BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 300 hits with Last Name = 'pernerstorfer' and Initial = 'j'   
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
Coagulation factor X


(Homo sapiens (Human))		BDBM7842
PNG
(BAY 59-7939 Analog 17 | US8822458, 46)
Show SMILES Brc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r|
Show InChI InChI=1S/C19H18BrN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)/t14-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 0.400n/an/an/an/a8.325



Bayer HealthCare AG



Assay Description
The enzymatic activity was measured using chromogenic or fluorogenic substrates in 96-well microtiter plates.Color change was monitored continuously ...

J Med Chem 48: 5900-8 (2005)


Article DOI: 10.1021/jm050101d
BindingDB Entry DOI: 10.7270/Q2J38QR6
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM7840
PNG
(RIVAROXABAN | US8822458, 44 | US8822458, 97)
Show SMILES Clc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r|
Show InChI InChI=1S/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)/t14-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
PubMed
n/an/a 0.700n/an/an/an/a8.325



Bayer HealthCare AG



Assay Description
The enzymatic activity was measured using chromogenic or fluorogenic substrates in 96-well microtiter plates.Color change was monitored continuously ...

J Med Chem 48: 5900-8 (2005)


Article DOI: 10.1021/jm050101d
BindingDB Entry DOI: 10.7270/Q2J38QR6
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))		BDBM12998
PNG
(5-Chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)...)
Show SMILES FC(F)(F)c1cc(ccc1N1CCOCC1=O)N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O |r|
Show InChI InChI=1S/C20H17ClF3N3O5S/c21-16-4-3-15(33-16)18(29)25-8-12-9-27(19(30)32-12)11-1-2-14(13(7-11)20(22,23)24)26-5-6-31-10-17(26)28/h1-4,7,12H,5-6,8-10H2,(H,25,29)/t12-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 1n/an/an/an/a8.325



Bayer HealthCare AG



Assay Description
The enzymatic activity was measured using chromogenic or fluorogenic substrates in 96-well microtiter plates.Color change was monitored continuously ...

J Med Chem 48: 5900-8 (2005)


Article DOI: 10.1021/jm050101d
BindingDB Entry DOI: 10.7270/Q2J38QR6
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM12997
PNG
(5-Chloro-N-({(5S)-3-[3-fluoro-4-(3-oxomorpholin-4-...)
Show SMILES Fc1cc(ccc1N1CCOCC1=O)N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O |r|
Show InChI InChI=1S/C19H17ClFN3O5S/c20-16-4-3-15(30-16)18(26)22-8-12-9-24(19(27)29-12)11-1-2-14(13(21)7-11)23-5-6-28-10-17(23)25/h1-4,7,12H,5-6,8-10H2,(H,22,26)/t12-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 1.40n/an/an/an/a8.325



Bayer HealthCare AG



Assay Description
The enzymatic activity was measured using chromogenic or fluorogenic substrates in 96-well microtiter plates.Color change was monitored continuously ...

J Med Chem 48: 5900-8 (2005)


Article DOI: 10.1021/jm050101d
BindingDB Entry DOI: 10.7270/Q2J38QR6
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM12999
PNG
(BAY 59-7939 Analog 14 | N-({(5S)-3-[3-Amino-4-(3-o...)
Show SMILES Nc1cc(ccc1N1CCOCC1=O)N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O |r|
Show InChI InChI=1S/C19H19ClN4O5S/c20-16-4-3-15(30-16)18(26)22-8-12-9-24(19(27)29-12)11-1-2-14(13(21)7-11)23-5-6-28-10-17(23)25/h1-4,7,12H,5-6,8-10,21H2,(H,22,26)/t12-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 2.5n/an/an/an/a8.325



Bayer HealthCare AG



Assay Description
The enzymatic activity was measured using chromogenic or fluorogenic substrates in 96-well microtiter plates.Color change was monitored continuously ...

J Med Chem 48: 5900-8 (2005)


Article DOI: 10.1021/jm050101d
BindingDB Entry DOI: 10.7270/Q2J38QR6
More data for this
Ligand-Target Pair
Lysosomal protective protein


(Homo sapiens (Human))		BDBM50396564
PNG
(CHEMBL2171390)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cc(OCC(=O)C(C)(C)C)n(n1)-c1ccccc1F |r|
Show InChI InChI=1S/C26H28FN3O5/c1-16-9-5-6-10-17(16)19(14-24(32)33)28-25(34)20-13-23(35-15-22(31)26(2,3)4)30(29-20)21-12-8-7-11-18(21)27/h5-13,19H,14-15H2,1-4H3,(H,28,34)(H,32,33)/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...

