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BDBM241555 US9409908, 187

SMILES: C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)c(Cl)ccc2C(F)(F)F)c2cc(ccn2)-c2cc(ccc2NC1=O)C(O)=O

InChI Key: InChIKey=OUXKGHOTTHIOQL-CPJLOUKISA-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 = 241555   
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 and X


(Homo sapiens (human))
BDBM241555
PNG
(US9409908, 187)
Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)c(Cl)ccc2C(F)(F)F)c2cc(ccn2)-c2cc(ccc2NC1=O)C(O)=O
Show InChI InChI=1S/C31H26ClF4N3O4/c1-16-3-2-4-25(24-14-17(9-11-37-24)20-13-19(30(42)43)5-8-23(20)38-29(16)41)39-12-10-18(15-26(39)40)27-21(31(34,35)36)6-7-22(32)28(27)33/h5-9,11,13-16,25H,2-4,10,12H2,1H3,(H,38,41)(H,42,43)/t16-,25+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
0.440n/an/an/an/an/an/an/an/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))
BDBM241555
PNG
(US9409908, 187)
Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)c(Cl)ccc2C(F)(F)F)c2cc(ccn2)-c2cc(ccc2NC1=O)C(O)=O
Show InChI InChI=1S/C31H26ClF4N3O4/c1-16-3-2-4-25(24-14-17(9-11-37-24)20-13-19(30(42)43)5-8-23(20)38-29(16)41)39-12-10-18(15-26(39)40)27-21(31(34,35)36)6-7-22(32)28(27)33/h5-9,11,13-16,25H,2-4,10,12H2,1H3,(H,38,41)(H,42,43)/t16-,25+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
17.4 -11.0n/an/an/an/an/an/a37



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