BindingDB logo
myBDB logout

BDBM241468 US9409908, 100

SMILES: CC(C)[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)c(Cl)ccc2-n2cnnn2)c2cc(ccn2)-c2ccccc2NC1=O

InChI Key: InChIKey=OWBNSFCRELNSPK-CUNXSJBXSA-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 = 241468   
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))
BDBM241468
PNG
(US9409908, 100)
Show SMILES CC(C)[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)c(Cl)ccc2-n2cnnn2)c2cc(ccn2)-c2ccccc2NC1=O
Show InChI InChI=1S/C32H31ClFN7O2/c1-19(2)22-7-5-9-27(26-16-20(12-14-35-26)23-6-3-4-8-25(23)37-32(22)43)40-15-13-21(17-29(40)42)30-28(41-18-36-38-39-41)11-10-24(33)31(30)34/h3-4,6,8,10-12,14,16-19,22,27H,5,7,9,13,15H2,1-2H3,(H,37,43)/t22-,27-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0900n/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))
BDBM241468
PNG
(US9409908, 100)
Show SMILES CC(C)[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)c(Cl)ccc2-n2cnnn2)c2cc(ccn2)-c2ccccc2NC1=O
Show InChI InChI=1S/C32H31ClFN7O2/c1-19(2)22-7-5-9-27(26-16-20(12-14-35-26)23-6-3-4-8-25(23)37-32(22)43)40-15-13-21(17-29(40)42)30-28(41-18-36-38-39-41)11-10-24(33)31(30)34/h3-4,6,8,10-12,14,16-19,22,27H,5,7,9,13,15H2,1-2H3,(H,37,43)/t22-,27-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
4 -11.9n/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