null

SMILES: COc1cc(CNC(=O)[C@@H]2CN(CCN2C(=O)[C@@H](CCCCN(C)C)NC2CCC(CN)CC2)C(=O)Oc2ccc3ccccc3c2Cl)ccc1CN

InChI Key: InChIKey=AGTKCJQDBPLCPC-GIZZIATHSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 476436   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Coagulation factor XII (Homo sapiens (Human))	BDBM476436 (1-chloronaphthalen-2-yl (3S)-4-{N2- [4-(aminomethy...) Show SMILES COc1cc(CNC(=O)[C@@H]2CN(CCN2C(=O)[C@@H](CCCCN(C)C)NC2CCC(CN)CC2)C(=O)Oc2ccc3ccccc3c2Cl)ccc1CN |r,wU:9.8,wD:17.25,(5.33,2.7,;6.67,1.93,;6.67,.39,;5.33,-.38,;5.33,-1.92,;4,-2.69,;2.67,-1.92,;1.33,-2.69,;1.33,-4.23,;,-1.92,;,-.38,;-1.33,.39,;-2.67,-.38,;-2.67,-1.92,;-1.33,-2.69,;-1.33,-4.23,;,-5,;-2.67,-5,;-4,-4.23,;-5.33,-5,;-6.67,-4.23,;-8,-5,;-9.34,-4.23,;-10.67,-5,;-9.34,-2.69,;-2.67,-6.54,;-1.33,-7.31,;-1.33,-8.85,;,-9.62,;1.33,-8.85,;2.67,-9.62,;4,-8.85,;1.33,-7.31,;,-6.54,;-1.33,1.93,;,2.7,;-2.67,2.7,;-2.67,4.24,;-1.33,5.01,;-1.33,6.54,;-2.67,7.31,;-2.67,8.85,;-4,9.62,;-5.33,8.85,;-5.33,7.31,;-4,6.54,;-4,5.01,;-5.33,4.24,;6.67,-2.69,;8,-1.92,;8,-.38,;9.34,.39,;10.67,-.38,)| Show InChI InChI=1S/C40H56ClN7O5/c1-46(2)19-7-6-10-33(45-31-16-12-27(23-42)13-17-31)39(50)48-21-20-47(40(51)53-35-18-15-29-8-4-5-9-32(29)37(35)41)26-34(48)38(49)44-25-28-11-14-30(24-43)36(22-28)52-3/h4-5,8-9,11,14-15,18,22,27,31,33-34,45H,6-7,10,12-13,16-17,19-21,23-26,42-43H2,1-3H3,(H,44,49)/t27?,31?,33-,34+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/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