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BDBM263326 3-amino-1-[4-(2-oxo-2h-pyridin-1-ylmethyl)-benzyl]-1h-pyrazole-4-carboxylicacid (1h-indazol-4-ylmethyl)-amide::US9533987, example 113

SMILES: Nc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cccc2[nH]ncc12

InChI Key: InChIKey=XAOAFFYPRSRGEH-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 263326   
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
Kallikrein 1


(Homo sapiens (Human))
BDBM263326
PNG
(3-amino-1-[4-(2-oxo-2h-pyridin-1-ylmethyl)-benzyl]...)
Show SMILES Nc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cccc2[nH]ncc12
Show InChI InChI=1S/C25H23N7O2/c26-24-21(25(34)27-12-19-4-3-5-22-20(19)13-28-29-22)16-32(30-24)15-18-9-7-17(8-10-18)14-31-11-2-1-6-23(31)33/h1-11,13,16H,12,14-15H2,(H2,26,30)(H,27,34)(H,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.95E+3n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Human serine protease enzymes plasmin, thrombin, trypsin, Factor Xa and Factor XIIa were assayed for enzymatic activity using an appropriate fluoroge...


US Patent US9533987 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6G78
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM263326
PNG
(3-amino-1-[4-(2-oxo-2h-pyridin-1-ylmethyl)-benzyl]...)
Show SMILES Nc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cccc2[nH]ncc12
Show InChI InChI=1S/C25H23N7O2/c26-24-21(25(34)27-12-19-4-3-5-22-20(19)13-28-29-22)16-32(30-24)15-18-9-7-17(8-10-18)14-31-11-2-1-6-23(31)33/h1-11,13,16H,12,14-15H2,(H2,26,30)(H,27,34)(H,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 13.3n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...


US Patent US9533987 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6G78
More data for this
Ligand-Target Pair