null

SMILES: CC(C)c1nnc2CN(CCn12)c1cccc2[C@H](N(CCc12)C(=O)[C@H]1CC(=NO1)c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O

InChI Key: InChIKey=PULGOHDYZKUKTQ-MVSFAKPFSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 336111   

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))	BDBM336111 (4-((S)-2-((R)-3-(3-Chloro-2-fluorophenyl)-4,5-dihy...) Show SMILES CC(C)c1nnc2CN(CCn12)c1cccc2[C@H](N(CCc12)C(=O)[C@H]1CC(=NO1)c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O |r,c:30| Show InChI InChI=1S/C35H33ClFN7O5/c1-19(2)32-40-39-29-18-42(15-16-43(29)32)27-8-4-5-23-22(27)13-14-44(31(23)33(45)38-21-11-9-20(10-12-21)35(47)48)34(46)28-17-26(41-49-28)24-6-3-7-25(36)30(24)37/h3-12,19,28,31H,13-18H2,1-2H3,(H,38,45)(H,47,48)/t28-,31+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.40	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))	BDBM336111 (4-((S)-2-((R)-3-(3-Chloro-2-fluorophenyl)-4,5-dihy...) Show SMILES CC(C)c1nnc2CN(CCn12)c1cccc2[C@H](N(CCc12)C(=O)[C@H]1CC(=NO1)c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O |r,c:30| Show InChI InChI=1S/C35H33ClFN7O5/c1-19(2)32-40-39-29-18-42(15-16-43(29)32)27-8-4-5-23-22(27)13-14-44(31(23)33(45)38-21-11-9-20(10-12-21)35(47)48)34(46)28-17-26(41-49-28)24-6-3-7-25(36)30(24)37/h3-12,19,28,31H,13-18H2,1-2H3,(H,38,45)(H,47,48)/t28-,31+/m1/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