BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 50 hits with Last Name = 'torr' 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
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50035179
PNG
(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Show SMILES COc1ccc2cccc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
US Patent
0.0420n/an/an/an/an/an/an/an/a


TBA

Assay Description
The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24Q7Z44
More data for this
Ligand-Target Pair
Metallothionein-2


(Human)
BDBM50035179
PNG
(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Show SMILES COc1ccc2cccc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

US Patent
0.0420n/an/an/an/an/an/an/an/a



ACHÉ LABORATÓRIOS FARMACÊUTICOS S.A.

US Patent


Assay Description
The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...


US Patent US10781182 (2020)


BindingDB Entry DOI: 10.7270/Q2JH3Q7Q
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50035179
PNG
(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Show SMILES COc1ccc2cccc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
PDB
US Patent
0.200n/an/an/an/an/an/an/an/a


TBA

Assay Description
The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24Q7Z44
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50035179
PNG
(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Show SMILES COc1ccc2cccc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
PDB
US Patent
0.200n/an/an/an/an/an/an/an/a



ACHÉ LABORATÓRIOS FARMACÊUTICOS S.A.

US Patent


Assay Description
The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...


US Patent US10781182 (2020)


BindingDB Entry DOI: 10.7270/Q2JH3Q7Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM463447
PNG
(US10781182, Compound IA2-143 | US11091445, Compoun...)
Show SMILES COc1nc2cc(Cl)c(OC)cc2n1CCNC(C)=O
Show InChI InChI=1S/C13H16ClN3O3/c1-8(18)15-4-5-17-11-7-12(19-2)9(14)6-10(11)16-13(17)20-3/h6-7H,4-5H2,1-3H3,(H,15,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
US Patent
0.800n/an/an/an/an/an/an/an/a


TBA

Assay Description
The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24Q7Z44
More data for this
Ligand-Target Pair
Metallothionein-2


(Human)
BDBM463447
PNG
(US10781182, Compound IA2-143 | US11091445, Compoun...)
Show SMILES COc1nc2cc(Cl)c(OC)cc2n1CCNC(C)=O
Show InChI InChI=1S/C13H16ClN3O3/c1-8(18)15-4-5-17-11-7-12(19-2)9(14)6-10(11)16-13(17)20-3/h6-7H,4-5H2,1-3H3,(H,15,18)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
US Patent
0.800n/an/an/an/an/an/an/an/a



ACHÉ LABORATÓRIOS FARMACÊUTICOS S.A.

US Patent


Assay Description
The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...


US Patent US10781182 (2020)


BindingDB Entry DOI: 10.7270/Q2JH3Q7Q
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM463444
PNG
(US10781182, Compound IA2-121 | US11091445, Compoun...)
Show SMILES CCOc1nc2cc(Cl)c(OC)cc2n1CCNC(C)=O
Show InChI InChI=1S/C14H18ClN3O3/c1-4-21-14-17-11-7-10(15)13(20-3)8-12(11)18(14)6-5-16-9(2)19/h7-8H,4-6H2,1-3H3,(H,16,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.880n/an/an/an/an/an/an/an/a


TBA

Assay Description
The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24Q7Z44
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM463444
PNG
(US10781182, Compound IA2-121 | US11091445, Compoun...)
Show SMILES CCOc1nc2cc(Cl)c(OC)cc2n1CCNC(C)=O
Show InChI InChI=1S/C14H18ClN3O3/c1-4-21-14-17-11-7-10(15)13(20-3)8-12(11)18(14)6-5-16-9(2)19/h7-8H,4-6H2,1-3H3,(H,16,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.880n/an/an/an/an/an/an/an/a



ACHÉ LABORATÓRIOS FARMACÊUTICOS S.A.

US Patent


Assay Description
The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...


US Patent US10781182 (2020)


BindingDB Entry DOI: 10.7270/Q2JH3Q7Q
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM463444
PNG
(US10781182, Compound IA2-121 | US11091445, Compoun...)
Show SMILES CCOc1nc2cc(Cl)c(OC)cc2n1CCNC(C)=O
Show InChI InChI=1S/C14H18ClN3O3/c1-4-21-14-17-11-7-10(15)13(20-3)8-12(11)18(14)6-5-16-9(2)19/h7-8H,4-6H2,1-3H3,(H,16,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.930n/an/an/an/an/an/an/an/a


TBA

Assay Description
The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24Q7Z44
More data for this
Ligand-Target Pair
Metallothionein-2


(Human)
BDBM463444
PNG
(US10781182, Compound IA2-121 | US11091445, Compoun...)
Show SMILES CCOc1nc2cc(Cl)c(OC)cc2n1CCNC(C)=O
Show InChI InChI=1S/C14H18ClN3O3/c1-4-21-14-17-11-7-10(15)13(20-3)8-12(11)18(14)6-5-16-9(2)19/h7-8H,4-6H2,1-3H3,(H,16,19)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.930n/an/an/an/an/an/an/an/a



ACHÉ LABORATÓRIOS FARMACÊUTICOS S.A.

