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BDBM241519 US9409908, 151

SMILES: COC(=O)Nc1ccc2-c3nc([nH]c3C)[C@H](CCC[C@@H](C)C(=O)Nc2c1)N1CCC(=CC1=O)c1cccc(Cl)c1F

InChI Key: InChIKey=WAOCKKDDKYQOKO-GYCJOSAFSA-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 = 241519   
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))
BDBM241519
PNG
(US9409908, 151)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3C)[C@H](CCC[C@@H](C)C(=O)Nc2c1)N1CCC(=CC1=O)c1cccc(Cl)c1F
Show InChI InChI=1S/C30H31ClFN5O4/c1-16-6-4-9-24(37-13-12-18(14-25(37)38)20-7-5-8-22(31)26(20)32)28-33-17(2)27(36-28)21-11-10-19(34-30(40)41-3)15-23(21)35-29(16)39/h5,7-8,10-11,14-16,24H,4,6,9,12-13H2,1-3H3,(H,33,36)(H,34,40)(H,35,39)/t16-,24+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
0.840n/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))
BDBM241519
PNG
(US9409908, 151)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3C)[C@H](CCC[C@@H](C)C(=O)Nc2c1)N1CCC(=CC1=O)c1cccc(Cl)c1F
Show InChI InChI=1S/C30H31ClFN5O4/c1-16-6-4-9-24(37-13-12-18(14-25(37)38)20-7-5-8-22(31)26(20)32)28-33-17(2)27(36-28)21-11-10-19(34-30(40)41-3)15-23(21)35-29(16)39/h5,7-8,10-11,14-16,24H,4,6,9,12-13H2,1-3H3,(H,33,36)(H,34,40)(H,35,39)/t16-,24+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
23.8 -10.8n/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