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BDBM163366 US9687479, 261 tert-butyl 2-[3-(5-[(5-chlorothiophen-2-yl)methyl]amino-1-(2,2-dimethylpropanoyl)-1H-pyrazol-3-yl)-2-oxo-1,2-dihydropyridin-1-yl]acetate

SMILES: CC(C)(C)OC(=O)Cn1cccc(-c2cc(NCc3ccc(Cl)s3)n(n2)C(=O)C(C)(C)C)c1=O

InChI Key: InChIKey=TXLDRIZGWSTRIY-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 163366   
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))
BDBM163366
PNG
(US9687479, 261 tert-butyl 2-[3-(5-[(5-chlorothioph...)
Show SMILES CC(C)(C)OC(=O)Cn1cccc(-c2cc(NCc3ccc(Cl)s3)n(n2)C(=O)C(C)(C)C)c1=O
Show InChI InChI=1S/C24H29ClN4O4S/c1-23(2,3)22(32)29-19(26-13-15-9-10-18(25)34-15)12-17(27-29)16-8-7-11-28(21(16)31)14-20(30)33-24(4,5)6/h7-12,26H,13-14H2,1-6H3
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