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

Found 221 hits with Last Name = 'fex' and Initial = 't'   
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50331670
PNG
(CHEMBL1289648)
Show SMILES Clc1ccc2CCNCCCNC[C@H](Cc3ccccc3)Nc3ncc(Cl)n(CC(=O)NCc2c1)c3=O |r|
Show InChI InChI=1S/C27H32Cl2N6O2/c28-22-8-7-20-9-12-30-10-4-11-31-16-23(13-19-5-2-1-3-6-19)34-26-27(37)35(24(29)17-33-26)18-25(36)32-15-21(20)14-22/h1-3,5-8,14,17,23,30-31H,4,9-13,15-16,18H2,(H,32,36)(H,33,34)/t23-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.0900n/an/an/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
Inhibition of factor 2a


Bioorg Med Chem Lett 20: 6925-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.141
BindingDB Entry DOI: 10.7270/Q237790B
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50331669
PNG
((6R,21AS)-17-CHLORO-6-CYCLOHEXYL-2,3,6,7,10,11,19,...)
Show SMILES Clc1ccc2OCC(=O)NCCC(=O)N[C@H](C3CCCCC3)C(=O)N3CCC[C@H]3C(=O)NCc2c1 |r|
Show InChI InChI=1S/C25H33ClN4O5/c26-18-8-9-20-17(13-18)14-28-24(33)19-7-4-12-30(19)25(34)23(16-5-2-1-3-6-16)29-21(31)10-11-27-22(32)15-35-20/h8-9,13,16,19,23H,1-7,10-12,14-15H2,(H,27,32)(H,28,33)(H,29,31)/t19-,23+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
1.30n/an/an/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
Inhibition of factor 2a


Bioorg Med Chem Lett 20: 6925-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.141
BindingDB Entry DOI: 10.7270/Q237790B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM29388
PNG
(Exanta | Melagatran)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](NCC(O)=O)C2CCCCC2)cc1
Show InChI InChI=1S/C22H31N5O4/c23-20(24)16-8-6-14(7-9-16)12-26-21(30)17-10-11-27(17)22(31)19(25-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,19+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



University of Kalmar



Assay Description
The thrombin inhibitor potency (IC50) was measured with a chromogenic substrate method in a robotic microplate processor, using 96-well, half-volume ...


J Med Chem 52: 2708-15 (2009)


Article DOI: 10.1021/jm8011849
BindingDB Entry DOI: 10.7270/Q2H130B7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GPR103


(Homo sapiens (Human))
BDBM50020015
PNG
(CHEMBL3287814)
Show SMILES COc1ccc(NC(=N)c2ccc(Cl)cc2)cc1CSC1CCCC1
Show InChI InChI=1S/C20H23ClN2OS/c1-24-19-11-10-17(12-15(19)13-25-18-4-2-3-5-18)23-20(22)14-6-8-16(21)9-7-14/h6-12,18H,2-5,13H2,1H3,(H2,22,23)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020011
PNG
(CHEMBL3287810)
Show SMILES COc1ccc(NC(=N)c2ccccc2)cc1CSC1CCCC1
Show InChI InChI=1S/C20H24N2OS/c1-23-19-12-11-17(22-20(21)15-7-3-2-4-8-15)13-16(19)14-24-18-9-5-6-10-18/h2-4,7-8,11-13,18H,5-6,9-10,14H2,1H3,(H2,21,22)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020014
PNG
(CHEMBL3287813)
Show SMILES COc1ccc(NC(=N)c2ccc(Br)s2)cc1CSC1CCCC1
Show InChI InChI=1S/C18H21BrN2OS2/c1-22-15-7-6-13(21-18(20)16-8-9-17(19)24-16)10-12(15)11-23-14-4-2-3-5-14/h6-10,14H,2-5,11H2,1H3,(H2,20,21)
UniProtKB/SwissProt

