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

Found 362 hits with Last Name = 'ksander' and Initial = 'gm'   
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
Neprilysin


(Homo sapiens (Human))
BDBM155343
PNG
(US9006249, Example 49-2 | US9603819, Example 49-2)
Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc(n[nH]1)C(O)=O)C(O)=O |r|
Show InChI InChI=1/C23H22ClN3O5/c1-13(22(29)30)9-18(25-21(28)19-12-20(23(31)32)27-26-19)10-14-5-7-15(8-6-14)16-3-2-4-17(24)11-16/h2-8,11-13,18H,9-10H2,1H3,(H,25,28)(H,26,27)(H,29,30)(H,31,32)/t13-,18+/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0300n/an/an/an/a7.425



Novartis AG

US Patent


Assay Description
See A fluorescence lifetime-based assay for protease inhibitor profiling on human kallikrein 7 Doering K, Meder G, Hinnenberger M, Woelcke J, Mayr L ...


US Patent US9006249 (2015)


BindingDB Entry DOI: 10.7270/Q2NV9H0R
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM155343
PNG
(US9006249, Example 49-2 | US9603819, Example 49-2)
Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc(n[nH]1)C(O)=O)C(O)=O |r|
Show InChI InChI=1/C23H22ClN3O5/c1-13(22(29)30)9-18(25-21(28)19-12-20(23(31)32)27-26-19)10-14-5-7-15(8-6-14)16-3-2-4-17(24)11-16/h2-8,11-13,18H,9-10H2,1H3,(H,25,28)(H,26,27)(H,29,30)(H,31,32)/t13-,18+/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0300n/an/an/an/an/an/a



NOVARTIS AG

US Patent




US Patent US9603819 (2017)


BindingDB Entry DOI: 10.7270/Q20V8FVV
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM309469
PNG
((2R,4S)-5-(3′-Chloro-biphenyl-4-yl)-4-[(3-hy...)
Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)C(\O)=C\C(O)=N)C(O)=O |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0400n/an/an/an/an/an/a



NOVARTIS AG

US Patent




US Patent US9603819 (2017)


BindingDB Entry DOI: 10.7270/Q20V8FVV
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM153121
PNG
(US8993631, 29-2 | US9006249, Example 49-1)
Show SMILES C[C@@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc(O)no1)C(O)=O
Show InChI InChI=1S/C22H21ClN2O5/c1-13(22(28)29)9-18(24-21(27)19-12-20(26)25-30-19)10-14-5-7-15(8-6-14)16-3-2-4-17(23)11-16/h2-8,11-13,18H,9-10H2,1H3,(H,24,27)(H,25,26)(H,28,29)/t13-,18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0400n/an/an/an/a7.425



Novartis AG

US Patent


Assay Description
See A fluorescence lifetime-based assay for protease inhibitor profiling on human kallikrein 7 Doering K, Meder G, Hinnenberger M, Woelcke J, Mayr L ...


US Patent US9006249 (2015)


BindingDB Entry DOI: 10.7270/Q2NV9H0R
More data for this
Ligand-Target Pair
Neutral endopeptidase (NEP)


(Homo sapiens (Human))
BDBM130367
PNG
(US8822534, Example 11-14)
Show SMILES OC(=O)C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc(O)no1
Show InChI InChI=1S/C20H17ClN2O5/c21-15-3-1-2-14(9-15)13-6-4-12(5-7-13)8-16(10-19(25)26)22-20(27)17-11-18(24)23-28-17/h1-7,9,11,16H,8,10H2,(H,22,27)(H,23,24)(H,25,26)/t16-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0700n/an/an/an/a7.425



Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8822534 (2014)


BindingDB Entry DOI: 10.7270/Q2513WW2
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM138390
PNG
(US8877786, Example 3-1)
Show SMILES CCOC(=O)[C@H](C)N[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)C(=O)Nc1nnn[nH]1 |r|
Show InChI InChI=1/C21H23ClN6O3/c1-3-31-20(30)13(2)23-18(19(29)24-21-25-27-28-26-21)11-14-7-9-15(10-8-14)16-5-4-6-17(22)12-16/h4-10,12-13,18,23H,3,11H2,1-2H3,(H2,24,25,26,27,28,29)/t13-,18-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0900n/an/an/an/a7.425



Novartis AG

US Patent


Assay Description
The in vitro inhibition of recombinant human neutral endopeptidase (NEP, EC 3.424.11) can be determined as follows:Recombinant human neutral endopept...