US Patent


Assay Description
The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...


US Patent US10781182 (2020)


BindingDB Entry DOI: 10.7270/Q2JH3Q7Q
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM463443
PNG
(US10781182, Compound IA2-120 | US11091445, Compoun...)
Show SMILES CCOc1nc2ccc(OC)cc2n1CCCNC(C)=O
Show InChI InChI=1S/C15H21N3O3/c1-4-21-15-17-13-7-6-12(20-3)10-14(13)18(15)9-5-8-16-11(2)19/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24Q7Z44
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM463443
PNG
(US10781182, Compound IA2-120 | US11091445, Compoun...)
Show SMILES CCOc1nc2ccc(OC)cc2n1CCCNC(C)=O
Show InChI InChI=1S/C15H21N3O3/c1-4-21-15-17-13-7-6-12(20-3)10-14(13)18(15)9-5-8-16-11(2)19/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.10n/an/an/an/an/an/an/an/a



ACHÉ LABORATÓRIOS FARMACÊUTICOS S.A.

US Patent


Assay Description
The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...


US Patent US10781182 (2020)


BindingDB Entry DOI: 10.7270/Q2JH3Q7Q
More data for this
Ligand-Target Pair
Metallothionein-2


(Human)
BDBM463446
PNG
(US10781182, Compound IA2-142 | US11091445, Compoun...)
Show SMILES CCOc1nc2cc(Cl)c(OC)cc2n1CCCNC(C)=O
Show InChI InChI=1S/C15H20ClN3O3/c1-4-22-15-18-12-8-11(16)14(21-3)9-13(12)19(15)7-5-6-17-10(2)20/h8-9H,4-7H2,1-3H3,(H,17,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.60n/an/an/an/an/an/an/an/a



ACHÉ LABORATÓRIOS FARMACÊUTICOS S.A.

US Patent


Assay Description
The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...


US Patent US10781182 (2020)


BindingDB Entry DOI: 10.7270/Q2JH3Q7Q
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM463446
PNG
(US10781182, Compound IA2-142 | US11091445, Compoun...)
Show SMILES CCOc1nc2cc(Cl)c(OC)cc2n1CCCNC(C)=O
Show InChI InChI=1S/C15H20ClN3O3/c1-4-22-15-18-12-8-11(16)14(21-3)9-13(12)19(15)7-5-6-17-10(2)20/h8-9H,4-7H2,1-3H3,(H,17,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24Q7Z44
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM463447
PNG
(US10781182, Compound IA2-143 | US11091445, Compoun...)
Show SMILES COc1nc2cc(Cl)c(OC)cc2n1CCNC(C)=O
Show InChI InChI=1S/C13H16ClN3O3/c1-8(18)15-4-5-17-11-7-12(19-2)9(14)6-10(11)16-13(17)20-3/h6-7H,4-5H2,1-3H3,(H,15,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
US Patent
2.10n/an/an/an/an/an/an/an/a



ACHÉ LABORATÓRIOS FARMACÊUTICOS S.A.

US Patent


Assay Description
The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...


US Patent US10781182 (2020)


BindingDB Entry DOI: 10.7270/Q2JH3Q7Q
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM463447
PNG
(US10781182, Compound IA2-143 | US11091445, Compoun...)
Show SMILES COc1nc2cc(Cl)c(OC)cc2n1CCNC(C)=O
Show InChI InChI=1S/C13H16ClN3O3/c1-8(18)15-4-5-17-11-7-12(19-2)9(14)6-10(11)16-13(17)20-3/h6-7H,4-5H2,1-3H3,(H,15,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
US Patent
2.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24Q7Z44
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM463445
PNG
(US10781182, Compound IA2-140 | US11091445, Compoun...)
Show SMILES COc1nc2ccc(OC)cc2n1CCCNC(C)=O
Show InChI InChI=1S/C14H19N3O3/c1-10(18)15-7-4-8-17-13-9-11(19-2)5-6-12(13)16-14(17)20-3/h5-6,9H,4,7-8H2,1-3H3,(H,15,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24Q7Z44
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM463445
PNG
(US10781182, Compound IA2-140 | US11091445, Compoun...)
Show SMILES COc1nc2ccc(OC)cc2n1CCCNC(C)=O
Show InChI InChI=1S/C14H19N3O3/c1-10(18)15-7-4-8-17-13-9-11(19-2)5-6-12(13)16-14(17)20-3/h5-6,9H,4,7-8H2,1-3H3,(H,15,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.20n/an/an/an/an/an/an/an/a



ACHÉ LABORATÓRIOS FARMACÊUTICOS S.A.

US Patent


Assay Description
The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...


US Patent US10781182 (2020)


BindingDB Entry DOI: 10.7270/Q2JH3Q7Q
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM463443
PNG
(US10781182, Compound IA2-120 | US11091445, Compoun...)
Show SMILES CCOc1nc2ccc(OC)cc2n1CCCNC(C)=O
Show InChI InChI=1S/C15H21N3O3/c1-4-21-15-17-13-7-6-12(20-3)10-14(13)18(15)9-5-8-16-11(2)19/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
4.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24Q7Z44
More data for this
Ligand-Target Pair
Metallothionein-2


(Human)
BDBM463443
PNG
(US10781182, Compound IA2-120 | US11091445, Compoun...)
Show SMILES CCOc1nc2ccc(OC)cc2n1CCCNC(C)=O
Show InChI InChI=1S/C15H21N3O3/c1-4-21-15-17-13-7-6-12(20-3)10-14(13)18(15)9-5-8-16-11(2)19/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,19)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
4.5n/an/an/an/an/an/an/an/a



ACHÉ LABORATÓRIOS FARMACÊUTICOS S.A.

US Patent


Assay Description
The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...


US Patent US10781182 (2020)


BindingDB Entry DOI: 10.7270/Q2JH3Q7Q
More data for this
Ligand-Target Pair
Metallothionein-2


(Human)
BDBM463445
PNG
(US10781182, Compound IA2-140 | US11091445, Compoun...)
Show SMILES COc1nc2ccc(OC)cc2n1CCCNC(C)=O
Show InChI InChI=1S/C14H19N3O3/c1-10(18)15-7-4-8-17-13-9-11(19-2)5-6-12(13)16-14(17)20-3/h5-6,9H,4,7-8H2,1-3H3,(H,15,18)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
11n/an/an/an/an/an/an/an/a



ACHÉ LABORATÓRIOS FARMACÊUTICOS S.A.

US Patent


Assay Description
The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...


US Patent US10781182 (2020)


BindingDB Entry DOI: 10.7270/Q2JH3Q7Q
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM463445
PNG
(US10781182, Compound IA2-140 | US11091445, Compoun...)
Show SMILES COc1nc2ccc(OC)cc2n1CCCNC(C)=O
Show InChI InChI=1S/C14H19N3O3/c1-10(18)15-7-4-8-17-13-9-11(19-2)5-6-12(13)16-14(17)20-3/h5-6,9H,4,7-8H2,1-3H3,(H,15,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
11n/an/an/an/an/an/an/an/a


TBA

Assay Description
The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24Q7Z44
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM463446
PNG
(US10781182, Compound IA2-142 | US11091445, Compoun...)
Show SMILES CCOc1nc2cc(Cl)c(OC)cc2n1CCCNC(C)=O
Show InChI InChI=1S/C15H20ClN3O3/c1-4-22-15-18-12-8-11(16)14(21-3)9-13(12)19(15)7-5-6-17-10(2)20/h8-9H,4-7H2,1-3H3,(H,17,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
13n/an/an/an/an/an/an/an/a



ACHÉ LABORATÓRIOS FARMACÊUTICOS S.A.

US Patent


Assay Description
The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...


US Patent US10781182 (2020)


BindingDB Entry DOI: 10.7270/Q2JH3Q7Q
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM463446
PNG
(US10781182, Compound IA2-142 | US11091445, Compoun...)
Show SMILES CCOc1nc2cc(Cl)c(OC)cc2n1CCCNC(C)=O
Show InChI InChI=1S/C15H20ClN3O3/c1-4-22-15-18-12-8-11(16)14(21-3)9-13(12)19(15)7-5-6-17-10(2)20/h8-9H,4-7H2,1-3H3,(H,17,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
13n/an/an/an/an/an/an/an/a


TBA

Assay Description
The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24Q7Z44
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM81346
PNG
(CHEMBL538798 | M9440 (Me-3,4-dephostatin))
Show SMILES CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1
Show InChI InChI=1S/C23H25NO/c1-18(2)24(17-19-8-4-3-5-9-19)15-14-23(25)22-13-12-20-10-6-7-11-21(20)16-22/h3-13,16,18H,14-15,17H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 79.4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibition of Janus kinase 3.