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



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020011
PNG
(CHEMBL3287810)
Show SMILES COc1ccc(NC(=N)c2ccccc2)cc1CSC1CCCC1
Show InChI InChI=1S/C20H24N2OS/c1-23-19-12-11-17(22-20(21)15-7-3-2-4-8-15)13-16(19)14-24-18-9-5-6-10-18/h2-4,7-8,11-13,18H,5-6,9-10,14H2,1H3,(H2,21,22)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-QRFP43 from human GPR103 receptor overexpressed in HEK membranes after 90 mins by liquid scintillation counting


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020015
PNG
(CHEMBL3287814)
Show SMILES COc1ccc(NC(=N)c2ccc(Cl)cc2)cc1CSC1CCCC1
Show InChI InChI=1S/C20H23ClN2OS/c1-24-19-11-10-17(12-15(19)13-25-18-4-2-3-5-18)23-20(22)14-6-8-16(21)9-7-14/h6-12,18H,2-5,13H2,1H3,(H2,22,23)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-QRFP43 from human GPR103 receptor overexpressed in HEK membranes after 90 mins by liquid scintillation counting


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50019982
PNG
(CHEMBL3287584)
Show SMILES COc1ccc(NC(=N)c2cccs2)cc1CSC1CCCC1
Show InChI InChI=1S/C18H22N2OS2/c1-21-16-9-8-14(20-18(19)17-7-4-10-22-17)11-13(16)12-23-15-5-2-3-6-15/h4,7-11,15H,2-3,5-6,12H2,1H3,(H2,19,20)
UniProtKB/SwissProt

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



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020012
PNG
(CHEMBL3287811)
Show SMILES COc1ccc(NC(=N)c2cc(C)cs2)cc1CSC1CCCC1
Show InChI InChI=1S/C19H24N2OS2/c1-13-9-18(24-11-13)19(20)21-15-7-8-17(22-2)14(10-15)12-23-16-5-3-4-6-16/h7-11,16H,3-6,12H2,1-2H3,(H2,20,21)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 63n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50019983
PNG
(CHEMBL3287585)
Show SMILES COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(OC)c2C[C@@H](CCc12)N(C)C |r|
Show InChI InChI=1S/C20H25ClN2O4S/c1-23(2)14-6-7-15-16(12-14)18(26-3)9-10-20(15)28(24,25)22-17-11-13(21)5-8-19(17)27-4/h5,8-11,14,22H,6-7,12H2,1-4H3/t14-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 79n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-QRFP43 from human GPR103 receptor overexpressed in HEK membranes after 90 mins by liquid scintillation counting


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50019983
PNG
(CHEMBL3287585)
Show SMILES COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(OC)c2C[C@@H](CCc12)N(C)C |r|
Show InChI InChI=1S/C20H25ClN2O4S/c1-23(2)14-6-7-15-16(12-14)18(26-3)9-10-20(15)28(24,25)22-17-11-13(21)5-8-19(17)27-4/h5,8-11,14,22H,6-7,12H2,1-4H3/t14-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 79n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50425106
PNG
(CHEMBL2312931)
Show SMILES Clc1cc(Cl)cc(c1)-c1ncccc1CNP(=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H19Cl2N2OP/c25-20-14-19(15-21(26)16-20)24-18(8-7-13-27-24)17-28-30(29,22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-16H,17H2,(H,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 80n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by high throughput planar patch clamp assay


Bioorg Med Chem Lett 23: 706-10 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.098
BindingDB Entry DOI: 10.7270/Q2H133BG
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020012
PNG
(CHEMBL3287811)
Show SMILES COc1ccc(NC(=N)c2cc(C)cs2)cc1CSC1CCCC1
Show InChI InChI=1S/C19H24N2OS2/c1-13-9-18(24-11-13)19(20)21-15-7-8-17(22-2)14(10-15)12-23-16-5-3-4-6-16/h7-11,16H,3-6,12H2,1-2H3,(H2,20,21)
UniProtKB/SwissProt

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



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-QRFP43 from human GPR103 receptor overexpressed in HEK membranes after 90 mins by liquid scintillation counting


