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BDBM241460 US9409908, 92

SMILES: C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2ccc(Nc3ncccn3)cc2NC1=O)n1ccc(cc1=O)-c1c(F)ccc(Cl)c1F

InChI Key: InChIKey=ONIHHUWDVFUCAR-GDJIYFAZSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 241460   
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))
BDBM241460
PNG
(US9409908, 92)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2ccc(Nc3ncccn3)cc2NC1=O)n1ccc(cc1=O)-c1c(F)ccc(Cl)c1F
Show InChI InChI=1S/C33H27ClF2N6O2/c1-19-4-2-5-28(42-15-11-21(17-29(42)43)30-25(35)9-8-24(34)31(30)36)27-16-20(10-14-37-27)23-7-6-22(18-26(23)41-32(19)44)40-33-38-12-3-13-39-33/h3,6-19,28H,2,4-5H2,1H3,(H,41,44)(H,38,39,40)/t19-,28+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
0.560n/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))
BDBM241460
PNG
(US9409908, 92)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2ccc(Nc3ncccn3)cc2NC1=O)n1ccc(cc1=O)-c1c(F)ccc(Cl)c1F
Show InChI InChI=1S/C33H27ClF2N6O2/c1-19-4-2-5-28(42-15-11-21(17-29(42)43)30-25(35)9-8-24(34)31(30)36)27-16-20(10-14-37-27)23-7-6-22(18-26(23)41-32(19)44)40-33-38-12-3-13-39-33/h3,6-19,28H,2,4-5H2,1H3,(H,41,44)(H,38,39,40)/t19-,28+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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