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SMILES: CCC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc2c(cc1=O)-c1cc(Cl)ccc1CCNC2=O

InChI Key: InChIKey=QTIMNPKDOKJHOR-UHFFFAOYSA-N

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 = 303788   
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))
BDBM303788
PNG
(4-{[2-(11-Chloro-2,5-dioxo-5,6,7,8-tetrahydropyrid...)
Show SMILES CCC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc2c(cc1=O)-c1cc(Cl)ccc1CCNC2=O |$;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C25H22ClN3O5/c1-2-21(24(32)28-17-7-4-15(5-8-17)25(33)34)29-13-20-19(12-22(29)30)18-11-16(26)6-3-14(18)9-10-27-23(20)31/h3-8,11-13,21H,2,9-10H2,1H3,(H,27,31)(H,28,32)(H,33,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.90E+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))
BDBM303788
PNG
(4-{[2-(11-Chloro-2,5-dioxo-5,6,7,8-tetrahydropyrid...)
Show SMILES CCC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc2c(cc1=O)-c1cc(Cl)ccc1CCNC2=O |$;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C25H22ClN3O5/c1-2-21(24(32)28-17-7-4-15(5-8-17)25(33)34)29-13-20-19(12-22(29)30)18-11-16(26)6-3-14(18)9-10-27-23(20)31/h3-8,11-13,21H,2,9-10H2,1H3,(H,27,31)(H,28,32)(H,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 28n/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