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1 similar compounds to monomer 50195796

Compile data set for download or QSAR
Wt: 536.1
BDBM50195780

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50195780   
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
Cathepsin D


(Homo sapiens (Human))
BDBM50195780
PNG
(CHEMBL3969876)
Show SMILES Cl.COCCCCn1c(nc2ccccc12)C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1
Show InChI InChI=1/C27H41N5O4.ClH/c1-20(2)19-32(22-16-21(17-28-18-22)26(33)30-11-14-36-15-12-30)27(34)25-29-23-8-4-5-9-24(23)31(25)10-6-7-13-35-3;/h4-5,8-9,20-22,28H,6-7,10-19H2,1-3H3;1H/t21-,22+;/s2
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PC cid
PC sid
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Similars

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



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D (unknown origin)


ACS Med Chem Lett 7: 933-938 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00251
BindingDB Entry DOI: 10.7270/Q2SF2Z3X
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50195780
PNG
(CHEMBL3969876)
Show SMILES Cl.COCCCCn1c(nc2ccccc12)C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1
Show InChI InChI=1/C27H41N5O4.ClH/c1-20(2)19-32(22-16-21(17-28-18-22)26(33)30-11-14-36-15-12-30)27(34)25-29-23-8-4-5-9-24(23)31(25)10-6-7-13-35-3;/h4-5,8-9,20-22,28H,6-7,10-19H2,1-3H3;1H/t21-,22+;/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of renin in human plasma by radioimmunoassay


ACS Med Chem Lett 7: 933-938 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00251
BindingDB Entry DOI: 10.7270/Q2SF2Z3X
More data for this
Ligand-Target Pair