BindingDB logo
myBDB logout

BDBM162679 US9687479, 159 3-(5-[(5-chlorothiophen-2-yl)methyl]amino-1-[(4-methyloxan-4-yl)carbonyl]-1H-pyrazol-3-yl)-1-[2-(morpholin-4-yl)ethyl]-1,2-dihydropyridin-2-one

SMILES: CC1(CCOCC1)C(=O)n1nc(cc1NCc1ccc(Cl)s1)-c1cccn(CCN2CCOCC2)c1=O

InChI Key: InChIKey=AUCPISHNCKKCKY-UHFFFAOYSA-N

Data: 1 IC50

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 = 162679   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM162679
PNG
(US9687479, 159 3-(5-[(5-chlorothiophen-2-yl)methyl...)
Show SMILES CC1(CCOCC1)C(=O)n1nc(cc1NCc1ccc(Cl)s1)-c1cccn(CCN2CCOCC2)c1=O
Show InChI InChI=1S/C26H32ClN5O4S/c1-26(6-13-35-14-7-26)25(34)32-23(28-18-19-4-5-22(27)37-19)17-21(29-32)20-3-2-8-31(24(20)33)10-9-30-11-15-36-16-12-30/h2-5,8,17,28H,6-7,9-16,18H2,1H3
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+5n/an/an/an/a7.425



VERSEON CORPORATION

US Patent


Assay Description
Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in...


US Patent US9687479 (2017)


BindingDB Entry DOI: 10.7270/Q2N29V4R
More data for this
Ligand-Target Pair