null

SMILES: OC(=O)c1ccc(NC(=O)C(CC2CC(F)C2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1

InChI Key: InChIKey=FZRJFARUZQXZOZ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 304189   

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 XI (Homo sapiens (Human))	BDBM304189 (2-(1-((4- carboxyphenyl)amino)-3-(3- fluorocyclobu...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC(F)C2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1 |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(7.34,-3.24,;7.34,-1.7,;8.67,-.93,;6,-.93,;4.67,-1.7,;3.33,-.93,;3.33,.61,;2,1.38,;.67,.61,;.67,-.93,;-.67,1.38,;-.67,2.92,;-2,3.69,;-2.4,5.18,;-3.89,4.78,;-5.22,5.55,;-3.49,3.29,;-2,.61,;-3.33,1.38,;-4.67,.61,;-4.67,-.93,;-3.33,-1.7,;-2,-.93,;-.67,-1.7,;-6,-1.7,;-6,-3.24,;-4.67,-4.01,;-7.34,-4.01,;-7.34,-5.55,;-8.67,-3.24,;-8.67,-1.7,;-7.34,-.93,;-7.34,.61,;-8.67,1.38,;-6,1.38,;4.67,1.38,;6,.61,)| Show InChI InChI=1S/C26H21ClF4N2O4/c27-20-7-6-18(24(30)31)22(23(20)29)15-3-8-21(33(37)12-15)19(11-13-9-16(28)10-13)25(34)32-17-4-1-14(2-5-17)26(35)36/h1-8,12-13,16,19,24H,9-11H2,(H,32,34)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	484	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 XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM304189 (2-(1-((4- carboxyphenyl)amino)-3-(3- fluorocyclobu...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC(F)C2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1 |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(7.34,-3.24,;7.34,-1.7,;8.67,-.93,;6,-.93,;4.67,-1.7,;3.33,-.93,;3.33,.61,;2,1.38,;.67,.61,;.67,-.93,;-.67,1.38,;-.67,2.92,;-2,3.69,;-2.4,5.18,;-3.89,4.78,;-5.22,5.55,;-3.49,3.29,;-2,.61,;-3.33,1.38,;-4.67,.61,;-4.67,-.93,;-3.33,-1.7,;-2,-.93,;-.67,-1.7,;-6,-1.7,;-6,-3.24,;-4.67,-4.01,;-7.34,-4.01,;-7.34,-5.55,;-8.67,-3.24,;-8.67,-1.7,;-7.34,-.93,;-7.34,.61,;-8.67,1.38,;-6,1.38,;4.67,1.38,;6,.61,)| Show InChI InChI=1S/C26H21ClF4N2O4/c27-20-7-6-18(24(30)31)22(23(20)29)15-3-8-21(33(37)12-15)19(11-13-9-16(28)10-13)25(34)32-17-4-1-14(2-5-17)26(35)36/h1-8,12-13,16,19,24H,9-11H2,(H,32,34)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.40	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 Kallikrein can be determined using a relevant purified serine protease, a...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304189 (2-(1-((4- carboxyphenyl)amino)-3-(3- fluorocyclobu...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC(F)C2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1 |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(7.34,-3.24,;7.34,-1.7,;8.67,-.93,;6,-.93,;4.67,-1.7,;3.33,-.93,;3.33,.61,;2,1.38,;.67,.61,;.67,-.93,;-.67,1.38,;-.67,2.92,;-2,3.69,;-2.4,5.18,;-3.89,4.78,;-5.22,5.55,;-3.49,3.29,;-2,.61,;-3.33,1.38,;-4.67,.61,;-4.67,-.93,;-3.33,-1.7,;-2,-.93,;-.67,-1.7,;-6,-1.7,;-6,-3.24,;-4.67,-4.01,;-7.34,-4.01,;-7.34,-5.55,;-8.67,-3.24,;-8.67,-1.7,;-7.34,-.93,;-7.34,.61,;-8.67,1.38,;-6,1.38,;4.67,1.38,;6,.61,)| Show InChI InChI=1S/C26H21ClF4N2O4/c27-20-7-6-18(24(30)31)22(23(20)29)15-3-8-21(33(37)12-15)19(11-13-9-16(28)10-13)25(34)32-17-4-1-14(2-5-17)26(35)36/h1-8,12-13,16,19,24H,9-11H2,(H,32,34)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	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 XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair