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SMILES: CC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1ccc(CN)c(Cl)c1)C1=N[C@@H](C)[C@@H](O1)c1ccccc1

InChI Key: InChIKey=VKXPQMNAPRQLQO-BJHVCKBZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 476523   
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))		BDBM476523
PNG
((2S)-N-[4-(aminomethyl)-3- chlorobenzyl]-1-[N-(1-m...)
Show SMILES CC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1ccc(CN)c(Cl)c1)C1=N[C@@H](C)[C@@H](O1)c1ccccc1 |r,t:39|
Show InChI InChI=1S/C37H54ClN7O3/c1-26(2)41-32(14-8-11-19-43-17-9-5-10-18-43)36(47)45-21-20-44(37-42-27(3)34(48-37)29-12-6-4-7-13-29)25-33(45)35(46)40-24-28-15-16-30(23-39)31(38)22-28/h4,6-7,12-13,15-16,22,26-27,32-34,41H,5,8-11,14,17-21,23-25,39H2,1-3H3,(H,40,46)/t27-,32+,33-,34+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.70n/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