (2013)


Article DOI: 10.1016/j.bmc.2013.05.011
BindingDB Entry DOI: 10.7270/Q2F76DZV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50436563
PNG
(CHEMBL2397524)
Show SMILES COc1ccc2[nH]c3c(cc4n[nH]cc4c3c2c1)[N+]([O-])=O
Show InChI InChI=1S/C14H10N4O3/c1-21-7-2-3-10-8(4-7)13-9-6-15-17-11(9)5-12(18(19)20)14(13)16-10/h2-6,16H,1H3,(H,15,17)
KEGG

UniProtKB/SwissProt

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



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of human PIM3 using RSRHSSYPAGT as substrate after 30 mins


Bioorg Med Chem 21: 4102-11 (2013)


Article DOI: 10.1016/j.bmc.2013.05.011
BindingDB Entry DOI: 10.7270/Q2F76DZV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50436565
PNG
(CHEMBL2397599)
Show SMILES COc1ccc2[nH]c3c(cc4c[nH]nc4c3c2c1)[N+]([O-])=O
Show InChI InChI=1S/C14H10N4O3/c1-21-8-2-3-10-9(5-8)12-13-7(6-15-17-13)4-11(18(19)20)14(12)16-10/h2-6,16H,1H3,(H,15,17)
KEGG

UniProtKB/SwissProt

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



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of human PIM3 using RSRHSSYPAGT as substrate after 30 mins


Bioorg Med Chem 21: 4102-11 (2013)


Article DOI: 10.1016/j.bmc.2013.05.011
BindingDB Entry DOI: 10.7270/Q2F76DZV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50432946
PNG
(CHEMBL2377711)
Show SMILES CCc1[nH]c2c(cc3cn[nH]c3c2c1-c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C17H14N4O2/c1-2-12-14(10-6-4-3-5-7-10)15-16-11(9-18-20-16)8-13(21(22)23)17(15)19-12/h3-9,19H,2H2,1H3,(H,18,20)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 119n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of human full length Pim-3 using RSRHSSYPAGT as substrate assessed as residual activity after 30 mins in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 23: 2298-301 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.074
BindingDB Entry DOI: 10.7270/Q26111PK
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50055959
PNG
(CHEMBL3326556)
Show SMILES COc1ccc2c(cnc3c(cc4[nH]ncc4c23)[N+]([O-])=O)c1
Show InChI InChI=1S/C15H10N4O3/c1-22-9-2-3-10-8(4-9)6-16-15-13(19(20)21)5-12-11(14(10)15)7-17-18-12/h2-7H,1H3,(H,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of full-length human PIM1 using RSRHSSYPAGT as substrate assessed as residual kinase activity after 30 mins in presence of [gamma-33P]ATP


Bioorg Med Chem 22: 4704-10 (2014)


Article DOI: 10.1016/j.bmc.2014.07.011
BindingDB Entry DOI: 10.7270/Q2MS3VD0
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50017348
PNG
(CHEMBL3288279)
Show SMILES ON1C(=O)C(C(=O)NCc2ccc(F)cc2)c2ccc(Cl)cc2C1=O
Show InChI InChI=1S/C17H12ClFN2O4/c18-10-3-6-12-13(7-10)16(23)21(25)17(24)14(12)15(22)20-8-9-1-4-11(19)5-2-9/h1-7,14,25H,8H2,(H,20,22)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 overall integrase activity using 5'-digoxigenin-labeled GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCAGT-3' as substrate after 1 hr by ELISA


J Med Chem 57: 4640-60 (2014)


Article DOI: 10.1021/jm500109z
BindingDB Entry DOI: 10.7270/Q2TQ6335
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50055959
PNG
(CHEMBL3326556)
Show SMILES COc1ccc2c(cnc3c(cc4[nH]ncc4c23)[N+]([O-])=O)c1
Show InChI InChI=1S/C15H10N4O3/c1-22-9-2-3-10-8(4-9)6-16-15-13(19(20)21)5-12-11(14(10)15)7-17-18-12/h2-7H,1H3,(H,17,18)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of full-length human PIM3 using RSRHSSYPAGT as substrate assessed as residual kinase activity after 30 mins in presence of [gamma-33P]ATP


Bioorg Med Chem 22: 4704-10 (2014)


Article DOI: 10.1016/j.bmc.2014.07.011
BindingDB Entry DOI: 10.7270/Q2MS3VD0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50178616
PNG
(CHEMBL3814423)
Show SMILES c1n[nH]c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C19H12N4/c1-3-7-13-10(5-1)15-12-9-20-23-17(12)16-11-6-2-4-8-14(11)22-19(16)18(15)21-13/h1-9,21-22H,(H,20,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 150n/an/an/an/an/an/a



Universit£ Clermont Auvergne

Curated by ChEMBL


Assay Description
Inhibition of human full length (His)6-tagged Pim-1 expressed in insect Sf21 cells using RSRHSSYPAGT as substrate measured for 30 mins by [gamma-33P]...


