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BDBM163343 US9687479, 245 3-1-[(2-chlorophenyl)carbonyl]-5-[(5-chlorothiophen-2-yl)methyl]amino-1H-pyrazol-3-yl-1-(pyridazin-3-ylmethyl)-1,2-dihydropyridin-2-one

SMILES: Clc1ccc(CNc2cc(nn2C(=O)c2ccccc2Cl)-c2cccn(Cc3cccnn3)c2=O)s1

InChI Key: InChIKey=CZVNXVPBQCMCTN-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 = 163343   
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))
BDBM163343
PNG
(US9687479, 245 3-1-[(2-chlorophenyl)carbonyl]-5-[(...)
Show SMILES Clc1ccc(CNc2cc(nn2C(=O)c2ccccc2Cl)-c2cccn(Cc3cccnn3)c2=O)s1
Show InChI InChI=1S/C25H18Cl2N6O2S/c26-20-8-2-1-6-18(20)25(35)33-23(28-14-17-9-10-22(27)36-17)13-21(31-33)19-7-4-12-32(24(19)34)15-16-5-3-11-29-30-16/h1-13,28H,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