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50425111
PNG
(CHEMBL2312926 | Rac-3-((Diphenylphosphoryl)(Phenyl...)
Show SMILES O=P(C(c1ccccc1)c1cccnc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H20NOP/c26-27(22-14-6-2-7-15-22,23-16-8-3-9-17-23)24(20-11-4-1-5-12-20)21-13-10-18-25-19-21/h1-19,24H
PDB

UniProtKB/SwissProt

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



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by high throughput planar patch clamp assay


Bioorg Med Chem Lett 23: 706-10 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.098
BindingDB Entry DOI: 10.7270/Q2H133BG
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020010
PNG
(CHEMBL3287586)
Show SMILES COc1ccc(NC(=N)c2ccsc2)cc1CSC1CCCC1
Show InChI InChI=1S/C18H22N2OS2/c1-21-17-7-6-15(20-18(19)13-8-9-22-11-13)10-14(17)12-23-16-4-2-3-5-16/h6-11,16H,2-5,12H2,1H3,(H2,19,20)
UniProtKB/SwissProt

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



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50425104
PNG
(CHEMBL2312933)
Show SMILES CCCN(c1cccnc1)P(=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H21N2OP/c1-2-16-22(18-10-9-15-21-17-18)24(23,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-15,17H,2,16H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 120n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by high throughput planar patch clamp assay


Bioorg Med Chem Lett 23: 706-10 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.098
BindingDB Entry DOI: 10.7270/Q2H133BG
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020014
PNG
(CHEMBL3287813)
Show SMILES COc1ccc(NC(=N)c2ccc(Br)s2)cc1CSC1CCCC1
Show InChI InChI=1S/C18H21BrN2OS2/c1-22-15-7-6-13(21-18(20)16-8-9-17(19)24-16)10-12(15)11-23-14-4-2-3-5-14/h6-10,14H,2-5,11H2,1H3,(H2,20,21)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 126n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-QRFP43 from human GPR103 receptor overexpressed in HEK membranes after 90 mins by liquid scintillation counting


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020010
PNG
(CHEMBL3287586)
Show SMILES COc1ccc(NC(=N)c2ccsc2)cc1CSC1CCCC1
Show InChI InChI=1S/C18H22N2OS2/c1-21-17-7-6-15(20-18(19)13-8-9-22-11-13)10-14(17)12-23-16-4-2-3-5-16/h6-11,16H,2-5,12H2,1H3,(H2,19,20)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 126n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-QRFP43 from human GPR103 receptor overexpressed in HEK membranes after 90 mins by liquid scintillation counting


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50425110
PNG
(CHEMBL2312927)
Show SMILES O=P(C(N1CCCCC1)c1cccnc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H25N2OP/c26-27(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23(20-11-10-16-24-19-20)25-17-8-3-9-18-25/h1-2,4-7,10-16,19,23H,3,8-9,17-18H2
PDB

UniProtKB/SwissProt

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



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by high throughput planar patch clamp assay


Bioorg Med Chem Lett 23: 706-10 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.098
BindingDB Entry DOI: 10.7270/Q2H133BG
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020013
PNG
(CHEMBL3287812)
Show SMILES COc1ccc(NC(=N)c2cc(Br)cs2)cc1CSC1CCCC1
Show InChI InChI=1S/C18H21BrN2OS2/c1-22-16-7-6-14(21-18(20)17-9-13(19)11-24-17)8-12(16)10-23-15-4-2-3-5-15/h6-9,11,15H,2-5,10H2,1H3,(H2,20,21)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 158n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50019982
PNG
(CHEMBL3287584)
Show SMILES COc1ccc(NC(=N)c2cccs2)cc1CSC1CCCC1
Show InChI InChI=1S/C18H22N2OS2/c1-21-16-9-8-14(20-18(19)17-7-4-10-22-17)11-13(16)12-23-15-5-2-3-6-15/h4,7-11,15H,2-3,5-6,12H2,1H3,(H2,19,20)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 158n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-QRFP43 from human GPR103 receptor overexpressed in HEK membranes after 90 mins by liquid scintillation counting