Bioorg Med Chem 24: 3116-24 (2016)


BindingDB Entry DOI: 10.7270/Q2ZG6V50
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50436563
PNG
(CHEMBL2397524)
Show SMILES COc1ccc2[nH]c3c(cc4n[nH]cc4c3c2c1)[N+]([O-])=O
Show InChI InChI=1S/C14H10N4O3/c1-21-7-2-3-10-8(4-7)13-9-6-15-17-11(9)5-12(18(19)20)14(13)16-10/h2-6,16H,1H3,(H,15,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of human PIM1 using RSRHSSYPAGT as substrate after 30 mins


Bioorg Med Chem 21: 4102-11 (2013)


Article DOI: 10.1016/j.bmc.2013.05.011
BindingDB Entry DOI: 10.7270/Q2F76DZV
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50017354
PNG
(CHEMBL3288261)
Show SMILES ON1C(=O)C(C(=O)NCc2ccc(F)cc2)c2ccc(NC(=O)c3ccccn3)cc2C1=O
Show InChI InChI=1S/C23H17FN4O5/c24-14-6-4-13(5-7-14)12-26-21(30)19-16-9-8-15(11-17(16)22(31)28(33)23(19)32)27-20(29)18-3-1-2-10-25-18/h1-11,19,33H,12H2,(H,26,30)(H,27,29)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 160n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 overall integrase activity using 5'-digoxigenin-labeled GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCAGT-3' as substrate after 1 hr by ELISA


J Med Chem 57: 4640-60 (2014)


Article DOI: 10.1021/jm500109z
BindingDB Entry DOI: 10.7270/Q2TQ6335
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50055961
PNG
(CHEMBL3326558)
Show SMILES [O-][N+](=O)c1cc2[nH]ncc2c2c1ncc1c(F)cccc21
Show InChI InChI=1S/C14H7FN4O2/c15-10-3-1-2-7-8(10)5-16-14-12(19(20)21)4-11-9(13(7)14)6-17-18-11/h1-6H,(H,17,18)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 169n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of full-length human PIM3 using RSRHSSYPAGT as substrate assessed as residual kinase activity after 30 mins in presence of [gamma-33P]ATP


Bioorg Med Chem 22: 4704-10 (2014)


Article DOI: 10.1016/j.bmc.2014.07.011
BindingDB Entry DOI: 10.7270/Q2MS3VD0
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50090677
PNG
(4-Amino-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfon...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ccnn1-c1ccccc1
Show InChI InChI=1S/C15H14N4O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-10-11-17-19(15)13-4-2-1-3-5-13/h1-11,18H,16H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents

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



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C9 using MFC as substrate incubated for 40 mins by fluorimetry


Eur J Med Chem 117: 256-68 (2016)


BindingDB Entry DOI: 10.7270/Q22V2J1P
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50090677
PNG
(4-Amino-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfon...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ccnn1-c1ccccc1
Show InChI InChI=1S/C15H14N4O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-10-11-17-19(15)13-4-2-1-3-5-13/h1-11,18H,16H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents

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



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of recombinant CYP2C9 (unknown origin) using 7-methoxy-4-trifluoromethylcoumarin as substrate


J Med Chem 57: 4640-60 (2014)


Article DOI: 10.1021/jm500109z
BindingDB Entry DOI: 10.7270/Q2TQ6335
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50170903
PNG
(CHEMBL3805993)
Show SMILES CCCCCCNC(=O)C1C(=O)N(O)C(=O)c2ccccc12
Show InChI InChI=1/C16H20N2O4/c1-2-3-4-7-10-17-14(19)13-11-8-5-6-9-12(11)15(20)18(22)16(13)21/h5-6,8-9,13,22H,2-4,7,10H2,1H3,(H,17,19)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 195n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase using 3'-biotin-labelled and 5'-digoxigenin-labelled oligonucleotide substrate incubated for 1 hr by ELISA


Eur J Med Chem 117: 256-68 (2016)


BindingDB Entry DOI: 10.7270/Q22V2J1P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50055960
PNG
(CHEMBL3326557)
Show SMILES [O-][N+](=O)c1cc2[nH]ncc2c2c1ncc1ccc(Cl)cc21
Show InChI InChI=1S/C14H7ClN4O2/c15-8-2-1-7-5-16-14-12(19(20)21)4-11-10(6-17-18-11)13(14)9(7)3-8/h1-6H,(H,17,18)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of full-length human PIM3 using RSRHSSYPAGT as substrate assessed as residual kinase activity after 30 mins in presence of [gamma-33P]ATP


Bioorg Med Chem 22: 4704-10 (2014)