US Patent US8877786 (2014)


BindingDB Entry DOI: 10.7270/Q28914KV
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM138395
PNG
(US8877786, Example 3-12)
Show SMILES OC(=O)[C@H](CCc1ccccc1)N[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)C(=O)NC1=NNNN1 |r,t:34|
Show InChI InChI=1/C26H27ClN6O3/c27-21-8-4-7-20(16-21)19-12-9-18(10-13-19)15-23(24(34)29-26-30-32-33-31-26)28-22(25(35)36)14-11-17-5-2-1-3-6-17/h1-10,12-13,16,22-23,28,32-33H,11,14-15H2,(H,35,36)(H2,29,30,31,34)/t22-,23-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.200n/an/an/an/a7.425



Novartis AG

US Patent


Assay Description
The in vitro inhibition of recombinant human neutral endopeptidase (NEP, EC 3.424.11) can be determined as follows:Recombinant human neutral endopept...


US Patent US8877786 (2014)


BindingDB Entry DOI: 10.7270/Q28914KV
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM138396
PNG
(US8877786, Example 3-13)
Show SMILES CC[C@H](N[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)C(=O)NC1=NNNN1)C(O)=O |r,t:24|
Show InChI InChI=1/C20H23ClN6O3/c1-2-16(19(29)30)22-17(18(28)23-20-24-26-27-25-20)10-12-6-8-13(9-7-12)14-4-3-5-15(21)11-14/h3-9,11,16-17,22,26-27H,2,10H2,1H3,(H,29,30)(H2,23,24,25,28)/t16-,17-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.200n/an/an/an/a7.425



Novartis AG

US Patent


Assay Description
The in vitro inhibition of recombinant human neutral endopeptidase (NEP, EC 3.424.11) can be determined as follows:Recombinant human neutral endopept...


US Patent US8877786 (2014)


BindingDB Entry DOI: 10.7270/Q28914KV
More data for this
Ligand-Target Pair
Neutral endopeptidase (NEP)


(Homo sapiens (Human))
BDBM130365
PNG
(US8822534, Example 11-1 | US8822534, Example 12-1 ...)
Show SMILES OC(=O)CCC(=O)N[C@@H](CC(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1
Show InChI InChI=1S/C20H20ClNO5/c21-16-3-1-2-15(11-16)14-6-4-13(5-7-14)10-17(12-20(26)27)22-18(23)8-9-19(24)25/h1-7,11,17H,8-10,12H2,(H,22,23)(H,24,25)(H,26,27)/t17-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.200n/an/an/an/a7.425



Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8822534 (2014)


BindingDB Entry DOI: 10.7270/Q2513WW2
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM155344
PNG
(US9006249, Example 49-3 | US9603819, Example 49-3)
Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1ccc(o1)C(O)=O)C(O)=O |r|
Show InChI InChI=1/C24H22ClNO6/c1-14(23(28)29)11-19(26-22(27)20-9-10-21(32-20)24(30)31)12-15-5-7-16(8-6-15)17-3-2-4-18(25)13-17/h2-10,13-14,19H,11-12H2,1H3,(H,26,27)(H,28,29)(H,30,31)/t14-,19+/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/an/an/an/a7.425



Novartis AG

US Patent


Assay Description
See A fluorescence lifetime-based assay for protease inhibitor profiling on human kallikrein 7 Doering K, Meder G, Hinnenberger M, Woelcke J, Mayr L ...


US Patent US9006249 (2015)


BindingDB Entry DOI: 10.7270/Q2NV9H0R
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM155344
PNG
(US9006249, Example 49-3 | US9603819, Example 49-3)
Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1ccc(o1)C(O)=O)C(O)=O |r|
Show InChI InChI=1/C24H22ClNO6/c1-14(23(28)29)11-19(26-22(27)20-9-10-21(32-20)24(30)31)12-15-5-7-16(8-6-15)17-3-2-4-18(25)13-17/h2-10,13-14,19H,11-12H2,1H3,(H,26,27)(H,28,29)(H,30,31)/t14-,19+/s2
PDB

KEGG

UniProtKB/SwissProt

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



NOVARTIS AG

US Patent




US Patent US9603819 (2017)


BindingDB Entry DOI: 10.7270/Q20V8FVV
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM138391
PNG
(US8877786, Example 3-2)
Show SMILES C[C@H](N[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1Cl)C(=O)Nc1nnn[nH]1)C(=O)OC(C)(C)C |r|
Show InChI InChI=1/C23H26Cl2N6O3/c1-13(21(33)34-23(2,3)4)26-19(20(32)27-22-28-30-31-29-22)11-14-5-7-15(8-6-14)17-12-16(24)9-10-18(17)25/h5-10,12-13,19,26H,11H2,1-4H3,(H2,27,28,29,30,31,32)/t13-,19-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/an/an/an/a7.425



Novartis AG

US Patent


Assay Description
The in vitro inhibition of recombinant human neutral endopeptidase (NEP, EC 3.424.11) can be determined as follows:Recombinant human neutral endopept...