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM85122
PNG
(Thr1 inhibitor, 1)
Show SMILES C=CC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C13H10O/c1-2-13(14)12-8-7-10-5-3-4-6-11(10)9-12/h2-9H,1H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 79.4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibition of Janus kinase 3.


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50421427
PNG
(CHEMBL543228)
Show SMILES O=C(CCN1CCOCC1)c1ccc2ccc3ccccc3c2c1
Show InChI InChI=1S/C21H21NO2/c23-21(9-10-22-11-13-24-14-12-22)18-8-7-17-6-5-16-3-1-2-4-19(16)20(17)15-18/h1-8,15H,9-14H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 501n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibition of Janus kinase 3.


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50421417
PNG
(CHEMBL541346)
Show SMILES CN(C)CCC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C15H17NO/c1-16(2)10-9-15(17)14-8-7-12-5-3-4-6-13(12)11-14/h3-8,11H,9-10H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 630n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibition of Janus kinase 3.


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50421425
PNG
(CHEMBL544872)
Show SMILES O=C(CCN1CCCCCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H23NO/c21-19(11-14-20-12-5-1-2-6-13-20)18-10-9-16-7-3-4-8-17(16)15-18/h3-4,7-10,15H,1-2,5-6,11-14H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 794n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibition of Janus kinase 3.


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50421423
PNG
(CHEMBL543939)
Show SMILES O=C(CCN1CCOCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C17H19NO2/c19-17(7-8-18-9-11-20-12-10-18)16-6-5-14-3-1-2-4-15(14)13-16/h1-6,13H,7-12H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibition of Janus kinase 3.


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM81346
PNG
(CHEMBL538798 | M9440 (Me-3,4-dephostatin))
Show SMILES CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1
Show InChI InChI=1S/C23H25NO/c1-18(2)24(17-19-8-4-3-5-9-19)15-14-23(25)22-13-12-20-10-6-7-11-21(20)16-22/h3-13,16,18H,14-15,17H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 2.51E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Epidermal growth factor receptor


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50421426
PNG
(CHEMBL552585)
Show SMILES O=C(CCN1CCOCC1)c1cccc2ccccc12
Show InChI InChI=1S/C17H19NO2/c19-17(8-9-18-10-12-20-13-11-18)16-7-3-5-14-4-1-2-6-15(14)16/h1-7H,8-13H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.16E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibition of Janus kinase 3.


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM85122
PNG
(Thr1 inhibitor, 1)
Show SMILES C=CC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C13H10O/c1-2-13(14)12-8-7-10-5-3-4-6-11(10)9-12/h2-9H,1H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM81346
PNG
(CHEMBL538798 | M9440 (Me-3,4-dephostatin))
Show SMILES CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1
Show InChI InChI=1S/C23H25NO/c1-18(2)24(17-19-8-4-3-5-9-19)15-14-23(25)22-13-12-20-10-6-7-11-21(20)16-22/h3-13,16,18H,14-15,17H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Cyclin-dependent kinase 4


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM85122
PNG
(Thr1 inhibitor, 1)
Show SMILES C=CC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C13H10O/c1-2-13(14)12-8-7-10-5-3-4-6-11(10)9-12/h2-9H,1H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Epidermal growth factor receptor


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM81346
PNG
(CHEMBL538798 | M9440 (Me-3,4-dephostatin))
Show SMILES CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1
Show InChI InChI=1S/C23H25NO/c1-18(2)24(17-19-8-4-3-5-9-19)15-14-23(25)22-13-12-20-10-6-7-11-21(20)16-22/h3-13,16,18H,14-15,17H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM85122
PNG
(Thr1 inhibitor, 1)
Show SMILES C=CC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C13H10O/c1-2-13(14)12-8-7-10-5-3-4-6-11(10)9-12/h2-9H,1H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Cyclin-dependent kinase 4


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50421420
PNG
(CHEMBL225385)
Show SMILES Clc1ccccc1C=CC(=O)CCN1CCOCC1 |w:7.7|
Show InChI InChI=1S/C15H18ClNO2/c16-15-4-2-1-3-13(15)5-6-14(18)7-8-17-9-11-19-12-10-17/h1-6H,7-12H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.26E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibition of Janus kinase 3.