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50425112
PNG
(3,3''-((Diphenylphosphoryl)Methylene)Dipyridine | ...)
Show SMILES O=P(C(c1cccnc1)c1cccnc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H19N2OP/c26-27(21-11-3-1-4-12-21,22-13-5-2-6-14-22)23(19-9-7-15-24-17-19)20-10-8-16-25-18-20/h1-18,23H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 180n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by high throughput planar patch clamp assay


Bioorg Med Chem Lett 23: 706-10 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.098
BindingDB Entry DOI: 10.7270/Q2H133BG
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50019979
PNG
(CHEMBL3287833)
Show SMILES COc1ccc(NC(=N)c2ccccc2)cc1CCC1CCCC1
Show InChI InChI=1S/C21H26N2O/c1-24-20-14-13-19(23-21(22)17-9-3-2-4-10-17)15-18(20)12-11-16-7-5-6-8-16/h2-4,9-10,13-16H,5-8,11-12H2,1H3,(H2,22,23)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-QRFP43 from human GPR103 receptor overexpressed in HEK membranes after 90 mins by liquid scintillation counting


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50425094
PNG
(CHEMBL2312920)
Show SMILES CCCN(c1cccc(c1)C#N)P(=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H21N2OP/c1-2-16-24(20-11-9-10-19(17-20)18-23)26(25,21-12-5-3-6-13-21)22-14-7-4-8-15-22/h3-15,17H,2,16H2,1H3
PDB

UniProtKB/SwissProt

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



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by high throughput planar patch clamp assay


Bioorg Med Chem Lett 23: 706-10 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.098
BindingDB Entry DOI: 10.7270/Q2H133BG
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020022
PNG
(CHEMBL3287821)
Show SMILES COc1ccc(N\C(=N\C)c2cccs2)cc1CSC1CCCC1
Show InChI InChI=1S/C19H24N2OS2/c1-20-19(18-8-5-11-23-18)21-15-9-10-17(22-2)14(12-15)13-24-16-6-3-4-7-16/h5,8-12,16H,3-4,6-7,13H2,1-2H3,(H,20,21)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 251n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020020
PNG
(CHEMBL3287819)
Show SMILES COc1ccc(NC(=N)c2cccnc2)cc1CSC1CCCC1
Show InChI InChI=1S/C19H23N3OS/c1-23-18-9-8-16(22-19(20)14-5-4-10-21-12-14)11-15(18)13-24-17-6-2-3-7-17/h4-5,8-12,17H,2-3,6-7,13H2,1H3,(H2,20,22)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 251n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50020035
PNG
(CHEMBL3287849)
Show SMILES O=c1cc(o[nH]1)[C@H]1CCN[C@@H](Cc2ccccc2)C1 |r|
Show InChI InChI=1S/C15H18N2O2/c18-15-10-14(19-17-15)12-6-7-16-13(9-12)8-11-4-2-1-3-5-11/h1-5,10,12-13,16H,6-9H2,(H,17,18)/t12-,13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 280n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to full length Glu-plasminogen in human plasma assessed as inhibition of interaction with fibrin in presence of tPA


ACS Med Chem Lett 5: 538-43 (2014)


Article DOI: 10.1021/ml400526d
BindingDB Entry DOI: 10.7270/Q2QJ7JV4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GPR103


(Homo sapiens (Human))
BDBM50019979
PNG
(CHEMBL3287833)
Show SMILES COc1ccc(NC(=N)c2ccccc2)cc1CCC1CCCC1
Show InChI InChI=1S/C21H26N2O/c1-24-20-14-13-19(23-21(22)17-9-3-2-4-10-17)15-18(20)12-11-16-7-5-6-8-16/h2-4,9-10,13-16H,5-8,11-12H2,1H3,(H2,22,23)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50425108
PNG
(CHEMBL2312929)
Show SMILES Clc1cccc(c1)-c1ncccc1CNP(=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H20ClN2OP/c25-21-11-7-9-19(17-21)24-20(10-8-16-26-24)18-27-29(28,22-12-3-1-4-13-22)23-14-5-2-6-15-23/h1-17H,18H2,(H,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 330n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by high throughput planar patch clamp assay


