null

SMILES: OC(=O)c1ccc(NC(=O)C(CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)(F)F)cc1

InChI Key: InChIKey=JTLBWMORCYFFNN-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 304117   

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))	BDBM304117 ((S)- or (R)-2-(1-((4- carboxyphenyl)amino)-3-cyclo...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)(F)F)cc1 |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C25H19ClF4N2O4/c26-19-9-8-18(25(28,29)30)21(22(19)27)15-5-10-20(32(36)12-15)17(11-13-1-2-13)23(33)31-16-6-3-14(4-7-16)24(34)35/h3-10,12-13,17H,1-2,11H2,(H,31,33)(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	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))	BDBM304117 ((S)- or (R)-2-(1-((4- carboxyphenyl)amino)-3-cyclo...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)(F)F)cc1 |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C25H19ClF4N2O4/c26-19-9-8-18(25(28,29)30)21(22(19)27)15-5-10-20(32(36)12-15)17(11-13-1-2-13)23(33)31-16-6-3-14(4-7-16)24(34)35/h3-10,12-13,17H,1-2,11H2,(H,31,33)(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	162	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))	BDBM304117 ((S)- or (R)-2-(1-((4- carboxyphenyl)amino)-3-cyclo...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)(F)F)cc1 |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C25H19ClF4N2O4/c26-19-9-8-18(25(28,29)30)21(22(19)27)15-5-10-20(32(36)12-15)17(11-13-1-2-13)23(33)31-16-6-3-14(4-7-16)24(34)35/h3-10,12-13,17H,1-2,11H2,(H,31,33)(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	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