null

SMILES: CN(C)C1CCN(CC1)c1cccc2[C@H](N(CCc12)C(=O)c1cn(nn1)-c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O

InChI Key: InChIKey=IRADZYNYESBTAE-PMERELPUSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 335794   

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
Plasma kallikrein (Homo sapiens (Human))	BDBM335794 ((S)-4-(2-(1-(3-chloro-2- fluorophenyl)-1H-1,2,3- t...) Show SMILES CN(C)C1CCN(CC1)c1cccc2[C@H](N(CCc12)C(=O)c1cn(nn1)-c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C33H33ClFN7O4/c1-39(2)22-13-16-40(17-14-22)27-7-3-5-24-23(27)15-18-41(30(24)31(43)36-21-11-9-20(10-12-21)33(45)46)32(44)26-19-42(38-37-26)28-8-4-6-25(34)29(28)35/h3-12,19,22,30H,13-18H2,1-2H3,(H,36,43)(H,45,46)/t30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. De...				US Patent US9738655 (2017) BindingDB Entry DOI: 10.7270/Q2BG2R3R
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM335794 ((S)-4-(2-(1-(3-chloro-2- fluorophenyl)-1H-1,2,3- t...) Show SMILES CN(C)C1CCN(CC1)c1cccc2[C@H](N(CCc12)C(=O)c1cn(nn1)-c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C33H33ClFN7O4/c1-39(2)22-13-16-40(17-14-22)27-7-3-5-24-23(27)15-18-41(30(24)31(43)36-21-11-9-20(10-12-21)33(45)46)32(44)26-19-42(38-37-26)28-8-4-6-25(34)29(28)35/h3-12,19,22,30H,13-18H2,1-2H3,(H,36,43)(H,45,46)/t30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9738655 (2017) BindingDB Entry DOI: 10.7270/Q2BG2R3R
					More data for this Ligand-Target Pair