Bioorg Med Chem Lett 23: 706-10 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.098
BindingDB Entry DOI: 10.7270/Q2H133BG
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50020042
PNG
(CHEMBL3287856)
Show SMILES Fc1cccc(C[C@H]2C[C@H](CCN2)c2cc(=O)[nH]o2)c1 |r|
Show InChI InChI=1S/C15H17FN2O2/c16-12-3-1-2-10(6-12)7-13-8-11(4-5-17-13)14-9-15(19)18-20-14/h1-3,6,9,11,13,17H,4-5,7-8H2,(H,18,19)/t11-,13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 360n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to full length Glu-plasminogen in human plasma assessed as inhibition of interaction with fibrin in presence of tPA


ACS Med Chem Lett 5: 538-43 (2014)


Article DOI: 10.1021/ml400526d
BindingDB Entry DOI: 10.7270/Q2QJ7JV4
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50020037
PNG
(CHEMBL3287854)
Show SMILES O=c1cc(o[nH]1)[C@H]1CCN[C@@H](CCc2ccccc2)C1 |r|
Show InChI InChI=1S/C16H20N2O2/c19-16-11-15(20-18-16)13-8-9-17-14(10-13)7-6-12-4-2-1-3-5-12/h1-5,11,13-14,17H,6-10H2,(H,18,19)/t13-,14-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 390n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to full length Glu-plasminogen in human plasma assessed as inhibition of interaction with fibrin in presence of tPA


ACS Med Chem Lett 5: 538-43 (2014)


Article DOI: 10.1021/ml400526d
BindingDB Entry DOI: 10.7270/Q2QJ7JV4
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50020036
PNG
(CHEMBL3287851)
Show SMILES CC(C)(C)C[C@H]1C[C@H](CCN1)c1cc(=O)[nH]o1 |r|
Show InChI InChI=1S/C13H22N2O2/c1-13(2,3)8-10-6-9(4-5-14-10)11-7-12(16)15-17-11/h7,9-10,14H,4-6,8H2,1-3H3,(H,15,16)/t9-,10+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 440n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to full length Glu-plasminogen in human plasma assessed as inhibition of interaction with fibrin in presence of tPA


ACS Med Chem Lett 5: 538-43 (2014)


Article DOI: 10.1021/ml400526d
BindingDB Entry DOI: 10.7270/Q2QJ7JV4
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50020043
PNG
(CHEMBL3287857)
Show SMILES Fc1ccc(C[C@H]2C[C@H](CCN2)c2cc(=O)[nH]o2)cc1 |r|
Show InChI InChI=1S/C15H17FN2O2/c16-12-3-1-10(2-4-12)7-13-8-11(5-6-17-13)14-9-15(19)18-20-14/h1-4,9,11,13,17H,5-8H2,(H,18,19)/t11-,13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 450n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to full length Glu-plasminogen in human plasma assessed as inhibition of interaction with fibrin in presence of tPA


ACS Med Chem Lett 5: 538-43 (2014)


Article DOI: 10.1021/ml400526d
BindingDB Entry DOI: 10.7270/Q2QJ7JV4
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM50425111
PNG
(CHEMBL2312926 | Rac-3-((Diphenylphosphoryl)(Phenyl...)
Show SMILES O=P(C(c1ccccc1)c1cccnc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H20NOP/c26-27(22-14-6-2-7-15-22,23-16-8-3-9-17-23)24(20-11-4-1-5-12-20)21-13-10-18-25-19-21/h1-19,24H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 500n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of IK channel (unknown origin)


