BindingDB logo
myBDB logout

BDBM50210725 5-(1-(6-(5-chloro-2-methoxybenzyl)-2,5-dioxo-1,4-diazepane-4-carboxamido)propyl)-2-hydroxybenzoic acid::CHEMBL396333

SMILES: CCC(NC(=O)N1CC(=O)NCC(Cc2cc(Cl)ccc2OC)C1=O)c1ccc(O)c(c1)C(O)=O

InChI Key: InChIKey=CYUDVVQWJVHMGL-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50210725   
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
Chymase


(Homo sapiens (Human))
BDBM50210725
PNG
(5-(1-(6-(5-chloro-2-methoxybenzyl)-2,5-dioxo-1,4-d...)
Show SMILES CCC(NC(=O)N1CC(=O)NCC(Cc2cc(Cl)ccc2OC)C1=O)c1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C24H26ClN3O7/c1-3-18(13-4-6-19(29)17(10-13)23(32)33)27-24(34)28-12-21(30)26-11-15(22(28)31)8-14-9-16(25)5-7-20(14)35-2/h4-7,9-10,15,18,29H,3,8,11-12H2,1-2H3,(H,26,30)(H,27,34)(H,32,33)
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 410n/an/an/an/an/an/a



Daiichi Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant chymase


Bioorg Med Chem Lett 17: 3435-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.085
BindingDB Entry DOI: 10.7270/Q2MK6CKH
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50210725
PNG
(5-(1-(6-(5-chloro-2-methoxybenzyl)-2,5-dioxo-1,4-d...)
Show SMILES CCC(NC(=O)N1CC(=O)NCC(Cc2cc(Cl)ccc2OC)C1=O)c1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C24H26ClN3O7/c1-3-18(13-4-6-19(29)17(10-13)23(32)33)27-24(34)28-12-21(30)26-11-15(22(28)31)8-14-9-16(25)5-7-20(14)35-2/h4-7,9-10,15,18,29H,3,8,11-12H2,1-2H3,(H,26,30)(H,27,34)(H,32,33)
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 4.10E+3n/an/an/an/an/an/a



Daiichi Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant chymase


Bioorg Med Chem Lett 17: 3435-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.085
BindingDB Entry DOI: 10.7270/Q2MK6CKH
More data for this
Ligand-Target Pair