J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM7552
PNG
(BAY 59-7939 Analog 11 | US8822458, 17)
Show SMILES Clc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCCC1=O |r|
Show InChI InChI=1S/C19H18ClN3O4S/c20-16-8-7-15(28-16)18(25)21-10-14-11-23(19(26)27-14)13-5-3-12(4-6-13)22-9-1-2-17(22)24/h3-8,14H,1-2,9-11H2,(H,21,25)/t14-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 4n/an/an/an/a8.325



Bayer HealthCare AG



Assay Description
The enzymatic activity was measured using chromogenic or fluorogenic substrates in 96-well microtiter plates.Color change was monitored continuously ...

J Med Chem 48: 5900-8 (2005)


Article DOI: 10.1021/jm050101d
BindingDB Entry DOI: 10.7270/Q2J38QR6
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM7841
PNG
(BAY 59-7939 Analog 18 | US8822458, 45 | US9359341,...)
Show SMILES Cc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r|
Show InChI InChI=1S/C20H21N3O5S/c1-13-2-7-17(29-13)19(25)21-10-16-11-23(20(26)28-16)15-5-3-14(4-6-15)22-8-9-27-12-18(22)24/h2-7,16H,8-12H2,1H3,(H,21,25)/t16-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 4.20n/an/an/an/an/an/a



Bayer HealthCare AG



Assay Description
The enzymatic activity was measured using chromogenic or fluorogenic substrates in 96-well microtiter plates.Color change was monitored continuously ...

J Med Chem 48: 5900-8 (2005)


Article DOI: 10.1021/jm050101d
BindingDB Entry DOI: 10.7270/Q2J38QR6
More data for this
Ligand-Target Pair
Lysosomal protective protein


(Homo sapiens (Human))		BDBM50396562
PNG
(CHEMBL2171392)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cc(OC[C@H](O)C(C)(C)C)n(n1)-c1ccccc1F |r|
Show InChI InChI=1S/C26H30FN3O5/c1-16-9-5-6-10-17(16)19(14-24(32)33)28-25(34)20-13-23(35-15-22(31)26(2,3)4)30(29-20)21-12-8-7-11-18(21)27/h5-13,19,22,31H,14-15H2,1-4H3,(H,28,34)(H,32,33)/t19-,22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
PDB
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...

J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))		BDBM13008
PNG
(4-Amino-5-chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorphol...)
Show SMILES Nc1cc(sc1Cl)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r|
Show InChI InChI=1S/C19H19ClN4O5S/c20-17-14(21)7-15(30-17)18(26)22-8-13-9-24(19(27)29-13)12-3-1-11(2-4-12)23-5-6-28-10-16(23)25/h1-4,7,13H,5-6,8-10,21H2,(H,22,26)/t13-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 8.5n/an/an/an/an/an/a



Bayer HealthCare AG



Assay Description
The enzymatic activity was measured using chromogenic or fluorogenic substrates in 96-well microtiter plates.Color change was monitored continuously ...

J Med Chem 48: 5900-8 (2005)


Article DOI: 10.1021/jm050101d
BindingDB Entry DOI: 10.7270/Q2J38QR6
More data for this
Ligand-Target Pair
Lysosomal protective protein


(Homo sapiens (Human))		BDBM50396560
PNG
(CHEMBL2171394)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cc(OC[C@@H](O)C(C)(C)C)n(n1)-c1ccccc1F |r|
Show InChI InChI=1S/C26H30FN3O5/c1-16-9-5-6-10-17(16)19(14-24(32)33)28-25(34)20-13-23(35-15-22(31)26(2,3)4)30(29-20)21-12-8-7-11-18(21)27/h5-13,19,22,31H,14-15H2,1-4H3,(H,28,34)(H,32,33)/t19-,22+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...

J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Lysosomal protective protein


(Homo sapiens (Human))		BDBM50396556
PNG
(CHEMBL2171398)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cc(OCC2CC2)n(n1)-c1ccccc1F |r|
Show InChI InChI=1S/C24H24FN3O4/c1-15-6-2-3-7-17(15)19(13-23(29)30)26-24(31)20-12-22(32-14-16-10-11-16)28(27-20)21-9-5-4-8-18(21)25/h2-9,12,16,19H,10-11,13-14H2,1H3,(H,26,31)(H,29,30)/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...

J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Lysosomal protective protein


(Homo sapiens (Human))		BDBM50396557
PNG
(CHEMBL2171397)
Show SMILES CCOc1cc(nn1-c1ccccc1F)C(=O)N[C@@H](CC(O)=O)c1ccccc1C |r|
Show InChI InChI=1S/C22H22FN3O4/c1-3-30-20-12-18(25-26(20)19-11-7-6-10-16(19)23)22(29)24-17(13-21(27)28)15-9-5-4-8-14(15)2/h4-12,17H,3,13H2,1-2H3,(H,24,29)(H,27,28)/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...

J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50396556
PNG
(CHEMBL2171398)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cc(OCC2CC2)n(n1)-c1ccccc1F |r|
Show InChI InChI=1S/C24H24FN3O4/c1-15-6-2-3-7-17(15)19(13-23(29)30)26-24(31)20-12-22(32-14-16-10-11-16)28(27-20)21-9-5-4-8-18(21)25/h2-9,12,16,19H,10-11,13-14H2,1H3,(H,26,31)(H,29,30)/t19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4

J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50396557
PNG
(CHEMBL2171397)
Show SMILES CCOc1cc(nn1-c1ccccc1F)C(=O)N[C@@H](CC(O)=O)c1ccccc1C |r|
Show InChI InChI=1S/C22H22FN3O4/c1-3-30-20-12-18(25-26(20)19-11-7-6-10-16(19)23)22(29)24-17(13-21(27)28)15-9-5-4-8-14(15)2/h4-12,17H,3,13H2,1-2H3,(H,24,29)(H,27,28)/t17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4

J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))		BDBM179693
PNG
(US9127001, 8b | US9598410, Compound 8b)
Show SMILES CC(C)C(=O)N1CCc2c(C1)c(nn2Cc1ccc(F)cc1F)-c1cccc(c1)C#N
Show InChI InChI=1S/C24H22F2N4O/c1-15(2)24(31)29-9-8-22-20(14-29)23(17-5-3-4-16(10-17)12-27)28-30(22)13-18-6-7-19(25)11-21(18)26/h3-7,10-11,15H,8-9,13-14H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 19n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...

US Patent US9127001 (2015)


BindingDB Entry DOI: 10.7270/Q2HM576Z
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))		BDBM179693
PNG
(US9127001, 8b | US9598410, Compound 8b)
Show SMILES CC(C)C(=O)N1CCc2c(C1)c(nn2Cc1ccc(F)cc1F)-c1cccc(c1)C#N
Show InChI InChI=1S/C24H22F2N4O/c1-15(2)24(31)29-9-8-22-20(14-29)23(17-5-3-4-16(10-17)12-27)28-30(22)13-18-6-7-19(25)11-21(18)26/h3-7,10-11,15H,8-9,13-14H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 19n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliated. Subsequently, TA...

US Patent US9598410 (2017)


BindingDB Entry DOI: 10.7270/Q2377BRM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM13005
PNG
(4-chloro-N-{[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)...)
Show SMILES Clc1ccc(cc1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r|
Show InChI InChI=1S/C21H20ClN3O5/c22-15-3-1-14(2-4-15)20(27)23-11-18-12-25(21(28)30-18)17-7-5-16(6-8-17)24-9-10-29-13-19(24)26/h1-8,18H,9-13H2,(H,23,27)/t18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

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



Bayer HealthCare AG



Assay Description
The enzymatic activity was measured using chromogenic or fluorogenic substrates in 96-well microtiter plates.Color change was monitored continuously ...

