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BDBM241459 US9409908, 91

SMILES: C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2ccc(N)cc2NC1=O)n1ccc(cc1=O)-c1c(F)ccc(Cl)c1F

InChI Key: InChIKey=QFJLWQWOKYLTEQ-IPYABCFHNA-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 = 241459   
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))
BDBM241459
PNG
(US9409908, 91)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2ccc(N)cc2NC1=O)n1ccc(cc1=O)-c1c(F)ccc(Cl)c1F |r|
Show InChI InChI=1/C29H25ClF2N4O2/c1-16-3-2-4-25(36-12-10-18(14-26(36)37)27-22(31)8-7-21(30)28(27)32)24-13-17(9-11-34-24)20-6-5-19(33)15-23(20)35-29(16)38/h5-16,25H,2-4,33H2,1H3,(H,35,38)/t16-,25+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.560n/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))
BDBM241459
PNG
(US9409908, 91)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2ccc(N)cc2NC1=O)n1ccc(cc1=O)-c1c(F)ccc(Cl)c1F |r|
Show InChI InChI=1/C29H25ClF2N4O2/c1-16-3-2-4-25(36-12-10-18(14-26(36)37)27-22(31)8-7-21(30)28(27)32)24-13-17(9-11-34-24)20-6-5-19(33)15-23(20)35-29(16)38/h5-16,25H,2-4,33H2,1H3,(H,35,38)/t16-,25+/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
3 -12.1n/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