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BDBM162598 US9687479, 78 3-(5-[(5-chlorothiophen-2-yl)methyl]amino-1-(2,2-dimethylpropanoyl)-1H-pyrazol-3-yl)-1-(furan-3-ylmethyl)-1,2-dihydropyridin-2-one

SMILES: CC(C)(C)C(=O)n1nc(cc1NCc1ccc(Cl)s1)-c1cccn(Cc2ccoc2)c1=O

InChI Key: InChIKey=HQUZKKUSBLWCSM-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 = 162598   
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM162598
PNG
(US9687479, 78 3-(5-[(5-chlorothiophen-2-yl)methyl]...)
Show SMILES CC(C)(C)C(=O)n1nc(cc1NCc1ccc(Cl)s1)-c1cccn(Cc2ccoc2)c1=O
Show InChI InChI=1S/C23H23ClN4O3S/c1-23(2,3)22(30)28-20(25-12-16-6-7-19(24)32-16)11-18(26-28)17-5-4-9-27(21(17)29)13-15-8-10-31-14-15/h4-11,14,25H,12-13H2,1-3H3
PDB

UniProtKB/SwissProt

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