J Med Chem 48: 5900-8 (2005)


Article DOI: 10.1021/jm050101d
BindingDB Entry DOI: 10.7270/Q2J38QR6
More data for this
Ligand-Target Pair
Lysosomal protective protein


(Homo sapiens (Human))		BDBM50396583
PNG
(CHEMBL2171404)
Show SMILES OC(=O)CC(NC(=O)c1cc(=O)n([nH]1)-c1ccccc1F)c1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H19F2N3O4/c26-18-11-9-16(10-12-18)15-5-7-17(8-6-15)20(14-24(32)33)28-25(34)21-13-23(31)30(29-21)22-4-2-1-3-19(22)27/h1-13,20,29H,14H2,(H,28,34)(H,32,33)
PDB

KEGG

UniProtKB/SwissProt

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

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



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...

J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM13004
PNG
(5-Bromo-N-({(5S)-2-oxo-3-[4-(3-oxo-4-morpholinyl)p...)
Show SMILES Brc1ccc(o1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r|
Show InChI InChI=1S/C19H18BrN3O6/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)/t14-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents
Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Bayer HealthCare AG



Assay Description
The enzymatic activity was measured using chromogenic or fluorogenic substrates in 96-well microtiter plates.Color change was monitored continuously ...

J Med Chem 48: 5900-8 (2005)


Article DOI: 10.1021/jm050101d
BindingDB Entry DOI: 10.7270/Q2J38QR6
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50396555
PNG
(CHEMBL2171396)
Show SMILES COc1cc(nn1-c1ccccc1F)C(=O)N[C@@H](CC(O)=O)c1ccccc1C |r|
Show InChI InChI=1S/C21H20FN3O4/c1-13-7-3-4-8-14(13)16(12-20(26)27)23-21(28)17-11-19(29-2)25(24-17)18-10-6-5-9-15(18)22/h3-11,16H,12H2,1-2H3,(H,23,28)(H,26,27)/t16-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4

J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Lysosomal protective protein


(Homo sapiens (Human))		BDBM50396555
PNG
(CHEMBL2171396)
Show SMILES COc1cc(nn1-c1ccccc1F)C(=O)N[C@@H](CC(O)=O)c1ccccc1C |r|
Show InChI InChI=1S/C21H20FN3O4/c1-13-7-3-4-8-14(13)16(12-20(26)27)23-21(28)17-11-19(29-2)25(24-17)18-10-6-5-9-15(18)22/h3-11,16H,12H2,1-2H3,(H,23,28)(H,26,27)/t16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...

J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM13010
PNG
(5-Chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)...)
Show SMILES Clc1ccc(nc1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r|
Show InChI InChI=1S/C20H19ClN4O5/c21-13-1-6-17(22-9-13)19(27)23-10-16-11-25(20(28)30-16)15-4-2-14(3-5-15)24-7-8-29-12-18(24)26/h1-6,9,16H,7-8,10-12H2,(H,23,27)/t16-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 29n/an/an/an/an/an/a



Bayer HealthCare AG



Assay Description
The enzymatic activity was measured using chromogenic or fluorogenic substrates in 96-well microtiter plates.Color change was monitored continuously ...

J Med Chem 48: 5900-8 (2005)


Article DOI: 10.1021/jm050101d
BindingDB Entry DOI: 10.7270/Q2J38QR6
More data for this
Ligand-Target Pair
Lysosomal protective protein


(Homo sapiens (Human))		BDBM50396587
PNG
(CHEMBL2171399)
Show SMILES COc1c(F)c(nn1-c1ccccc1F)C(=O)N[C@@H](CC(O)=O)c1ccccc1C |r|
Show InChI InChI=1S/C21H19F2N3O4/c1-12-7-3-4-8-13(12)15(11-17(27)28)24-20(29)19-18(23)21(30-2)26(25-19)16-10-6-5-9-14(16)22/h3-10,15H,11H2,1-2H3,(H,24,29)(H,27,28)/t15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...

J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM12990
PNG
(5-Chloro-N-{[(5S)-3-(3-fluoro-4-morpholin-4-ylphen...)
Show SMILES Fc1cc(ccc1N1CCOCC1)N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O |r|
Show InChI InChI=1S/C19H19ClFN3O4S/c20-17-4-3-16(29-17)18(25)22-10-13-11-24(19(26)28-13)12-1-2-15(14(21)9-12)23-5-7-27-8-6-23/h1-4,9,13H,5-8,10-11H2,(H,22,25)/t13-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 32n/an/an/an/a8.325



Bayer HealthCare AG



Assay Description
The enzymatic activity was measured using chromogenic or fluorogenic substrates in 96-well microtiter plates.Color change was monitored continuously ...