Bioorg Med Chem Lett 23: 706-10 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.098
BindingDB Entry DOI: 10.7270/Q2H133BG
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50019976
PNG
(CHEMBL3287827)
Show SMILES Fc1ccc(NC(=N)c2cccs2)cc1CSC1CCCC1
Show InChI InChI=1S/C17H19FN2S2/c18-15-8-7-13(20-17(19)16-6-3-9-21-16)10-12(15)11-22-14-4-1-2-5-14/h3,6-10,14H,1-2,4-5,11H2,(H2,19,20)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 501n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020020
PNG
(CHEMBL3287819)
Show SMILES COc1ccc(NC(=N)c2cccnc2)cc1CSC1CCCC1
Show InChI InChI=1S/C19H23N3OS/c1-23-18-9-8-16(22-19(20)14-5-4-10-21-12-14)11-15(18)13-24-17-6-2-3-7-17/h4-5,8-12,17H,2-3,6-7,13H2,1H3,(H2,20,22)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 501n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-QRFP43 from human GPR103 receptor overexpressed in HEK membranes after 90 mins by liquid scintillation counting


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50425101
PNG
(CHEMBL2313226)
Show SMILES O=P(N(Cc1ccccn1)c1cccnc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H20N3OP/c27-28(22-12-3-1-4-13-22,23-14-5-2-6-15-23)26(21-11-9-16-24-18-21)19-20-10-7-8-17-25-20/h1-18H,19H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 530n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by high throughput planar patch clamp assay


Bioorg Med Chem Lett 23: 706-10 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.098
BindingDB Entry DOI: 10.7270/Q2H133BG
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50425107
PNG
(CHEMBL2312930)
Show SMILES O=P(NCc1cccnc1-c1cccc(c1)C#N)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H20N3OP/c26-18-20-9-7-10-21(17-20)25-22(11-8-16-27-25)19-28-30(29,23-12-3-1-4-13-23)24-14-5-2-6-15-24/h1-17H,19H2,(H,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 540n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by high throughput planar patch clamp assay


Bioorg Med Chem Lett 23: 706-10 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.098
BindingDB Entry DOI: 10.7270/Q2H133BG
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50020033
PNG
(CHEMBL3287847)
Show SMILES O=c1cc(o[nH]1)[C@H]1CCN[C@H](Cc2ccccc2)C1 |r|
Show InChI InChI=1S/C15H18N2O2/c18-15-10-14(19-17-15)12-6-7-16-13(9-12)8-11-4-2-1-3-5-11/h1-5,10,12-13,16H,6-9H2,(H,17,18)/t12-,13+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 580n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to full length Glu-plasminogen in human plasma assessed as inhibition of interaction with fibrin in presence of tPA


ACS Med Chem Lett 5: 538-43 (2014)


Article DOI: 10.1021/ml400526d
BindingDB Entry DOI: 10.7270/Q2QJ7JV4
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50425096
PNG
(CHEMBL2312918)
Show SMILES CCCN(c1ccon1)P(=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C18H19N2O2P/c1-2-14-20(18-13-15-22-19-18)23(21,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-13,15H,2,14H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 590n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by high throughput planar patch clamp assay


Bioorg Med Chem Lett 23: 706-10 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.098
BindingDB Entry DOI: 10.7270/Q2H133BG
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50425100
PNG
(CHEMBL2313227)
Show SMILES COCCN(c1cccnc1)P(=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H21N2O2P/c1-24-16-15-22(18-9-8-14-21-17-18)25(23,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-14,17H,15-16H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 620n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by high throughput planar patch clamp assay


Bioorg Med Chem Lett 23: 706-10 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.098
BindingDB Entry DOI: 10.7270/Q2H133BG
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020022
PNG
(CHEMBL3287821)
Show SMILES COc1ccc(N\C(=N\C)c2cccs2)cc1CSC1CCCC1
Show InChI InChI=1S/C19H24N2OS2/c1-20-19(18-8-5-11-23-18)21-15-9-10-17(22-2)14(12-15)13-24-16-6-3-4-7-16/h5,8-12,16H,3-4,6-7,13H2,1-2H3,(H,20,21)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 631n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-QRFP43 from human GPR103 receptor overexpressed in HEK membranes after 90 mins by liquid scintillation counting


