BindingDB logo
myBDB logout

null

SMILES: OC(=O)c1nnc(Cc2cc(cn3cc(Cn4cc(nn4)C(=O)NCc4cn5c(F)c(Cl)ccc5n4)nc23)C2CC2)o1

InChI Key: InChIKey=BMCVXVOXDQSAET-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 1 hit for monomerid = 455192   
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))		BDBM455192
PNG
(US10730874, Compound I-210a)
Show SMILES OC(=O)c1nnc(Cc2cc(cn3cc(Cn4cc(nn4)C(=O)NCc4cn5c(F)c(Cl)ccc5n4)nc23)C2CC2)o1
Show InChI InChI=1S/C26H20ClFN10O4/c27-18-3-4-20-30-16(11-38(20)22(18)28)7-29-24(39)19-12-37(35-32-19)10-17-9-36-8-15(13-1-2-13)5-14(23(36)31-17)6-21-33-34-25(42-21)26(40)41/h3-5,8-9,11-13H,1-2,6-7,10H2,(H,29,39)(H,40,41)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<1n/an/an/an/a



Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...

US Patent US10730874 (2020)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
More data for this
Ligand-Target Pair