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BDBM303800 2-(11′-Chloro-2′,5′-dioxo-2′,5′,6′,8′-tetrahydro-3′H-spiro[cyclopropane-1,7′-pyrido[3,4-e][3]benzazocine]-3′-yl)-N-(1H-indazol-5-yl)-4-methoxybutanamide (Stereoisomer Mixture)::US10138236, Example 18

SMILES: COCCC(C(=O)Nc1ccc2[nH]ncc2c1)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC1(CC1)NC2=O

InChI Key:

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 = 303800   
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))
BDBM303800
PNG
(2-(11′-Chloro-2′,5′-dioxo-2̸...)
Show SMILES COCCC(C(=O)Nc1ccc2[nH]ncc2c1)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC1(CC1)NC2=O |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 330n/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))
BDBM303800
PNG
(2-(11′-Chloro-2′,5′-dioxo-2̸...)
Show SMILES COCCC(C(=O)Nc1ccc2[nH]ncc2c1)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC1(CC1)NC2=O |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 21n/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