BindingDB logo
myBDB logout

BDBM303784 2-(10-Chloro-2,5-dioxo-2,5,6,7-tetrahydro-3H-pyrido[3,4-d][2]benzazepin-3-yl)-N-[4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]butanamide (Stereoisomer Mixture)::US10138236, Example 2

SMILES: CCC(C(=O)Nc1ccc(cc1)-c1noc(=O)[nH]1)n1cc2c(cc1=O)-c1cc(Cl)ccc1CNC2=O

InChI Key: InChIKey=ISVJPGYUZXHMRW-UHFFFAOYSA-N

Data: 2 IC50

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 = 303784   
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
Plasma kallikrein


(Homo sapiens (Human))
BDBM303784
PNG
(2-(10-Chloro-2,5-dioxo-2,5,6,7-tetrahydro-3H-pyrid...)
Show SMILES CCC(C(=O)Nc1ccc(cc1)-c1noc(=O)[nH]1)n1cc2c(cc1=O)-c1cc(Cl)ccc1CNC2=O |$;;;;;HN;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C25H20ClN5O5/c1-2-20(24(34)28-16-7-4-13(5-8-16)22-29-25(35)36-30-22)31-12-19-18(10-21(31)32)17-9-15(26)6-3-14(17)11-27-23(19)33/h3-10,12,20H,2,11H2,1H3,(H,27,33)(H,28,34)(H,29,30,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.90E+3n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
o determine the plasma kallikrein inhibition of the substances according to the invention, a biochemical test system is used which utilizes the react...


US Patent US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM303784
PNG
(2-(10-Chloro-2,5-dioxo-2,5,6,7-tetrahydro-3H-pyrid...)
Show SMILES CCC(C(=O)Nc1ccc(cc1)-c1noc(=O)[nH]1)n1cc2c(cc1=O)-c1cc(Cl)ccc1CNC2=O |$;;;;;HN;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C25H20ClN5O5/c1-2-20(24(34)28-16-7-4-13(5-8-16)22-29-25(35)36-30-22)31-12-19-18(10-21(31)32)17-9-15(26)6-3-14(17)11-27-23(19)33/h3-10,12,20H,2,11H2,1H3,(H,27,33)(H,28,34)(H,29,30,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 280n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The factor XIa inhibition of the substances according to the invention is determined using a biochemical test system which utilizes the reaction of a...


US Patent US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair