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

Found 322 hits with Last Name = 'gavrin' and Initial = 'lk'   
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
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM35229
PNG
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)
Show SMILES CNCCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
2.10n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243500
PNG
((-)-1-[(1S)-1-(3-Chlorophenyl)-2-(4-methylpiperazi...)
Show SMILES CN1CCN(C[C@H](c2cccc(Cl)c2)C2(O)CCCCC2)CC1 |r|
Show InChI InChI=1S/C19H29ClN2O/c1-21-10-12-22(13-11-21)15-18(16-6-5-7-17(20)14-16)19(23)8-3-2-4-9-19/h5-7,14,18,23H,2-4,8-13,15H2,1H3/t18-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
14n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243503
PNG
((+)-1-[(1S)-1-(3-Chlorophenyl)-2-piperazin-1-yleth...)
Show SMILES OC1(CCCCC1)[C@H](CN1CCNCC1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C18H27ClN2O/c19-16-6-4-5-15(13-16)17(14-21-11-9-20-10-12-21)18(22)7-2-1-3-8-18/h4-6,13,17,20,22H,1-3,7-12,14H2/t17-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

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



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243501
PNG
(1-[1-(3-Chlorophenyl)-2-piperazin-1-ylethyl]cycloh...)
Show SMILES OC1(CCCCC1)C(CN1CCNCC1)c1cccc(Cl)c1
Show InChI InChI=1S/C18H27ClN2O/c19-16-6-4-5-15(13-16)17(14-21-11-9-20-10-12-21)18(22)7-2-1-3-8-18/h4-6,13,17,20,22H,1-3,7-12,14H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
18n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50010884
PNG
(1-(2-(dimethylamino)-1-(3-(trifluoromethyl)phenyl)...)
Show SMILES CN(C)CC(c1cccc(c1)C(F)(F)F)C1(O)CCCCC1
Show InChI InChI=1S/C17H24F3NO/c1-21(2)12-15(16(22)9-4-3-5-10-16)13-7-6-8-14(11-13)17(18,19)20/h6-8,11,15,22H,3-5,9-10,12H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
21n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243464
PNG
((-)-1-[(1R)-1-(3-Chlorophenyl)-2-(dimethylamino)et...)
Show SMILES CN(C)C[C@@H](c1cccc(Cl)c1)C1(O)CCCCC1 |r|
Show InChI InChI=1S/C16H24ClNO/c1-18(2)12-15(13-7-6-8-14(17)11-13)16(19)9-4-3-5-10-16/h6-8,11,15,19H,3-5,9-10,12H2,1-2H3/t15-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
41n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50243501
PNG
(1-[1-(3-Chlorophenyl)-2-piperazin-1-ylethyl]cycloh...)
Show SMILES OC1(CCCCC1)C(CN1CCNCC1)c1cccc(Cl)c1
Show InChI InChI=1S/C18H27ClN2O/c19-16-6-4-5-15(13-16)17(14-21-11-9-20-10-12-21)18(22)7-2-1-3-8-18/h4-6,13,17,20,22H,1-3,7-12,14H2
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
45n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from human recombinant dopamine transporter expressed in CHO cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243468
PNG
(1-[1-(3-Chlorophenyl)-2-(4-methylpiperazin-1-yl)et...)
Show SMILES CN1CCN(CC(c2cccc(Cl)c2)C2(O)CCCCC2)CC1
Show InChI InChI=1S/C19H29ClN2O/c1-21-10-12-22(13-11-21)15-18(16-6-5-7-17(20)14-16)19(23)8-3-2-4-9-19/h5-7,14,18,23H,2-4,8-13,15H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
46n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50242927
PNG
((-)-1-{(1S)-2-(4-Methylpiperazin-1-yl)-1-[3-(trifl...)
Show SMILES CN1CCN(C[C@H](c2cccc(OC(F)(F)F)c2)C2(O)CCCCC2)CC1 |r|
Show InChI InChI=1S/C20H29F3N2O2/c1-24-10-12-25(13-11-24)15-18(19(26)8-3-2-4-9-19)16-6-5-7-17(14-16)27-20(21,22)23/h5-7,14,18,26H,2-4,8-13,15H2,1H3/t18-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
50n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50243468
PNG
(1-[1-(3-Chlorophenyl)-2-(4-methylpiperazin-1-yl)et...)
Show SMILES CN1CCN(CC(c2cccc(Cl)c2)C2(O)CCCCC2)CC1
Show InChI InChI=1S/C19H29ClN2O/c1-21-10-12-22(13-11-21)15-18(16-6-5-7-17(20)14-16)19(23)8-3-2-4-9-19/h5-7,14,18,23H,2-4,8-13,15H2,1H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

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



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from human recombinant dopamine transporter expressed in CHO cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243017
PNG
(1-{2-Piperazin-1-yl-1-[3-(trifluoromethyl)phenyl]e...)
Show SMILES OC1(CCCCC1)C(CN1CCNCC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C19H27F3N2O/c20-19(21,22)16-6-4-5-15(13-16)17(14-24-11-9-23-10-12-24)18(25)7-2-1-3-8-18/h4-6,13,17,23,25H,1-3,7-12,14H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
58n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243016
PNG
(1-{2-(3-Methylpiperazin-1-yl)-1-[3-(trifluoromethy...)
Show SMILES CN1CCN(CC(c2cccc(c2)C(F)(F)F)C2(O)CCCCC2)CC1
Show InChI InChI=1S/C20H29F3N2O/c1-24-10-12-25(13-11-24)15-18(19(26)8-3-2-4-9-19)16-6-5-7-17(14-16)20(21,22)23/h5-7,14,18,26H,2-4,8-13,15H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
61n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50243500
PNG
((-)-1-[(1S)-1-(3-Chlorophenyl)-2-(4-methylpiperazi...)
Show SMILES CN1CCN(C[C@H](c2cccc(Cl)c2)C2(O)CCCCC2)CC1 |r|
Show InChI InChI=1S/C19H29ClN2O/c1-21-10-12-22(13-11-21)15-18(16-6-5-7-17(20)14-16)19(23)8-3-2-4-9-19/h5-7,14,18,23H,2-4,8-13,15H2,1H3/t18-/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
73n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from human recombinant dopamine transporter expressed in CHO cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50242925
PNG
(1-{2-(3-Methylpiperazin-1-yl)-1-[3-(trifluorometho...)
Show SMILES CN1CCN(CC(c2cccc(OC(F)(F)F)c2)C2(O)CCCCC2)CC1
Show InChI InChI=1S/C20H29F3N2O2/c1-24-10-12-25(13-11-24)15-18(19(26)8-3-2-4-9-19)16-6-5-7-17(14-16)27-20(21,22)23/h5-7,14,18,26H,2-4,8-13,15H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
91n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243015
PNG
((+)-1-{(1S)-2-Piperazin-1-yl-1-[3-(trifluoromethox...)
Show SMILES OC1(CCCCC1)[C@H](CN1CCNCC1)c1cccc(OC(F)(F)F)c1 |r|
Show InChI InChI=1S/C19H27F3N2O2/c20-19(21,22)26-16-6-4-5-15(13-16)17(14-24-11-9-23-10-12-24)18(25)7-2-1-3-8-18/h4-6,13,17,23,25H,1-3,7-12,14H2/t17-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
117n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50010860
PNG
(1-(1-(2-chlorophenyl)-2-(dimethylamino)ethyl)cyclo...)
Show SMILES CN(C)CC(c1ccccc1Cl)C1(O)CCCCC1
Show InChI InChI=1S/C16H24ClNO/c1-18(2)12-14(13-8-4-5-9-15(13)17)16(19)10-6-3-7-11-16/h4-5,8-9,14,19H,3,6-7,10-12H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
125n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50243503
PNG
((+)-1-[(1S)-1-(3-Chlorophenyl)-2-piperazin-1-yleth...)
Show SMILES OC1(CCCCC1)[C@H](CN1CCNCC1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C18H27ClN2O/c19-16-6-4-5-15(13-16)17(14-21-11-9-20-10-12-21)18(22)7-2-1-3-8-18/h4-6,13,17,20,22H,1-3,7-12,14H2/t17-/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
135n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from human recombinant dopamine transporter expressed in CHO cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243013
PNG
(1-{2-Piperazin-1-yl-1-[3-(trifluoromethoxy)phenyl]...)
Show SMILES OC1(CCCCC1)C(CN1CCNCC1)c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C19H27F3N2O2/c20-19(21,22)26-16-6-4-5-15(13-16)17(14-24-11-9-23-10-12-24)18(25)7-2-1-3-8-18/h4-6,13,17,23,25H,1-3,7-12,14H2
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50010858
PNG
(1-(1-(3-chlorophenyl)-2-(dimethylamino)ethyl)cyclo...)
Show SMILES CN(C)CC(c1cccc(Cl)c1)C1(O)CCCCC1
Show InChI InChI=1S/C16H24ClNO/c1-18(2)12-15(13-7-6-8-14(17)11-13)16(19)9-4-3-5-10-16/h6-8,11,15,19H,3-5,9-10,12H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
149n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243469
PNG
((+)-1-[(1R)-1-(3-Chlorophenyl)-2-(4-methylpiperazi...)
Show SMILES CN1CCN(C[C@@H](c2cccc(Cl)c2)C2(O)CCCCC2)CC1 |r|
Show InChI InChI=1S/C19H29ClN2O/c1-21-10-12-22(13-11-21)15-18(16-6-5-7-17(20)14-16)19(23)8-3-2-4-9-19/h5-7,14,18,23H,2-4,8-13,15H2,1H3/t18-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
187n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243502
PNG
((-)-1-[(1R)-1-(3-Chlorophenyl)-2-piperazin-1-yleth...)
Show SMILES OC1(CCCCC1)[C@@H](CN1CCNCC1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C18H27ClN2O/c19-16-6-4-5-15(13-16)17(14-21-11-9-20-10-12-21)18(22)7-2-1-3-8-18/h4-6,13,17,20,22H,1-3,7-12,14H2/t17-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
214n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50243469
PNG
((+)-1-[(1R)-1-(3-Chlorophenyl)-2-(4-methylpiperazi...)
Show SMILES CN1CCN(C[C@@H](c2cccc(Cl)c2)C2(O)CCCCC2)CC1 |r|
Show InChI InChI=1S/C19H29ClN2O/c1-21-10-12-22(13-11-21)15-18(16-6-5-7-17(20)14-16)19(23)8-3-2-4-9-19/h5-7,14,18,23H,2-4,8-13,15H2,1H3/t18-/m0/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
235n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from human recombinant dopamine transporter expressed in CHO cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50010874
PNG
(1-(1-(4-chlorophenyl)-2-(dimethylamino)ethyl)cyclo...)
Show SMILES CN(C)CC(c1ccc(Cl)cc1)C1(O)CCCCC1
Show InChI InChI=1S/C16H24ClNO/c1-18(2)12-15(13-6-8-14(17)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,19H,3-5,10-12H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
249n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50010879
PNG
(1-(2-(dimethylamino)-1-(3-methoxyphenyl)ethyl)cycl...)
Show SMILES COc1cccc(c1)C(CN(C)C)C1(O)CCCCC1
Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)10-5-4-6-11-17)14-8-7-9-15(12-14)20-3/h7-9,12,16,19H,4-6,10-11,13H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
316n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243465
PNG
((+)-1-[(1S)-1-(3-Chlorophenyl)-2-(dimethylamino)et...)
Show SMILES CN(C)C[C@H](c1cccc(Cl)c1)C1(O)CCCCC1 |r|
Show InChI InChI=1S/C16H24ClNO/c1-18(2)12-15(13-7-6-8-14(17)11-13)16(19)9-4-3-5-10-16/h6-8,11,15,19H,3-5,9-10,12H2,1-2H3/t15-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
339n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50243502
PNG
((-)-1-[(1R)-1-(3-Chlorophenyl)-2-piperazin-1-yleth...)
Show SMILES OC1(CCCCC1)[C@@H](CN1CCNCC1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C18H27ClN2O/c19-16-6-4-5-15(13-16)17(14-21-11-9-20-10-12-21)18(22)7-2-1-3-8-18/h4-6,13,17,20,22H,1-3,7-12,14H2/t17-/m0/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

