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BDBM234250 US9346821, B-20

SMILES: NC(=N)c1ccc(OC(=O)c2ccc(CN3CSC[C@H]3C(=O)N[C@@H](CC(O)=O)C(O)=O)s2)c(F)c1

InChI Key: InChIKey=RFEWBKIWAZDYIJ-KBPBESRZSA-N

Data: 2 KI

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 = 234250   
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
Enteropeptidase


(Homo sapiens (Human))
BDBM234250
PNG
(US9346821, B-20)
Show SMILES NC(=N)c1ccc(OC(=O)c2ccc(CN3CSC[C@H]3C(=O)N[C@@H](CC(O)=O)C(O)=O)s2)c(F)c1
Show InChI InChI=1S/C21H21FN4O7S2/c22-12-5-10(18(23)24)1-3-15(12)33-21(32)16-4-2-11(35-16)7-26-9-34-8-14(26)19(29)25-13(20(30)31)6-17(27)28/h1-5,13-14H,6-9H2,(H3,23,24)(H,25,29)(H,27,28)(H,30,31)/t13-,14-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.150n/an/an/an/an/an/an/an/a



AJINOMOTO CO., INC.

US Patent


Assay Description
Using a 96 well plate (#3915, Costar), a test compound (25 μL) was mixed with 20 μM fluorescence enzyme substrate (Boc-Phe-Ser-Arg-AMC, 50 ...


Citation and Details
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM234250
PNG
(US9346821, B-20)
Show SMILES NC(=N)c1ccc(OC(=O)c2ccc(CN3CSC[C@H]3C(=O)N[C@@H](CC(O)=O)C(O)=O)s2)c(F)c1
Show InChI InChI=1S/C21H21FN4O7S2/c22-12-5-10(18(23)24)1-3-15(12)33-21(32)16-4-2-11(35-16)7-26-9-34-8-14(26)19(29)25-13(20(30)31)6-17(27)28/h1-5,13-14H,6-9H2,(H3,23,24)(H,25,29)(H,27,28)(H,30,31)/t13-,14-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.210n/an/an/an/an/an/an/an/a



AJINOMOTO CO., INC.

US Patent


Assay Description
Using a 96 well plate (#3915, Costar), a test compound (25 μL), 400 mM Tris-HCl buffer (pH 8.0, 25 μL) and 0.5 mg/mL fluorescence enzyme su...


Citation and Details
More data for this
Ligand-Target Pair