US Patent US8877786 (2014)


BindingDB Entry DOI: 10.7270/Q28914KV
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50251742
PNG
((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
Show SMILES CC(C)C[C@H](NP(O)(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

MMDB
PDB
PubMed
n/an/a 0.400n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibition of enkephalinase activity in membranes prepared from rabbit


J Med Chem 32: 2519-26 (1989)


BindingDB Entry DOI: 10.7270/Q2668DSV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neutral endopeptidase (NEP)


(Homo sapiens (Human))
BDBM130366
PNG
(US8822534, Example 11-11 | US8993631, 9-6)
Show SMILES OC(=O)C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)C(F)(F)C(F)(F)C(O)=O
Show InChI InChI=1S/C20H16ClF4NO5/c21-14-3-1-2-13(9-14)12-6-4-11(5-7-12)8-15(10-16(27)28)26-17(29)19(22,23)20(24,25)18(30)31/h1-7,9,15H,8,10H2,(H,26,29)(H,27,28)(H,30,31)/t15-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.5n/an/an/an/a7.425



Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8822534 (2014)


BindingDB Entry DOI: 10.7270/Q2513WW2
More data for this
Ligand-Target Pair
Neutral endopeptidase (NEP)


(Homo sapiens (Human))
BDBM130360
PNG
(US8822534, Example 5-46 | US8993631, 5-9)
Show SMILES OC(=O)C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1n[nH]c(=O)o1
Show InChI InChI=1S/C19H16ClN3O5/c20-14-3-1-2-13(9-14)12-6-4-11(5-7-12)8-15(10-16(24)25)21-17(26)18-22-23-19(27)28-18/h1-7,9,15H,8,10H2,(H,21,26)(H,23,27)(H,24,25)/t15-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.5n/an/an/an/a7.425



Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8822534 (2014)


BindingDB Entry DOI: 10.7270/Q2513WW2
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50251742
PNG
((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
Show SMILES CC(C)C[C@H](NP(O)(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

MMDB
PDB
PubMed
n/an/a 0.600n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibition of enkephalinase activity in synaptic membranes prepared from rat striatum


J Med Chem 32: 2519-26 (1989)


BindingDB Entry DOI: 10.7270/Q2668DSV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50034841
PNG
((S)-5-Biphenyl-4-yl-4-(2-carboxy-ethylcarbamoyl)-p...)
Show SMILES OC(=O)CCNC(=O)[C@@H](CCC(O)=O)Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H23NO5/c23-19(24)11-10-18(21(27)22-13-12-20(25)26)14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9,18H,10-14H2,(H,22,27)(H,23,24)(H,25,26)/t18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.700n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibition of Neutral endopeptidase by using Leu enkephalin as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair
Apolipoprotein B-100


(Homo sapiens (Human))
BDBM50107813
PNG
((S)-methyl 5-(6-methyl-4'-(trifluoromethyl)bipheny...)
Show SMILES COC(=O)N[C@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(cc3)C(F)(F)F)cc2C1 |r|
Show InChI InChI=1S/C26H23F3N2O3/c1-15-4-3-5-22(23(15)16-6-9-19(10-7-16)26(27,28)29)24(32)30-20-11-8-17-12-21(14-18(17)13-20)31-25(33)34-2/h3-11,13,21H,12,14H2,1-2H3,(H,30,32)(H,31,33)/t21-/m0/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 0.700n/an/an/an/an/an/a



Novartis Institute for Biomedical Reasearch

Curated by ChEMBL


Assay Description
Inhibition of apolipoprotein B (apoB) secreted by human hepatoma cells (Hep G2) at 100 nM


J Med Chem 44: 4677-87 (2001)


BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Neutral endopeptidase (NEP)


(Homo sapiens (Human))
BDBM130359
PNG
(US8822534, Example 5-39 | US8993631, 5-8)
Show SMILES COc1ccc(Cl)cc1-c1ccc(C[C@H](CC(O)=O)NC(=O)CCC(O)=O)cc1
Show InChI InChI=1S/C21H22ClNO6/c1-29-18-7-6-15(22)11-17(18)14-4-2-13(3-5-14)10-16(12-21(27)28)23-19(24)8-9-20(25)26/h2-7,11,16H,8-10,12H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t16-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.700n/an/an/an/a7.425



Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8822534 (2014)


BindingDB Entry DOI: 10.7270/Q2513WW2
More data for this
Ligand-Target Pair
Neutral endopeptidase (NEP)


(Homo sapiens (Human))
BDBM130362
PNG
(US8822534, Example 5-55 | US8993631, 5-11)
Show SMILES COc1ccc(F)cc1-c1ccc(C[C@H](CC(O)=O)NC(=O)c2cc(O)no2)cc1
Show InChI InChI=1S/C21H19FN2O6/c1-29-17-7-6-14(22)9-16(17)13-4-2-12(3-5-13)8-15(10-20(26)27)23-21(28)18-11-19(25)24-30-18/h2-7,9,11,15H,8,10H2,1H3,(H,23,28)(H,24,25)(H,26,27)/t15-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.700n/an/an/an/a7.425



Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8822534 (2014)


BindingDB Entry DOI: 10.7270/Q2513WW2
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50034846
PNG
((2R,4R)-5-Biphenyl-4-yl-4-(3-carboxy-propionylamin...)
Show SMILES C[C@H](C[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H25NO5/c1-15(22(27)28)13-19(23-20(24)11-12-21(25)26)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,15,19H,11-14H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t15-,19-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.740n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibition of Neutral endopeptidase by using Leu enkephalin as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair
Neutral endopeptidase (NEP)


(Homo sapiens (Human))
BDBM130369
PNG
(US8822534, Example 14-1 | US8993631, 11-1)
Show SMILES OC(=O)CNC(=O)N[C@@H](CC(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1
Show InChI InChI=1S/C19H19ClN2O5/c20-15-3-1-2-14(9-15)13-6-4-12(5-7-13)8-16(10-17(23)24)22-19(27)21-11-18(25)26/h1-7,9,16H,8,10-11H2,(H,23,24)(H,25,26)(H2,21,22,27)/t16-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.800n/an/an/an/a7.425



Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8822534 (2014)


BindingDB Entry DOI: 10.7270/Q2513WW2
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50034851
PNG
(3-[(S)-3-Biphenyl-4-yl-2-(phosphonomethyl-amino)-p...)
Show SMILES OC(=O)CCNC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NCP(O)(O)=O
Show InChI InChI=1S/C19H23N2O6P/c22-18(23)10-11-20-19(24)17(21-13-28(25,26)27)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17,21H,10-13H2,(H,20,24)(H,22,23)(H2,25,26,27)/t17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 0.810n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibition of Neutral endopeptidase by using Leu enkephalin as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair
Apolipoprotein B-100


(Homo sapiens (Human))
BDBM50107808
PNG
(6-Methyl-4'-trifluoromethyl-biphenyl-2-carboxylic ...)
Show SMILES Cc1cccc(C(=O)Nc2ccc3C[C@H](Cc3c2)NS(=O)(=O)c2cccs2)c1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H23F3N2O3S2/c1-17-4-2-5-24(26(17)18-7-10-21(11-8-18)28(29,30)31)27(34)32-22-12-9-19-14-23(16-20(19)15-22)33-38(35,36)25-6-3-13-37-25/h2-13,15,23,33H,14,16H2,1H3,(H,32,34)/t23-/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 0.900n/an/an/an/an/an/a



Novartis Institute for Biomedical Reasearch

Curated by ChEMBL


Assay Description
Inhibition of apolipoprotein B (apoB) secreted by human hepatoma cells (Hep G2) at 100 nM


J Med Chem 44: 4677-87 (2001)


BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50056252
PNG
((6S,9S)-6-Mercaptomethyl-7-oxo-6,7,8,9,10,11,12,13...)
Show SMILES OC(=O)[C@@H]1CCCCc2ccccc2C[C@H](CS)C(=O)N1
Show InChI InChI=1S/C16H21NO3S/c18-15-13(10-21)9-12-7-2-1-5-11(12)6-3-4-8-14(17-15)16(19)20/h1-2,5,7,13-14,21H,3-4,6,8-10H2,(H,17,18)(H,19,20)/t13-,14+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.900n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit neutral endopeptidase (NEP)


J Med Chem 40: 506-14 (1997)


Article DOI: 10.1021/jm960583g
BindingDB Entry DOI: 10.7270/Q2TM797S
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50056252
PNG
((6S,9S)-6-Mercaptomethyl-7-oxo-6,7,8,9,10,11,12,13...)
Show SMILES OC(=O)[C@@H]1CCCCc2ccccc2C[C@H](CS)C(=O)N1
Show InChI InChI=1S/C16H21NO3S/c18-15-13(10-21)9-12-7-2-1-5-11(12)6-3-4-8-14(17-15)16(19)20/h1-2,5,7,13-14,21H,3-4,6,8-10H2,(H,17,18)(H,19,20)/t13-,14+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.900n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase


J Med Chem 40: 495-505 (1997)


Article DOI: 10.1021/jm960582o
BindingDB Entry DOI: 10.7270/Q2ZC81Z3
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM153108
PNG
(US8993631, 16-5 | US9006249, Example 3-32 | US9603...)
Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)c1cc(ncn1)C(O)=O)C(O)=O |r|
Show InChI InChI=1/C24H23N3O5/c1-15(23(29)30)11-19(27-22(28)20-13-21(24(31)32)26-14-25-20)12-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,13-15,19H,11-12H2,1H3,(H,27,28)(H,29,30)(H,31,32)/t15-,19+/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/a7.425



Novartis AG

US Patent


Assay Description
See A fluorescence lifetime-based assay for protease inhibitor profiling on human kallikrein 7 Doering K, Meder G, Hinnenberger M, Woelcke J, Mayr L ...


