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SMILES: NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CCC(=O)N(CC(O)=O)Cc2cccc(CC(O)=O)c2)c(Cl)c1

InChI Key: InChIKey=RZBGZSWATUVCHE-UHFFFAOYSA-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 2 hits for monomerid = 193367   
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
Trypsinogen 16


(Mus musculus (Mouse))
BDBM193367
PNG
(US9199927, 78)
Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CCC(=O)N(CC(O)=O)Cc2cccc(CC(O)=O)c2)c(Cl)c1
Show InChI InChI=1S/C28H27ClN4O7/c29-23-14-22(40-27(39)20-4-8-21(9-5-20)32-28(30)31)10-6-19(23)7-11-24(34)33(16-26(37)38)15-18-3-1-2-17(12-18)13-25(35)36/h1-6,8-10,12,14H,7,11,13,15-16H2,(H,35,36)(H,37,38)(H4,30,31,32)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.390n/an/an/an/a8.025



Astellas Pharma Inc.

US Patent


Assay Description
The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...


US Patent US9199927 (2015)


BindingDB Entry DOI: 10.7270/Q2P26WXN
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM193367
PNG
(US9199927, 78)
Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CCC(=O)N(CC(O)=O)Cc2cccc(CC(O)=O)c2)c(Cl)c1
Show InChI InChI=1S/C28H27ClN4O7/c29-23-14-22(40-27(39)20-4-8-21(9-5-20)32-28(30)31)10-6-19(23)7-11-24(34)33(16-26(37)38)15-18-3-1-2-17(12-18)13-25(35)36/h1-6,8-10,12,14H,7,11,13,15-16H2,(H,35,36)(H,37,38)(H4,30,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.490n/an/an/an/a8.025



Astellas Pharma Inc.

US Patent


Assay Description
The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...


US Patent US9199927 (2015)


BindingDB Entry DOI: 10.7270/Q2P26WXN
More data for this
Ligand-Target Pair