BindingDB logo
myBDB logout

null

SMILES: Clc1ccccc1OC(=O)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CCCCN1CCCS1(=O)=O)NC1CCCCC1

InChI Key: InChIKey=ODFNHJHVFFTZSL-IZLXSDGUSA-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 = 476421   
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 XII


(Homo sapiens (Human))		BDBM476421
PNG
(2-chlorophenyl (3S)-4-[N-cyclohexyl- 6-(1,1-dioxid...)
Show SMILES Clc1ccccc1OC(=O)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CCCCN1CCCS1(=O)=O)NC1CCCCC1 |r|
Show InChI InChI=1S/C32H44ClN5O6S2/c33-26-13-4-5-15-29(26)44-32(41)36-18-19-38(28(23-36)30(39)34-22-25-12-8-20-45-25)31(40)27(35-24-10-2-1-3-11-24)14-6-7-16-37-17-9-21-46(37,42)43/h4-5,8,12-13,15,20,24,27-28,35H,1-3,6-7,9-11,14,16-19,21-23H2,(H,34,39)/t27-,28+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.60n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIIa can be determined using a relevant purified serin...

US Patent US10875851 (2020)

More data for this
Ligand-Target Pair