BindingDB logo
myBDB logout

BDBM162662 US9687479, 142 3-(5-[(5-chlorothiophen-2-yl)methyl]amino-1-[(2-methoxyphenyl)carbonyl]-1H-pyrazol-3-yl)-1-(pyrimidin-2-ylmethyl)-1,2-dihydropyridin-2-one

SMILES: COc1ccccc1C(=O)n1nc(cc1NCc1ccc(Cl)s1)-c1cccn(Cc2ncccn2)c1=O

InChI Key: InChIKey=YPKKWVXBIKTWBN-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 = 162662   
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))
BDBM162662
PNG
(US9687479, 142 3-(5-[(5-chlorothiophen-2-yl)methyl...)
Show SMILES COc1ccccc1C(=O)n1nc(cc1NCc1ccc(Cl)s1)-c1cccn(Cc2ncccn2)c1=O
Show InChI InChI=1S/C26H21ClN6O3S/c1-36-21-8-3-2-6-19(21)26(35)33-24(30-15-17-9-10-22(27)37-17)14-20(31-33)18-7-4-13-32(25(18)34)16-23-28-11-5-12-29-23/h2-14,30H,15-16H2,1H3
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/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