J Med Chem 48: 5900-8 (2005)


Article DOI: 10.1021/jm050101d
BindingDB Entry DOI: 10.7270/Q2J38QR6
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50396558
PNG
(CHEMBL2171403)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cc(=O)n([nH]1)-c1ccccc1F |r|
Show InChI InChI=1S/C20H18FN3O4/c1-12-6-2-3-7-13(12)15(11-19(26)27)22-20(28)16-10-18(25)24(23-16)17-9-5-4-8-14(17)21/h2-10,15,23H,11H2,1H3,(H,22,28)(H,26,27)/t15-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 38n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4

J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Lysosomal protective protein


(Homo sapiens (Human))		BDBM50396558
PNG
(CHEMBL2171403)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cc(=O)n([nH]1)-c1ccccc1F |r|
Show InChI InChI=1S/C20H18FN3O4/c1-12-6-2-3-7-13(12)15(11-19(26)27)22-20(28)16-10-18(25)24(23-16)17-9-5-4-8-14(17)21/h2-10,15,23H,11H2,1H3,(H,22,28)(H,26,27)/t15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
PDB
Article
PubMed
n/an/a 38n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...

J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))		BDBM12992
PNG
(5-Chloro-N-{[(5S)-3-(3-fluoro-4-pyrrolidin-1-ylphe...)
Show SMILES Fc1cc(ccc1N1CCCC1)N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O |r|
Show InChI InChI=1S/C19H19ClFN3O3S/c20-17-6-5-16(28-17)18(25)22-10-13-11-24(19(26)27-13)12-3-4-15(14(21)9-12)23-7-1-2-8-23/h3-6,9,13H,1-2,7-8,10-11H2,(H,22,25)/t13-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 40n/an/an/an/a8.325



Bayer HealthCare AG



Assay Description
The enzymatic activity was measured using chromogenic or fluorogenic substrates in 96-well microtiter plates.Color change was monitored continuously ...

J Med Chem 48: 5900-8 (2005)


Article DOI: 10.1021/jm050101d
BindingDB Entry DOI: 10.7270/Q2J38QR6
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM7495
PNG
(BAY 59-7939 Analog 7 | US8822458, 2)
Show SMILES Clc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1 |r|
Show InChI InChI=1S/C19H20ClN3O4S/c20-17-6-5-16(28-17)18(24)21-11-15-12-23(19(25)27-15)14-3-1-13(2-4-14)22-7-9-26-10-8-22/h1-6,15H,7-12H2,(H,21,24)/t15-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 43n/an/an/an/a8.325



Bayer HealthCare AG



Assay Description
The enzymatic activity was measured using chromogenic or fluorogenic substrates in 96-well microtiter plates.Color change was monitored continuously ...

J Med Chem 48: 5900-8 (2005)


Article DOI: 10.1021/jm050101d
BindingDB Entry DOI: 10.7270/Q2J38QR6
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))		BDBM179694
PNG
(US9127001, 8c | US9598410, Compound 8c)
Show SMILES Fc1ccc(Cn2nc(c3CN(CCc23)C(=O)C2CC2)-c2cccc(c2)C#N)c(F)c1
Show InChI InChI=1S/C24H20F2N4O/c25-19-7-6-18(21(26)11-19)13-30-22-8-9-29(24(31)16-4-5-16)14-20(22)23(28-30)17-3-1-2-15(10-17)12-27/h1-3,6-7,10-11,16H,4-5,8-9,13-14H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 47n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...

US Patent US9127001 (2015)


BindingDB Entry DOI: 10.7270/Q2HM576Z
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))		BDBM179694
PNG
(US9127001, 8c | US9598410, Compound 8c)
Show SMILES Fc1ccc(Cn2nc(c3CN(CCc23)C(=O)C2CC2)-c2cccc(c2)C#N)c(F)c1
Show InChI InChI=1S/C24H20F2N4O/c25-19-7-6-18(21(26)11-19)13-30-22-8-9-29(24(31)16-4-5-16)14-20(22)23(28-30)17-3-1-2-15(10-17)12-27/h1-3,6-7,10-11,16H,4-5,8-9,13-14H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 47n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliated. Subsequently, TA...

US Patent US9598410 (2017)


BindingDB Entry DOI: 10.7270/Q2377BRM
More data for this
Ligand-Target Pair
Lysosomal protective protein


(Homo sapiens (Human))		BDBM50396561
PNG
(CHEMBL2171393)
Show SMILES CC(C)(C)[C@@H](O)COc1cc(nn1-c1ccccc1F)C(=O)N[C@@H](CC(O)=O)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C25H26Cl2FN3O5/c1-25(2,3)21(32)13-36-22-11-19(30-31(22)20-7-5-4-6-17(20)28)24(35)29-18(12-23(33)34)15-9-8-14(26)10-16(15)27/h4-11,18,21,32H,12-13H2,1-3H3,(H,29,35)(H,33,34)/t18-,21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

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



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...

J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Lysosomal protective protein


(Homo sapiens (Human))		BDBM50396582
PNG
(CHEMBL2171405)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cc(=O)n([nH]1)-c1ccccc1Cl |r|
Show InChI InChI=1S/C20H18ClN3O4/c1-12-6-2-3-7-13(12)15(11-19(26)27)22-20(28)16-10-18(25)24(23-16)17-9-5-4-8-14(17)21/h2-10,15,23H,11H2,1H3,(H,22,28)(H,26,27)/t15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 57n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...

J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Lysosomal protective protein


(Homo sapiens (Human))		BDBM50396581
PNG
(CHEMBL2171406)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cc(=O)n([nH]1)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C20H18FN3O4/c1-12-5-2-3-8-15(12)16(11-19(26)27)22-20(28)17-10-18(25)24(23-17)14-7-4-6-13(21)9-14/h2-10,16,23H,11H2,1H3,(H,22,28)(H,26,27)/t16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 59n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...

J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Lysosomal protective protein


(Homo sapiens (Human))		BDBM50396563
PNG
(CHEMBL2171391)
Show SMILES CC(C)(C)C(=O)COc1cc(nn1-c1ccccc1F)C(=O)N[C@@H](CC(O)=O)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C25H24Cl2FN3O5/c1-25(2,3)21(32)13-36-22-11-19(30-31(22)20-7-5-4-6-17(20)28)24(35)29-18(12-23(33)34)15-9-8-14(26)10-16(15)27/h4-11,18H,12-13H2,1-3H3,(H,29,35)(H,33,34)/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...

J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))		BDBM179702
PNG
(US9127001, 8i | US9598410, Compound 8i)
Show SMILES Fc1ccc(Cn2nc(c3CN(CCc23)C(=O)C2CCC2)-c2cccc(c2)C#N)c(F)c1
Show InChI InChI=1S/C25H22F2N4O/c26-20-8-7-19(22(27)12-20)14-31-23-9-10-30(25(32)17-4-2-5-17)15-21(23)24(29-31)18-6-1-3-16(11-18)13-28/h1,3,6-8,11-12,17H,2,4-5,9-10,14-15H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 64n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliated. Subsequently, TA...

US Patent US9598410 (2017)


BindingDB Entry DOI: 10.7270/Q2377BRM
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))		BDBM179702
PNG
(US9127001, 8i | US9598410, Compound 8i)
Show SMILES Fc1ccc(Cn2nc(c3CN(CCc23)C(=O)C2CCC2)-c2cccc(c2)C#N)c(F)c1
Show InChI InChI=1S/C25H22F2N4O/c26-20-8-7-19(22(27)12-20)14-31-23-9-10-30(25(32)17-4-2-5-17)15-21(23)24(29-31)18-6-1-3-16(11-18)13-28/h1,3,6-8,11-12,17H,2,4-5,9-10,14-15H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 64n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...

US Patent US9127001 (2015)


BindingDB Entry DOI: 10.7270/Q2HM576Z
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))		BDBM159297
PNG
(US9034897, 14a)
Show SMILES CCC(=O)N1CCc2c(C1)c(nn2[C@H]1[C@H](O)Cc2c1cc(F)cc2F)-c1cccc(c1)C#N |r|
Show InChI InChI=1S/C25H22F2N4O2/c1-2-23(33)30-7-6-21-19(13-30)24(15-5-3-4-14(8-15)12-28)29-31(21)25-18-9-16(26)10-20(27)17(18)11-22(25)32/h3-5,8-10,22,25,32H,2,6-7,11,13H2,1H3/t22-,25-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 70n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...