Article DOI: 10.1016/j.bmc.2014.07.011
BindingDB Entry DOI: 10.7270/Q2MS3VD0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50436562
PNG
(CHEMBL2397525)
Show SMILES [O-][N+](=O)c1cc2n[nH]cc2c2c1[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C13H7ClN4O2/c14-6-1-2-9-7(3-6)12-8-5-15-17-10(8)4-11(18(19)20)13(12)16-9/h1-5,16H,(H,15,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of human PIM1 using RSRHSSYPAGT as substrate after 30 mins


Bioorg Med Chem 21: 4102-11 (2013)


Article DOI: 10.1016/j.bmc.2013.05.011
BindingDB Entry DOI: 10.7270/Q2F76DZV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50436566
PNG
(CHEMBL2397598)
Show SMILES [O-][N+](=O)c1cc2c[nH]nc2c2c1[nH]c1ccccc21
Show InChI InChI=1S/C13H8N4O2/c18-17(19)10-5-7-6-14-16-12(7)11-8-3-1-2-4-9(8)15-13(10)11/h1-6,15H,(H,14,16)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 210n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of human PIM3 using RSRHSSYPAGT as substrate after 30 mins


Bioorg Med Chem 21: 4102-11 (2013)


Article DOI: 10.1016/j.bmc.2013.05.011
BindingDB Entry DOI: 10.7270/Q2F76DZV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50436565
PNG
(CHEMBL2397599)
Show SMILES COc1ccc2[nH]c3c(cc4c[nH]nc4c3c2c1)[N+]([O-])=O
Show InChI InChI=1S/C14H10N4O3/c1-21-8-2-3-10-9(5-8)12-13-7(6-15-17-13)4-11(18(19)20)14(12)16-10/h2-6,16H,1H3,(H,15,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 220n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of human PIM1 using RSRHSSYPAGT as substrate after 30 mins


Bioorg Med Chem 21: 4102-11 (2013)


Article DOI: 10.1016/j.bmc.2013.05.011
BindingDB Entry DOI: 10.7270/Q2F76DZV
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50017355
PNG
(CHEMBL3288262)
Show SMILES ON1C(=O)C(C(=O)NCc2ccc(F)cc2)c2ccc(NC(=O)Cc3ccccc3)cc2C1=O
Show InChI InChI=1S/C25H20FN3O5/c26-17-8-6-16(7-9-17)14-27-23(31)22-19-11-10-18(13-20(19)24(32)29(34)25(22)33)28-21(30)12-15-4-2-1-3-5-15/h1-11,13,22,34H,12,14H2,(H,27,31)(H,28,30)
PDB
MMDB

UniProtKB/TrEMBL

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



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 overall integrase activity using 5'-digoxigenin-labeled GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCAGT-3' as substrate after 1 hr by ELISA


J Med Chem 57: 4640-60 (2014)


Article DOI: 10.1021/jm500109z
BindingDB Entry DOI: 10.7270/Q2TQ6335
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50436562
PNG
(CHEMBL2397525)
Show SMILES [O-][N+](=O)c1cc2n[nH]cc2c2c1[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C13H7ClN4O2/c14-6-1-2-9-7(3-6)12-8-5-15-17-10(8)4-11(18(19)20)13(12)16-9/h1-5,16H,(H,15,17)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 230n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of human PIM3 using RSRHSSYPAGT as substrate after 30 mins


Bioorg Med Chem 21: 4102-11 (2013)


Article DOI: 10.1016/j.bmc.2013.05.011
BindingDB Entry DOI: 10.7270/Q2F76DZV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50432946
PNG
(CHEMBL2377711)
Show SMILES CCc1[nH]c2c(cc3cn[nH]c3c2c1-c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C17H14N4O2/c1-2-12-14(10-6-4-3-5-7-10)15-16-11(9-18-20-16)8-13(21(22)23)17(15)19-12/h3-9,19H,2H2,1H3,(H,18,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of human full length Pim-1 using RSRHSSYPAGT as substrate assessed as residual activity after 30 mins in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 23: 2298-301 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.074
BindingDB Entry DOI: 10.7270/Q26111PK
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50017367
PNG
(CHEMBL3288276)
Show SMILES ON1C(=O)C(C(=O)NCc2ccc(F)cc2)c2ccc(F)cc2C1=O
Show InChI InChI=1S/C17H12F2N2O4/c18-10-3-1-9(2-4-10)8-20-15(22)14-12-6-5-11(19)7-13(12)16(23)21(25)17(14)24/h1-7,14,25H,8H2,(H,20,22)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 240n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 overall integrase activity using 5'-digoxigenin-labeled GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCAGT-3' as substrate after 1 hr by ELISA


J Med Chem 57: 4640-60 (2014)


Article DOI: 10.1021/jm500109z
BindingDB Entry DOI: 10.7270/Q2TQ6335
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 100 total )  |  Next  |  Last  >>
Jump to: