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SMILES: NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCN1C(=O)C1(O)CCc2ncccc12

InChI Key: InChIKey=LNKIIANVLQTZIF-YMXDCFFPSA-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 = 252997   
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
Prothrombin


(Homo sapiens (Human))		BDBM252997
PNG
(US9469608, 26-12)
Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCN1C(=O)C1(O)CCc2ncccc12 |r|
Show InChI InChI=1S/C21H23ClN4O3/c22-15-4-3-13(11-23)14(10-15)12-25-19(27)18-6-9-26(18)20(28)21(29)7-5-17-16(21)2-1-8-24-17/h1-4,8,10,18,29H,5-7,9,11-12,23H2,(H,25,27)/t18-,21?/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 325n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...

US Patent US9469608 (2016)


BindingDB Entry DOI: 10.7270/Q2F18XNQ
More data for this
Ligand-Target Pair