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BDBM162638 US9687479, 118 3-(5-[(5-chlorothiophen-2-yl)methyl]amino-1-[(2,3-dihydro-1,4-benzodioxin-5-yl)carbonyl]-1H-pyrazol-3-yl)-1-(thiophen-3-ylmethyl)-1,2-dihydropyridin-2-one

SMILES: Clc1ccc(CNc2cc(nn2C(=O)c2cccc3OCCOc23)-c2cccn(Cc3ccsc3)c2=O)s1

InChI Key: InChIKey=UEUNUHNVMNMQQY-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 = 162638   
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))
BDBM162638
PNG
(US9687479, 118 3-(5-[(5-chlorothiophen-2-yl)methyl...)
Show SMILES Clc1ccc(CNc2cc(nn2C(=O)c2cccc3OCCOc23)-c2cccn(Cc3ccsc3)c2=O)s1
Show InChI InChI=1S/C27H21ClN4O4S2/c28-23-7-6-18(38-23)14-29-24-13-21(19-4-2-9-31(26(19)33)15-17-8-12-37-16-17)30-32(24)27(34)20-3-1-5-22-25(20)36-11-10-35-22/h1-9,12-13,16,29H,10-11,14-15H2
PDB

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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