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50425109
PNG
(CHEMBL2312928)
Show SMILES CCCNC(c1cccnc1)P(=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H23N2OP/c1-2-15-23-21(18-10-9-16-22-17-18)25(24,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-14,16-17,21,23H,2,15H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 750n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by high throughput planar patch clamp assay


Bioorg Med Chem Lett 23: 706-10 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.098
BindingDB Entry DOI: 10.7270/Q2H133BG
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50020039
PNG
(CHEMBL3287852)
Show SMILES CC(C)(C)CC[C@H]1C[C@H](CCN1)c1cc(=O)[nH]o1 |r|
Show InChI InChI=1S/C14H24N2O2/c1-14(2,3)6-4-11-8-10(5-7-15-11)12-9-13(17)16-18-12/h9-11,15H,4-8H2,1-3H3,(H,16,17)/t10-,11-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 770n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to full length Glu-plasminogen in human plasma assessed as inhibition of interaction with fibrin in presence of tPA


ACS Med Chem Lett 5: 538-43 (2014)


Article DOI: 10.1021/ml400526d
BindingDB Entry DOI: 10.7270/Q2QJ7JV4
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50019974
PNG
(CHEMBL3287825)
Show SMILES N=C(Nc1cccc(CSC2CCCC2)c1)c1cccs1
Show InChI InChI=1S/C17H20N2S2/c18-17(16-9-4-10-20-16)19-14-6-3-5-13(11-14)12-21-15-7-1-2-8-15/h3-6,9-11,15H,1-2,7-8,12H2,(H2,18,19)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 794n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50032954
PNG
(5-(piperidin-4-yl)isoxazol-3-ol | 5-Piperidin-4-yl...)
Show SMILES O=c1cc(o[nH]1)C1CCNCC1
Show InChI InChI=1S/C8H12N2O2/c11-8-5-7(12-10-8)6-1-3-9-4-2-6/h5-6,9H,1-4H2,(H,10,11)
PDB
MMDB

NCI pathway
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 800n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to full length Glu-plasminogen in human plasma assessed as inhibition of interaction with fibrin in presence of tPA


ACS Med Chem Lett 5: 538-43 (2014)


Article DOI: 10.1021/ml400526d
BindingDB Entry DOI: 10.7270/Q2QJ7JV4
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50425093
PNG
(CHEMBL2312921)
Show SMILES CCCN(c1cccc(c1)S(C)(=O)=O)P(=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H24NO3PS/c1-3-17-23(19-11-10-16-22(18-19)28(2,25)26)27(24,20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-16,18H,3,17H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 930n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by high throughput planar patch clamp assay


Bioorg Med Chem Lett 23: 706-10 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.098
BindingDB Entry DOI: 10.7270/Q2H133BG
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50020035
PNG
(CHEMBL3287849)
Show SMILES O=c1cc(o[nH]1)[C@H]1CCN[C@@H](Cc2ccccc2)C1 |r|
Show InChI InChI=1S/C15H18N2O2/c18-15-10-14(19-17-15)12-6-7-16-13(9-12)8-11-4-2-1-3-5-11/h1-5,10,12-13,16H,6-9H2,(H,17,18)/t12-,13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 950n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human full length Glu-plasminogen in buffer assessed as inhibition of interaction with fibrin preincubated for 15 mins followed b...


ACS Med Chem Lett 5: 538-43 (2014)


Article DOI: 10.1021/ml400526d
BindingDB Entry DOI: 10.7270/Q2QJ7JV4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50425097
PNG
(CHEMBL2313230)
Show SMILES CCCN(c1cncnc1)P(=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H20N3OP/c1-2-13-22(17-14-20-16-21-15-17)24(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,14-16H,2,13H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by high throughput planar patch clamp assay


Bioorg Med Chem Lett 23: 706-10 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.098
BindingDB Entry DOI: 10.7270/Q2H133BG
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 221 total )  |  Next  |  Last  >>
Jump to: