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BDBM109671 US8609715, B-28

SMILES: CCC[C@H](Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N[C@@H](CC(O)=O)C(O)=O

InChI Key: InChIKey=DCNHFHNFBDBZOO-DOMZBBRYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 109671   
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
Trypsin-1


(Homo sapiens (human))
BDBM109671
PNG
(US8609715, B-28)
Show SMILES CCC[C@H](Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C22H24FN3O7S/c1-2-3-12(20(29)26-15(21(30)31)10-18(27)28)8-13-5-7-17(34-13)22(32)33-16-6-4-11(19(24)25)9-14(16)23/h4-7,9,12,15H,2-3,8,10H2,1H3,(H3,24,25)(H,26,29)(H,27,28)(H,30,31)/t12-,15+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
0.430n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

US Patent


Assay Description
Inhibition assay using human trysin.


Citation and Details
More data for this
Ligand-Target Pair
Enteropeptidase


(Homo sapiens (Human))
BDBM109671
PNG
(US8609715, B-28)
Show SMILES CCC[C@H](Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C22H24FN3O7S/c1-2-3-12(20(29)26-15(21(30)31)10-18(27)28)8-13-5-7-17(34-13)22(32)33-16-6-4-11(19(24)25)9-14(16)23/h4-7,9,12,15H,2-3,8,10H2,1H3,(H3,24,25)(H,26,29)(H,27,28)(H,30,31)/t12-,15+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
1.10n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

US Patent


Assay Description
Inhibition assay using human enteropeptidase.


Citation and Details
More data for this
Ligand-Target Pair