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BDBM162675 US9687479, 155 3-(5-[(5-chlorothiophen-2-yl)methyl]amino-1-[(4-methyloxan-4-yl)carbonyl]-1H-pyrazol-3-yl)-1-(pyridin-4-ylmethyl)-1,2-dihydropyridin-2-one

SMILES: CC1(CCOCC1)C(=O)n1nc(cc1NCc1ccc(Cl)s1)-c1cccn(Cc2ccncc2)c1=O

InChI Key: InChIKey=CLNQARYIDJUFPK-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 = 162675   
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))
BDBM162675
PNG
(US9687479, 155 3-(5-[(5-chlorothiophen-2-yl)methyl...)
Show SMILES CC1(CCOCC1)C(=O)n1nc(cc1NCc1ccc(Cl)s1)-c1cccn(Cc2ccncc2)c1=O
Show InChI InChI=1S/C26H26ClN5O3S/c1-26(8-13-35-14-9-26)25(34)32-23(29-16-19-4-5-22(27)36-19)15-21(30-32)20-3-2-12-31(24(20)33)17-18-6-10-28-11-7-18/h2-7,10-12,15,29H,8-9,13-14,16-17H2,1H3
PDB

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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