US Patent US9034897 (2015)


BindingDB Entry DOI: 10.7270/Q23R0RNR
More data for this
Ligand-Target Pair
Lysosomal protective protein


(Homo sapiens (Human))		BDBM50396566
PNG
(CHEMBL2171388)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cc(=O)n([nH]1)-c1ccccc1 |r|
Show InChI InChI=1S/C20H19N3O4/c1-13-7-5-6-10-15(13)16(12-19(25)26)21-20(27)17-11-18(24)23(22-17)14-8-3-2-4-9-14/h2-11,16,22H,12H2,1H3,(H,21,27)(H,25,26)/t16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...

J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Lysosomal protective protein


(Homo sapiens (Human))		BDBM50396559
PNG
(CHEMBL2171395)
Show SMILES CC(C)(C)[C@H](O)COc1cc(nn1-c1ccccc1F)C(=O)N[C@@H](CC(O)=O)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C25H26Cl2FN3O5/c1-25(2,3)21(32)13-36-22-11-19(30-31(22)20-7-5-4-6-17(20)28)24(35)29-18(12-23(33)34)15-9-8-14(26)10-16(15)27/h4-11,18,21,32H,12-13H2,1-3H3,(H,29,35)(H,33,34)/t18-,21+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...

J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM12993
PNG
(5-Chloro-N-({(5S)-3-[4-(dimethylamino)phenyl]-2-ox...)
Show SMILES CN(C)c1ccc(cc1)N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O |r|
Show InChI InChI=1S/C17H18ClN3O3S/c1-20(2)11-3-5-12(6-4-11)21-10-13(24-17(21)23)9-19-16(22)14-7-8-15(18)25-14/h3-8,13H,9-10H2,1-2H3,(H,19,22)/t13-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 74n/an/an/an/a8.325



Bayer HealthCare AG



Assay Description
The enzymatic activity was measured using chromogenic or fluorogenic substrates in 96-well microtiter plates.Color change was monitored continuously ...

J Med Chem 48: 5900-8 (2005)


Article DOI: 10.1021/jm050101d
BindingDB Entry DOI: 10.7270/Q2J38QR6
More data for this
Ligand-Target Pair
Lysosomal protective protein


(Homo sapiens (Human))		BDBM50396580
PNG
(CHEMBL2169902)
Show SMILES Cc1ccc(F)cc1C(CC(O)=O)NC(=O)c1cc(=O)n([nH]1)-c1ccccc1F
Show InChI InChI=1S/C20H17F2N3O4/c1-11-6-7-12(21)8-13(11)15(10-19(27)28)23-20(29)16-9-18(26)25(24-16)17-5-3-2-4-14(17)22/h2-9,15,24H,10H2,1H3,(H,23,29)(H,27,28)
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 76n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...

J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))		BDBM159298
PNG
(US9034897, 14b)
Show SMILES O[C@@H]1Cc2c(cc(F)cc2F)[C@H]1n1nc(c2CN(CCc12)C(=O)C1CC1)-c1cccc(c1)C#N |r|
Show InChI InChI=1S/C26H22F2N4O2/c27-17-9-19-18(21(28)10-17)11-23(33)25(19)32-22-6-7-31(26(34)15-4-5-15)13-20(22)24(30-32)16-3-1-2-14(8-16)12-29/h1-3,8-10,15,23,25,33H,4-7,11,13H2/t23-,25-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 83.1n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...

US Patent US9034897 (2015)


BindingDB Entry DOI: 10.7270/Q23R0RNR
More data for this
Ligand-Target Pair
Lysosomal protective protein


(Homo sapiens (Human))		BDBM50396578
PNG
(CHEMBL2171604)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cc(=O)n([nH]1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H18FN3O4/c1-12-4-2-3-5-15(12)16(11-19(26)27)22-20(28)17-10-18(25)24(23-17)14-8-6-13(21)7-9-14/h2-10,16,23H,11H2,1H3,(H,22,28)(H,26,27)/t16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 87n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...

J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM12988
PNG
(5-Chloro-N-{[(5S)-3-(3-fluoro-4-thiomorpholin-4-yl...)
Show SMILES Fc1cc(ccc1N1CCSCC1)N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O |r|
Show InChI InChI=1S/C19H19ClFN3O3S2/c20-17-4-3-16(29-17)18(25)22-10-13-11-24(19(26)27-13)12-1-2-15(14(21)9-12)23-5-7-28-8-6-23/h1-4,9,13H,5-8,10-11H2,(H,22,25)/t13-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 90n/an/an/an/a8.325



Bayer HealthCare AG



Assay Description
The enzymatic activity was measured using chromogenic or fluorogenic substrates in 96-well microtiter plates.Color change was monitored continuously ...

J Med Chem 48: 5900-8 (2005)


Article DOI: 10.1021/jm050101d
BindingDB Entry DOI: 10.7270/Q2J38QR6
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))		BDBM179635
PNG
(US9127001, 6n | US9598410, Compound 6n)
Show SMILES CC(=O)N1C2CCC1c1c(C2)n(Cc2ccc(F)cc2F)nc1-c1cccc(c1)C#N
Show InChI InChI=1S/C24H20F2N4O/c1-14(31)30-19-7-8-21(30)23-22(11-19)29(13-17-5-6-18(25)10-20(17)26)28-24(23)16-4-2-3-15(9-16)12-27/h2-6,9-10,19,21H,7-8,11,13H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 91n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliated. Subsequently, TA...

US Patent US9598410 (2017)


BindingDB Entry DOI: 10.7270/Q2377BRM
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))		BDBM179635
PNG
(US9127001, 6n | US9598410, Compound 6n)
Show SMILES CC(=O)N1C2CCC1c1c(C2)n(Cc2ccc(F)cc2F)nc1-c1cccc(c1)C#N
Show InChI InChI=1S/C24H20F2N4O/c1-14(31)30-19-7-8-21(30)23-22(11-19)29(13-17-5-6-18(25)10-20(17)26)28-24(23)16-4-2-3-15(9-16)12-27/h2-6,9-10,19,21H,7-8,11,13H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 91n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...

US Patent US9127001 (2015)


BindingDB Entry DOI: 10.7270/Q2HM576Z
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM13011
PNG
(6-Chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)...)
Show SMILES Clc1ccc(cn1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r|
Show InChI InChI=1S/C20H19ClN4O5/c21-17-6-1-13(9-22-17)19(27)23-10-16-11-25(20(28)30-16)15-4-2-14(3-5-15)24-7-8-29-12-18(24)26/h1-6,9,16H,7-8,10-12H2,(H,23,27)/t16-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents
Article
PubMed
n/an/a 94n/an/an/an/an/an/a



Bayer HealthCare AG



Assay Description
The enzymatic activity was measured using chromogenic or fluorogenic substrates in 96-well microtiter plates.Color change was monitored continuously ...

J Med Chem 48: 5900-8 (2005)


Article DOI: 10.1021/jm050101d
BindingDB Entry DOI: 10.7270/Q2J38QR6
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))		BDBM179623
PNG
(US9127001, 6a | US9598410, Compound 6a)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2Cc1ccc(F)cc1F)-c1cccc(c1)C#N
Show InChI InChI=1S/C22H18F2N4O/c1-14(29)27-8-7-21-19(13-27)22(16-4-2-3-15(9-16)11-25)26-28(21)12-17-5-6-18(23)10-20(17)24/h2-6,9-10H,7-8,12-13H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 95n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...

US Patent US9127001 (2015)


BindingDB Entry DOI: 10.7270/Q2HM576Z
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))		BDBM179623
PNG
(US9127001, 6a | US9598410, Compound 6a)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2Cc1ccc(F)cc1F)-c1cccc(c1)C#N
Show InChI InChI=1S/C22H18F2N4O/c1-14(29)27-8-7-21-19(13-27)22(16-4-2-3-15(9-16)11-25)26-28(21)12-17-5-6-18(23)10-20(17)24/h2-6,9-10H,7-8,12-13H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 95n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliated. Subsequently, TA...

US Patent US9598410 (2017)


BindingDB Entry DOI: 10.7270/Q2377BRM
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 300 total )  |  Next  |  Last  >>
Jump to: