BindingDB logo
myBDB logout

null

SMILES: C[C@@H](N(Cc1csc(c1)C(O)=O)C(=O)c1ccc2cc(OC(=O)c3ccc(NC(N)=N)cc3)ccc2n1)C(O)=O

InChI Key: InChIKey=DMQMZHJLQOERFT-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 2 hits for monomerid = 193415   
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))
BDBM193415
PNG
(US9199927, 102)
Show SMILES C[C@@H](N(Cc1csc(c1)C(O)=O)C(=O)c1ccc2cc(OC(=O)c3ccc(NC(N)=N)cc3)ccc2n1)C(O)=O |r|
Show InChI InChI=1S/C27H23N5O7S/c1-14(24(34)35)32(12-15-10-22(25(36)37)40-13-15)23(33)21-8-4-17-11-19(7-9-20(17)31-21)39-26(38)16-2-5-18(6-3-16)30-27(28)29/h2-11,13-14H,12H2,1H3,(H,34,35)(H,36,37)(H4,28,29,30)/t14-/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.300n/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))
BDBM193415
PNG
(US9199927, 102)
Show SMILES C[C@@H](N(Cc1csc(c1)C(O)=O)C(=O)c1ccc2cc(OC(=O)c3ccc(NC(N)=N)cc3)ccc2n1)C(O)=O |r|
Show InChI InChI=1S/C27H23N5O7S/c1-14(24(34)35)32(12-15-10-22(25(36)37)40-13-15)23(33)21-8-4-17-11-19(7-9-20(17)31-21)39-26(38)16-2-5-18(6-3-16)30-27(28)29/h2-11,13-14H,12H2,1H3,(H,34,35)(H,36,37)(H4,28,29,30)/t14-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.290n/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