US Patent US9006249 (2015)


BindingDB Entry DOI: 10.7270/Q2NV9H0R
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM153108
PNG
(US8993631, 16-5 | US9006249, Example 3-32 | US9603...)
Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)c1cc(ncn1)C(O)=O)C(O)=O |r|
Show InChI InChI=1/C24H23N3O5/c1-15(23(29)30)11-19(27-22(28)20-13-21(24(31)32)26-14-25-20)12-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,13-15,19H,11-12H2,1H3,(H,27,28)(H,29,30)(H,31,32)/t15-,19+/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



NOVARTIS AG

US Patent




US Patent US9603819 (2017)


BindingDB Entry DOI: 10.7270/Q20V8FVV
More data for this
Ligand-Target Pair
Apolipoprotein B-100


(Homo sapiens (Human))
BDBM50107774
PNG
(4,6-Dimethyl-4'-trifluoromethyl-biphenyl-2-carboxy...)
Show SMILES Cc1cc(C)c(-c2ccc(cc2)C(F)(F)F)c(c1)C(=O)Nc1ccc2C[C@H](Cc2c1)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C29H25F3N2O3S2/c1-17-12-18(2)27(19-5-8-22(9-6-19)29(30,31)32)25(13-17)28(35)33-23-10-7-20-14-24(16-21(20)15-23)34-39(36,37)26-4-3-11-38-26/h3-13,15,24,34H,14,16H2,1-2H3,(H,33,35)/t24-/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 1n/an/an/an/an/an/a



Novartis Institute for Biomedical Reasearch

Curated by ChEMBL


Assay Description
Inhibition of apolipoprotein B (apoB) secreted by human hepatoma cells (Hep G2) at 100 nM


J Med Chem 44: 4677-87 (2001)


BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Apolipoprotein B-100


(Homo sapiens (Human))
BDBM50107809
PNG
(CHEMBL143284 | {5-[(4,6-Dimethyl-4'-trifluoromethy...)
Show SMILES COC(=O)N[C@H]1Cc2ccc(NC(=O)c3cc(C)cc(C)c3-c3ccc(cc3)C(F)(F)F)cc2C1
Show InChI InChI=1S/C27H25F3N2O3/c1-15-10-16(2)24(17-4-7-20(8-5-17)27(28,29)30)23(11-15)25(33)31-21-9-6-18-12-22(14-19(18)13-21)32-26(34)35-3/h4-11,13,22H,12,14H2,1-3H3,(H,31,33)(H,32,34)/t22-/m0/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 1.10n/an/an/an/an/an/a



Novartis Institute for Biomedical Reasearch

Curated by ChEMBL


Assay Description
Inhibition of apolipoprotein B (apoB) secreted by human hepatoma cells (Hep G2) at 100 nM


J Med Chem 44: 4677-87 (2001)


BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Neutral endopeptidase (NEP)


(Homo sapiens (Human))
BDBM130365
PNG
(US8822534, Example 11-1 | US8822534, Example 12-1 ...)
Show SMILES OC(=O)CCC(=O)N[C@@H](CC(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1
Show InChI InChI=1S/C20H20ClNO5/c21-16-3-1-2-15(11-16)14-6-4-13(5-7-14)10-17(12-20(26)27)22-18(23)8-9-19(24)25/h1-7,11,17H,8-10,12H2,(H,22,23)(H,24,25)(H,26,27)/t17-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.10n/an/an/an/a7.425



Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8822534 (2014)


BindingDB Entry DOI: 10.7270/Q2513WW2
More data for this
Ligand-Target Pair
Apolipoprotein B-100


(Homo sapiens (Human))
BDBM50107797
PNG
(4'-Fluoro-6-methyl-biphenyl-2-carboxylic acid (2-b...)
Show SMILES Cc1cccc(C(=O)Nc2ccc3CC(Cc3c2)NS(=O)(=O)c2ccccc2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C29H25FN2O3S/c1-19-6-5-9-27(28(19)20-10-13-23(30)14-11-20)29(33)31-24-15-12-21-16-25(18-22(21)17-24)32-36(34,35)26-7-3-2-4-8-26/h2-15,17,25,32H,16,18H2,1H3,(H,31,33)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 1.20n/an/an/an/an/an/a



Novartis Institute for Biomedical Reasearch

Curated by ChEMBL


Assay Description
Inhibition of apolipoprotein B (apoB) secreted by human hepatoma cells (Hep G2) at 100 nM


J Med Chem 44: 4677-87 (2001)


BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Neutral endopeptidase (NEP)


(Homo sapiens (Human))
BDBM130370
PNG
(US8822534, Example 15-1 | US8993631, 12-1)
Show SMILES OC(=O)C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1nn[nH]n1
Show InChI InChI=1S/C18H16ClN5O3/c19-14-3-1-2-13(9-14)12-6-4-11(5-7-12)8-15(10-16(25)26)20-18(27)17-21-23-24-22-17/h1-7,9,15H,8,10H2,(H,20,27)(H,25,26)(H,21,22,23,24)/t15-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.20n/an/an/an/a7.425



Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8822534 (2014)


BindingDB Entry DOI: 10.7270/Q2513WW2
More data for this
Ligand-Target Pair
Apolipoprotein B-100


(Homo sapiens (Human))
BDBM50107790
PNG
(4'-Trifluoromethyl-biphenyl-2-carboxylic acid (2-b...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ccccc1C(=O)Nc1ccc2CC(Cc2c1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H23F3N2O3S/c30-29(31,32)22-13-10-19(11-14-22)26-8-4-5-9-27(26)28(35)33-23-15-12-20-16-24(18-21(20)17-23)34-38(36,37)25-6-2-1-3-7-25/h1-15,17,24,34H,16,18H2,(H,33,35)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 1.30n/an/an/an/an/an/a



Novartis Institute for Biomedical Reasearch

Curated by ChEMBL


Assay Description
Inhibition of apolipoprotein B (apoB) secreted by human hepatoma cells (Hep G2) at 100 nM


J Med Chem 44: 4677-87 (2001)


BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50017742
PNG
(CHEMBL316180 | disodium 2-benzyl-4-(3-carboxylatop...)
Show SMILES [O-]C(=O)CCCNC(=O)[C@@H](C[C@@H](Cc1ccccc1)C([O-])=O)Cc1ccccc1
Show InChI InChI=1S/C23H27NO5/c25-21(26)12-7-13-24-22(27)19(14-17-8-3-1-4-9-17)16-20(23(28)29)15-18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,24,27)(H,25,26)(H,28,29)/p-2/t19-,20-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.40n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibition of enkephalinase activity in membranes prepared from rabbit


J Med Chem 32: 2519-26 (1989)


BindingDB Entry DOI: 10.7270/Q2668DSV
More data for this
Ligand-Target Pair
Apolipoprotein B-100


(Homo sapiens (Human))
BDBM50107772
PNG
(4'-Fluoro-6-methyl-biphenyl-2-carboxylic acid [2-(...)
Show SMILES Cc1cccc(C(=O)Nc2ccc3CC(Cc3c2)NS(=O)(=O)c2cccs2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C27H23FN2O3S2/c1-17-4-2-5-24(26(17)18-7-10-21(28)11-8-18)27(31)29-22-12-9-19-14-23(16-20(19)15-22)30-35(32,33)25-6-3-13-34-25/h2-13,15,23,30H,14,16H2,1H3,(H,29,31)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 1.40n/an/an/an/an/an/a



Novartis Institute for Biomedical Reasearch

Curated by ChEMBL


Assay Description
Inhibition of apolipoprotein B (apoB) secreted by human hepatoma cells (Hep G2) at 100 nM


J Med Chem 44: 4677-87 (2001)


BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM21641
PNG
(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Show SMILES OC(=O)CNC(=O)C(CS)Cc1ccccc1
Show InChI InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem

Patents

PDB
PubMed
n/an/a 1.5n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibition of Neutral endopeptidase by using Leu enkephalin as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50034851
PNG
(3-[(S)-3-Biphenyl-4-yl-2-(phosphonomethyl-amino)-p...)
Show SMILES OC(=O)CCNC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NCP(O)(O)=O
Show InChI InChI=1S/C19H23N2O6P/c22-18(23)10-11-20-19(24)17(21-13-28(25,26)27)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17,21H,10-13H2,(H,20,24)(H,22,23)(H2,25,26,27)/t17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 1.60n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of Neutral endopeptidase by using GAAP as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50034851
PNG
(3-[(S)-3-Biphenyl-4-yl-2-(phosphonomethyl-amino)-p...)
Show SMILES OC(=O)CCNC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NCP(O)(O)=O
Show InChI InChI=1S/C19H23N2O6P/c22-18(23)10-11-20-19(24)17(21-13-28(25,26)27)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17,21H,10-13H2,(H,20,24)(H,22,23)(H2,25,26,27)/t17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
n/an/a 1.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against neutral endopeptidase (NEP 24.11) from rat kidney cortex membranes


Bioorg Med Chem Lett 4: 539-542 (1994)


Article DOI: 10.1016/S0960-894X(01)80150-5
BindingDB Entry DOI: 10.7270/Q2736QV0
More data for this
Ligand-Target Pair
Apolipoprotein B-100


(Homo sapiens (Human))
BDBM50107803
PNG
(6-Methyl-4'-trifluoromethyl-biphenyl-2-carboxylic ...)
Show SMILES Cc1cccc(C(=O)Nc2ccc3CCC(CCc3c2)NS(=O)(=O)c2cccs2)c1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C30H27F3N2O3S2/c1-19-4-2-5-26(28(19)21-7-12-23(13-8-21)30(31,32)33)29(36)34-25-16-10-20-9-14-24(15-11-22(20)18-25)35-40(37,38)27-6-3-17-39-27/h2-8,10,12-13,16-18,24,35H,9,11,14-15H2,1H3,(H,34,36)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 1.60n/an/an/an/an/an/a



Novartis Institute for Biomedical Reasearch

Curated by ChEMBL


Assay Description
Inhibition of apolipoprotein B (apoB) secreted by human hepatoma cells (Hep G2) at 100 nM


J Med Chem 44: 4677-87 (2001)


BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Apolipoprotein B-100


(Homo sapiens (Human))
BDBM50107804
PNG
(CHEMBL142975 | {2-[(6-Methyl-4'-trifluoromethyl-bi...)
Show SMILES COC(=O)NC1CCc2ccc(NC(=O)c3cccc(C)c3-c3ccc(cc3)C(F)(F)F)cc2CC1
Show InChI InChI=1S/C28H27F3N2O3/c1-17-4-3-5-24(25(17)19-6-11-21(12-7-19)28(29,30)31)26(34)32-23-15-9-18-8-13-22(33-27(35)36-2)14-10-20(18)16-23/h3-7,9,11-12,15-16,22H,8,10,13-14H2,1-2H3,(H,32,34)(H,33,35)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 1.60n/an/an/an/an/an/a



Novartis Institute for Biomedical Reasearch

Curated by ChEMBL


Assay Description
Inhibition of apolipoprotein B (apoB) secreted by human hepatoma cells (Hep G2) at 100 nM


J Med Chem 44: 4677-87 (2001)


BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Apolipoprotein B-100


(Homo sapiens (Human))
BDBM50107787
PNG
((S)-6-methyl-N-(2-(pyridin-2-ylmethylamino)-2,3-di...)
Show SMILES Cc1cccc(C(=O)Nc2ccc3C[C@@H](Cc3c2)NCc2ccccn2)c1-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C30H26F3N3O/c1-19-5-4-7-27(28(19)20-8-11-23(12-9-20)30(31,32)33)29(37)36-24-13-10-21-15-26(17-22(21)16-24)35-18-25-6-2-3-14-34-25/h2-14,16,26,35H,15,17-18H2,1H3,(H,36,37)/t26-/m0/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 1.70n/an/an/an/an/an/a



Novartis Institute for Biomedical Reasearch

Curated by ChEMBL


Assay Description
Inhibition of apolipoprotein B (apoB) secreted by human hepatoma cells (Hep G2) at 100 nM


J Med Chem 44: 4677-87 (2001)


BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Apolipoprotein B-100


(Homo sapiens (Human))
BDBM50107775
PNG
(4-{5-[(6-Methyl-4'-trifluoromethyl-biphenyl-2-carb...)
Show SMILES COC(=O)N1CCN(CC1)[C@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(cc3)C(F)(F)F)cc2C1
Show InChI InChI=1S/C30H30F3N3O3/c1-19-4-3-5-26(27(19)20-6-9-23(10-7-20)30(31,32)33)28(37)34-24-11-8-21-17-25(18-22(21)16-24)35-12-14-36(15-13-35)29(38)39-2/h3-11,16,25H,12-15,17-18H2,1-2H3,(H,34,37)/t25-/m0/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Novartis Institute for Biomedical Reasearch

Curated by ChEMBL


Assay Description
Inhibition of apolipoprotein B (apoB) secreted by human hepatoma cells (Hep G2) at 100 nM


J Med Chem 44: 4677-87 (2001)


BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Apolipoprotein B-100


(Homo sapiens (Human))
BDBM50107812
PNG
(CHEMBL142928 | {5-[(6,4'-Bis-trifluoromethyl-biphe...)
Show SMILES COC(=O)N[C@H]1Cc2ccc(NC(=O)c3cccc(c3-c3ccc(cc3)C(F)(F)F)C(F)(F)F)cc2C1
Show InChI InChI=1S/C26H20F6N2O3/c1-37-24(36)34-19-11-15-7-10-18(12-16(15)13-19)33-23(35)20-3-2-4-21(26(30,31)32)22(20)14-5-8-17(9-6-14)25(27,28)29/h2-10,12,19H,11,13H2,1H3,(H,33,35)(H,34,36)/t19-/m0/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Novartis Institute for Biomedical Reasearch

Curated by ChEMBL


Assay Description
Inhibition of apolipoprotein B (apoB) secreted by human hepatoma cells (Hep G2) at 100 nM


J Med Chem 44: 4677-87 (2001)


BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Apolipoprotein B-100


(Homo sapiens (Human))
BDBM50107810
PNG
(6-Methyl-4'-trifluoromethyl-biphenyl-2-carboxylic ...)
Show SMILES Cc1cccc(C(=O)Nc2ccc3C[C@H](Cc3c2)NS(C)(=O)=O)c1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H23F3N2O3S/c1-15-4-3-5-22(23(15)16-6-9-19(10-7-16)25(26,27)28)24(31)29-20-11-8-17-12-21(14-18(17)13-20)30-34(2,32)33/h3-11,13,21,30H,12,14H2,1-2H3,(H,29,31)/t21-/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Novartis Institute for Biomedical Reasearch

Curated by ChEMBL


Assay Description
Inhibition of apolipoprotein B (apoB) secreted by human hepatoma cells (Hep G2) at 100 nM


J Med Chem 44: 4677-87 (2001)


BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Apolipoprotein B-100


(Homo sapiens (Human))
BDBM50107815
PNG
(6-Methyl-4'-trifluoromethyl-biphenyl-2-carboxylic ...)
Show SMILES Cc1cccc(C(=O)Nc2ccc3CC(CNS(=O)(=O)c4cccs4)Cc3c2)c1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C29H25F3N2O3S2/c1-18-4-2-5-25(27(18)20-7-10-23(11-8-20)29(30,31)32)28(35)34-24-12-9-21-14-19(15-22(21)16-24)17-33-39(36,37)26-6-3-13-38-26/h2-13,16,19,33H,14-15,17H2,1H3,(H,34,35)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Novartis Institute for Biomedical Reasearch

Curated by ChEMBL


Assay Description
Inhibition of apolipoprotein B (apoB) secreted by human hepatoma cells (Hep G2) at 100 nM


J Med Chem 44: 4677-87 (2001)


BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Apolipoprotein B-100


(Homo sapiens (Human))
BDBM50107798
PNG
(CHEMBL139992 | {5-[(4'-Trifluoromethyl-biphenyl-2-...)
Show SMILES COC(=O)N[C@H]1Cc2ccc(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)cc2C1
Show InChI InChI=1S/C25H21F3N2O3/c1-33-24(32)30-20-12-16-8-11-19(13-17(16)14-20)29-23(31)22-5-3-2-4-21(22)15-6-9-18(10-7-15)25(26,27)28/h2-11,13,20H,12,14H2,1H3,(H,29,31)(H,30,32)/t20-/m0/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 1.90n/an/an/an/an/an/a



Novartis Institute for Biomedical Reasearch

Curated by ChEMBL


Assay Description
Inhibition of apolipoprotein B (apoB) secreted by human hepatoma cells (Hep G2) at 100 nM


J Med Chem 44: 4677-87 (2001)


BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50038591
PNG
(6-(5-Chloro-1-methyl-2-pyridin-3-yl-1H-indol-3-yl)...)
Show SMILES Cn1c(c(CCCCCC(O)=O)c2cc(Cl)ccc12)-c1cccnc1
Show InChI InChI=1S/C20H21ClN2O2/c1-23-18-10-9-15(21)12-17(18)16(7-3-2-4-8-19(24)25)20(23)14-6-5-11-22-13-14/h5-6,9-13H,2-4,7-8H2,1H3,(H,24,25)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 2n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Tested for 50% inhibition of thromboxane synthase (TxS) in human platelets (in vitro)


J Med Chem 37: 1823-32 (1994)


BindingDB Entry DOI: 10.7270/Q280537C
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50017736
PNG
(2-Benzyl-4-(3-carboxy-propionylamino)-5-phenyl-pen...)
Show SMILES OC(=O)CCC(=O)NC(C[C@@H](Cc1ccccc1)C(O)=O)Cc1ccccc1
Show InChI InChI=1S/C22H25NO5/c24-20(11-12-21(25)26)23-19(14-17-9-5-2-6-10-17)15-18(22(27)28)13-16-7-3-1-4-8-16/h1-10,18-19H,11-15H2,(H,23,24)(H,25,26)(H,27,28)/t18-,19?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibition of enkephalinase activity in membranes prepared from rabbit


J Med Chem 32: 2519-26 (1989)


BindingDB Entry DOI: 10.7270/Q2668DSV
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50021153
PNG
(1H-1-Benzazepine-1-acetic acid, 3-((1-(ethoxycarbo...)
Show SMILES CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(O)=O)C1=O
Show InChI InChI=1S/C24H28N2O5/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28)/t19-,20-/m0/s1
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 2n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Tested for 50% inhibition of Angiotensin converting enzyme(ACE) obtained from rabbit lung (in vitro)


J Med Chem 37: 1823-32 (1994)


BindingDB Entry DOI: 10.7270/Q280537C
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 362 total )  |  Next  |  Last  >>
Jump to: