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BDBM50084905 CHEMBL147964::{1-[2-Dibenzofuran-3-yl-1-(1H-tetrazol-5-yl)-ethylamino]-3-naphthalen-1-yl-propyl}-phosphonic acid

SMILES: OP(O)(=O)C(CCc1cccc2ccccc12)N[C@@H](Cc1ccc2c(c1)oc1ccccc21)c1nnn[nH]1

InChI Key: InChIKey=TUPJIGTXAYPCTF-BXXZMZEQSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50084905   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50084905
PNG
(CHEMBL147964 | {1-[2-Dibenzofuran-3-yl-1-(1H-tetra...)
Show SMILES OP(O)(=O)C(CCc1cccc2ccccc12)N[C@@H](Cc1ccc2c(c1)oc1ccccc21)c1nnn[nH]1
Show InChI InChI=1S/C28H26N5O4P/c34-38(35,36)27(15-13-20-8-5-7-19-6-1-2-9-21(19)20)29-24(28-30-32-33-31-28)16-18-12-14-23-22-10-3-4-11-25(22)37-26(23)17-18/h1-12,14,17,24,27,29H,13,15-16H2,(H2,34,35,36)(H,30,31,32,33)/t24-,27?/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.60n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In Vitro inhibition of recombinant human endothelin converting enzyme-1


J Med Chem 43: 488-504 (2000)


BindingDB Entry DOI: 10.7270/Q21G0MZR
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50084905
PNG
(CHEMBL147964 | {1-[2-Dibenzofuran-3-yl-1-(1H-tetra...)
Show SMILES OP(O)(=O)C(CCc1cccc2ccccc12)N[C@@H](Cc1ccc2c(c1)oc1ccccc21)c1nnn[nH]1
Show InChI InChI=1S/C28H26N5O4P/c34-38(35,36)27(15-13-20-8-5-7-19-6-1-2-9-21(19)20)29-24(28-30-32-33-31-28)16-18-12-14-23-22-10-3-4-11-25(22)37-26(23)17-18/h1-12,14,17,24,27,29H,13,15-16H2,(H2,34,35,36)(H,30,31,32,33)/t24-,27?/m0/s1
PDB
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase


J Med Chem 43: 488-504 (2000)


BindingDB Entry DOI: 10.7270/Q21G0MZR
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50084905
PNG
(CHEMBL147964 | {1-[2-Dibenzofuran-3-yl-1-(1H-tetra...)
Show SMILES OP(O)(=O)C(CCc1cccc2ccccc12)N[C@@H](Cc1ccc2c(c1)oc1ccccc21)c1nnn[nH]1
Show InChI InChI=1S/C28H26N5O4P/c34-38(35,36)27(15-13-20-8-5-7-19-6-1-2-9-21(19)20)29-24(28-30-32-33-31-28)16-18-12-14-23-22-10-3-4-11-25(22)37-26(23)17-18/h1-12,14,17,24,27,29H,13,15-16H2,(H2,34,35,36)(H,30,31,32,33)/t24-,27?/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 440n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In Vitro inhibition of recombinant human endothelin converting enzyme-1


J Med Chem 43: 488-504 (2000)


BindingDB Entry DOI: 10.7270/Q21G0MZR
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50084905
PNG
(CHEMBL147964 | {1-[2-Dibenzofuran-3-yl-1-(1H-tetra...)
Show SMILES OP(O)(=O)C(CCc1cccc2ccccc12)N[C@@H](Cc1ccc2c(c1)oc1ccccc21)c1nnn[nH]1
Show InChI InChI=1S/C28H26N5O4P/c34-38(35,36)27(15-13-20-8-5-7-19-6-1-2-9-21(19)20)29-24(28-30-32-33-31-28)16-18-12-14-23-22-10-3-4-11-25(22)37-26(23)17-18/h1-12,14,17,24,27,29H,13,15-16H2,(H2,34,35,36)(H,30,31,32,33)/t24-,27?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 210n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase


J Med Chem 43: 488-504 (2000)


BindingDB Entry DOI: 10.7270/Q21G0MZR
More data for this
Ligand-Target Pair