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50421422
PNG
(CHEMBL543226)
Show SMILES CC(=Cc1ccccc1)C(=O)CCN1CCOCC1 |w:2.2|
Show InChI InChI=1S/C16H21NO2/c1-14(13-15-5-3-2-4-6-15)16(18)7-8-17-9-11-19-12-10-17/h2-6,13H,7-12H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.26E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibition of Janus kinase 3.


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM4313
PNG
((2E)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)NCc2ccccc2)cc1O
Show InChI InChI=1S/C17H14N2O3/c18-10-14(8-13-6-7-15(20)16(21)9-13)17(22)19-11-12-4-2-1-3-5-12/h1-9,20-21H,11H2,(H,19,22)/b14-8+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 1.26E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibition of Janus kinase 3.


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50421418
PNG
(CHEMBL542522)
Show SMILES COc1ccc2cc(ccc2c1)C(=O)CCN1CCOCC1
Show InChI InChI=1S/C18H21NO3/c1-21-17-5-4-14-12-16(3-2-15(14)13-17)18(20)6-7-19-8-10-22-11-9-19/h2-5,12-13H,6-11H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.58E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibition of Janus kinase 3.


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM85122
PNG
(Thr1 inhibitor, 1)
Show SMILES C=CC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C13H10O/c1-2-13(14)12-8-7-10-5-3-4-6-11(10)9-12/h2-9H,1H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Janus kinase 1


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM81346
PNG
(CHEMBL538798 | M9440 (Me-3,4-dephostatin))
Show SMILES CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1
Show InChI InChI=1S/C23H25NO/c1-18(2)24(17-19-8-4-3-5-9-19)15-14-23(25)22-13-12-20-10-6-7-11-21(20)16-22/h3-13,16,18H,14-15,17H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 3.98E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Janus kinase 1


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50421424
PNG
(CHEMBL542762)
Show SMILES COc1cc2ccc(cc2cc1OC)C(=O)CCN1CCOCC1
Show InChI InChI=1S/C19H23NO4/c1-22-18-12-14-3-4-15(11-16(14)13-19(18)23-2)17(21)5-6-20-7-9-24-10-8-20/h3-4,11-13H,5-10H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 2.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibition of Janus kinase 3.


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50421421
PNG
(CHEMBL154693)
Show SMILES OC(C=C)c1ccc2ccccc2c1
Show InChI InChI=1S/C13H12O/c1-2-13(14)12-8-7-10-5-3-4-6-11(10)9-12/h2-9,13-14H,1H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5.01E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibition of Janus kinase 3.


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50218574
PNG
(CHEMBL540593)
Show SMILES Cl.O=C(CCNCc1ccccc1)c1ccc2ccccc2c1
Show InChI InChI=1S/C20H19NO/c22-20(12-13-21-15-16-6-2-1-3-7-16)19-11-10-17-8-4-5-9-18(17)14-19/h1-11,14,21H,12-13,15H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibition of Janus kinase 3.


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50218572
PNG
(CHEMBL154877)
Show SMILES O=C(CCCN1CCOCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C18H21NO2/c20-18(6-3-9-19-10-12-21-13-11-19)17-8-7-15-4-1-2-5-16(15)14-17/h1-2,4-5,7-8,14H,3,6,9-13H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibition of Janus kinase 3.


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50218573
PNG
(CHEMBL542023)
Show SMILES Cl.O=c1c(CN2CCOCC2)coc2cc3ccccc3cc12
Show InChI InChI=1S/C18H17NO3/c20-18-15(11-19-5-7-21-8-6-19)12-22-17-10-14-4-2-1-3-13(14)9-16(17)18/h1-4,9-10,12H,5-8,11H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibition of Janus kinase 3.


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50218575
PNG
(CHEMBL544174)
Show SMILES Cl.O\N=C(\CCN1CCOCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C17H20N2O2/c20-18-17(7-8-19-9-11-21-12-10-19)16-6-5-14-3-1-2-4-15(14)13-16/h1-6,13,20H,7-12H2/b18-17-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibition of Janus kinase 3.


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50218571
PNG
(CHEMBL541100)
Show SMILES Cl.CC(C)(CN1CCOCC1)C(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H23NO2/c1-19(2,14-20-9-11-22-12-10-20)18(21)17-8-7-15-5-3-4-6-16(15)13-17/h3-8,13H,9-12,14H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibition of Janus kinase 3.


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair