BindingDB logo
myBDB logout

null

SMILES: CC[C@H](CC(O)=O)n1c(=O)n(Cc2nsc3cc(C)cc(C)c23)c2ccncc2c1=O

InChI Key: InChIKey=AECRQJJIEFJLKA-CQSZACIVSA-N

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 1 hit for monomerid = 100329   
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))		BDBM100329
PNG
(US8501749, 29)
Show SMILES CC[C@H](CC(O)=O)n1c(=O)n(Cc2nsc3cc(C)cc(C)c23)c2ccncc2c1=O |r|
Show InChI InChI=1S/C22H22N4O4S/c1-4-14(9-19(27)28)26-21(29)15-10-23-6-5-17(15)25(22(26)30)11-16-20-13(3)7-12(2)8-18(20)31-24-16/h5-8,10,14H,4,9,11H2,1-3H3,(H,27,28)/t14-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
US Patent
n/an/a 9.90n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.

US Patent US8501749 (2013)


BindingDB Entry DOI: 10.7270/Q28G8JB2
More data for this
Ligand-Target Pair