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BDBM241447 US9409908, 79

SMILES: COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@@H](c3cc-2ccn3)n2ncc(cc2=O)-c2c(F)c(Cl)ccc2C#N)c1

InChI Key: InChIKey=SUNUOUSWUILJOO-KYYURAGRNA-N

Data: 2 KI

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 = 241447   
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
Coagulation factor IX


(Homo sapiens (Human))
BDBM241447
PNG
(US9409908, 79)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@@H](c3cc-2ccn3)n2ncc(cc2=O)-c2c(F)c(Cl)ccc2C#N)c1 |r|
Show InChI InChI=1/C31H26ClFN6O4/c1-17-4-3-5-26(39-27(40)13-20(16-36-39)28-19(15-34)6-9-23(32)29(28)33)25-12-18(10-11-35-25)22-8-7-21(37-31(42)43-2)14-24(22)38-30(17)41/h6-14,16-17,26H,3-5H2,1-2H3,(H,37,42)(H,38,41)/t17-,26+/s2
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
US Patent
0.550n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9409908 (2016)


BindingDB Entry DOI: 10.7270/Q27943K8
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM241447
PNG
(US9409908, 79)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@@H](c3cc-2ccn3)n2ncc(cc2=O)-c2c(F)c(Cl)ccc2C#N)c1 |r|
Show InChI InChI=1/C31H26ClFN6O4/c1-17-4-3-5-26(39-27(40)13-20(16-36-39)28-19(15-34)6-9-23(32)29(28)33)25-12-18(10-11-35-25)22-8-7-21(37-31(42)43-2)14-24(22)38-30(17)41/h6-14,16-17,26H,3-5H2,1-2H3,(H,37,42)(H,38,41)/t17-,26+/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
3 -11.6n/an/an/an/an/an/a25



Bristol-Myers Squibb Company

US Patent


Assay Description
Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. De...


US Patent US9409908 (2016)


BindingDB Entry DOI: 10.7270/Q27943K8
More data for this
Ligand-Target Pair