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



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from human recombinant dopamine transporter expressed in CHO cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243011
PNG
(1-[1-(3-Fluorophenyl)-2-(4-methylpiperazin-1-yl)et...)
Show SMILES CN1CCN(CC(c2cccc(F)c2)C2(O)CCCCC2)CC1
Show InChI InChI=1S/C19H29FN2O/c1-21-10-12-22(13-11-21)15-18(16-6-5-7-17(20)14-16)19(23)8-3-2-4-9-19/h5-7,14,18,23H,2-4,8-13,15H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
364n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243012
PNG
(1-[1-(3-Fluorophenyl)-2-piperazin-1-ylethyl]cycloh...)
Show SMILES OC1(CCCCC1)C(CN1CCNCC1)c1cccc(F)c1
Show InChI InChI=1S/C18H27FN2O/c19-16-6-4-5-15(13-16)17(14-21-11-9-20-10-12-21)18(22)7-2-1-3-8-18/h4-6,13,17,20,22H,1-3,7-12,14H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
368n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM82071
PNG
(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Show SMILES COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem
Article
PubMed
385n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243504
PNG
(1-{2-(4-Methylpiperazin-1-yl)-1-[4-(trifluorometho...)
Show SMILES CN1CCN(CC(c2ccc(OC(F)(F)F)cc2)C2(O)CCCCC2)CC1
Show InChI InChI=1S/C20H29F3N2O2/c1-24-11-13-25(14-12-24)15-18(19(26)9-3-2-4-10-19)16-5-7-17(8-6-16)27-20(21,22)23/h5-8,18,26H,2-4,9-15H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
417n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50242922
PNG
(1-[1-(3-Methoxyphenyl)-2-(4-methyl-1-piperazinyl)e...)
Show SMILES COc1cccc(c1)C(CN1CCN(C)CC1)C1(O)CCCCC1
Show InChI InChI=1S/C20H32N2O2/c1-21-11-13-22(14-12-21)16-19(20(23)9-4-3-5-10-20)17-7-6-8-18(15-17)24-2/h6-8,15,19,23H,3-5,9-14,16H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
514n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50242921
PNG
(1-[1-(4-Methoxyphenyl)-2-piperazin-1-ylethyl]cyclo...)
Show SMILES COc1ccc(cc1)C(CN1CCNCC1)C1(O)CCCCC1
Show InChI InChI=1S/C19H30N2O2/c1-23-17-7-5-16(6-8-17)18(15-21-13-11-20-12-14-21)19(22)9-3-2-4-10-19/h5-8,18,20,22H,2-4,9-15H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
519n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243014
PNG
((-)-1-{(1R)-2-Piperazin-1-yl-1-[3-(trifluoromethox...)
Show SMILES OC1(CCCCC1)[C@@H](CN1CCNCC1)c1cccc(OC(F)(F)F)c1 |r|
Show InChI InChI=1S/C19H27F3N2O2/c20-19(21,22)26-16-6-4-5-15(13-16)17(14-24-11-9-23-10-12-24)18(25)7-2-1-3-8-18/h4-6,13,17,23,25H,1-3,7-12,14H2/t17-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
544n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243467
PNG
(1-[1-(4-Chlorophenyl)-2-piperazin-1-ylethyl]cycloh...)
Show SMILES OC1(CCCCC1)C(CN1CCNCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H27ClN2O/c19-16-6-4-15(5-7-16)17(14-21-12-10-20-11-13-21)18(22)8-2-1-3-9-18/h4-7,17,20,22H,1-3,8-14H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
717n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50242923
PNG
(1-[1-(3-Methoxyphenyl)-2-piperazin-1-ylethyl]cyclo...)
Show SMILES COc1cccc(c1)C(CN1CCNCC1)C1(O)CCCCC1
Show InChI InChI=1S/C19H30N2O2/c1-23-17-7-5-6-16(14-17)18(15-21-12-10-20-11-13-21)19(22)8-3-2-4-9-19/h5-7,14,18,20,22H,2-4,8-13,15H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
745n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50242926
PNG
((+)-1-{(1R)-2-(4-Methylpiperazin-1-yl)-1-[3-(trifl...)
Show SMILES CN1CCN(C[C@@H](c2cccc(OC(F)(F)F)c2)C2(O)CCCCC2)CC1 |r|
Show InChI InChI=1S/C20H29F3N2O2/c1-24-10-12-25(13-11-24)15-18(19(26)8-3-2-4-9-19)16-6-5-7-17(14-16)27-20(21,22)23/h5-7,14,18,26H,2-4,8-13,15H2,1H3/t18-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
785n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243010
PNG
(1-[1-(4-Fluorophenyl)-2-piperazin-1-ylethyl]cycloh...)
Show SMILES OC1(CCCCC1)C(CN1CCNCC1)c1ccc(F)cc1
Show InChI InChI=1S/C18H27FN2O/c19-16-6-4-15(5-7-16)17(14-21-12-10-20-11-13-21)18(22)8-2-1-3-9-18/h4-7,17,20,22H,1-3,8-14H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.03E+3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243466
PNG
(1-[1-(4-Chlorophenyl)-2-(4-methylpiperazin-1-yl)et...)
Show SMILES CN1CCN(CC(c2ccc(Cl)cc2)C2(O)CCCCC2)CC1
Show InChI InChI=1S/C19H29ClN2O/c1-21-11-13-22(14-12-21)15-18(16-5-7-17(20)8-6-16)19(23)9-3-2-4-10-19/h5-8,18,23H,2-4,9-15H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.22E+3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243009
PNG
(1-[1-(4-Fluorophenyl)-2-(4-methylpiperazin-1-yl)et...)
Show SMILES CN1CCN(CC(c2ccc(F)cc2)C2(O)CCCCC2)CC1
Show InChI InChI=1S/C19H29FN2O/c1-21-11-13-22(14-12-21)15-18(16-5-7-17(20)8-6-16)19(23)9-3-2-4-10-19/h5-8,18,23H,2-4,9-15H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.38E+3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM319575
PNG
(5-(((2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-...)
Show SMILES CC[C@H]1[C@@H](COc2cccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.100n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US10174000 (2019)


BindingDB Entry DOI: 10.7270/Q27S7QWQ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50239500
PNG
(CHEMBL4066705)
Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@@H]1F |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 5521-5542 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00231
BindingDB Entry DOI: 10.7270/Q26D5W42
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50239499
PNG
(CHEMBL4081711)
Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PDB
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 5521-5542 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00231
BindingDB Entry DOI: 10.7270/Q26D5W42
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50239498
PNG
(CHEMBL4093120)
Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@@H](F)[C@H]3C)nccc2cc1C(N)=O |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 5521-5542 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00231
BindingDB Entry DOI: 10.7270/Q26D5W42
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM319574
PNG
(4-(((2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-...)
Show SMILES CC[C@H]1[C@@H](COc2cncc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US10174000 (2019)


BindingDB Entry DOI: 10.7270/Q27S7QWQ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50239507
PNG
(CHEMBL4091434)
Show SMILES CC[C@@H]1CC(=O)N[C@@H]1COc1nccc2cc(C(N)=O)c(OC)cc12 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 5521-5542 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00231
BindingDB Entry DOI: 10.7270/Q26D5W42
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM319564
PNG
(4-Amino-1-{[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrro...)
Show SMILES CC[C@H]1[C@@H](COc2ncc(N)c3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.5n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US10174000 (2019)


BindingDB Entry DOI: 10.7270/Q27S7QWQ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50239508
PNG
(CHEMBL4085199)
Show SMILES [H][C@]12[C@H](C)[C@@]1(F)C(=O)N[C@@H]2COc1nccc2cc(C(N)=O)c(OC)cc12 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 5521-5542 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00231
BindingDB Entry DOI: 10.7270/Q26D5W42
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM319568
PNG
(1-(((4S,7S)-7-fluoro-6-oxo-5-azaspiro[2.4]heptan-4...)
Show SMILES CC(C)Oc1cc2c(OC[C@H]3NC(=O)[C@@H](F)C33CC3)nccc2cc1C(N)=O |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.600n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US10174000 (2019)


BindingDB Entry DOI: 10.7270/Q27S7QWQ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM319572
PNG
(1-(((4S,7S)-7-fluoro-6-oxo-5-azaspiro[2.4]heptan-4...)
Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@@H](F)C33CC3)nccc2cc1C(N)=O |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.800n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US10174000 (2019)


BindingDB Entry DOI: 10.7270/Q27S7QWQ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM319575
PNG
(5-(((2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-...)
Show SMILES CC[C@H]1[C@@H](COc2cccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.800n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US10174000 (2019)


BindingDB Entry DOI: 10.7270/Q27S7QWQ
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 322 total )  |  Next  |  Last  >>
Jump to: