null

SMILES: COc1cn(C(C)C(=O)Nc2ccc(C(N)=O)c(F)c2)c(=O)cc1-c1cc(Cl)ccc1-n1cc(nn1)C(F)(F)F

InChI Key: InChIKey=SNUMNATTXKTJQD-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 413846   

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))	BDBM413846 (4-({2-[4-{5-Chloro-2-[4-(trifluoromethyl)-1H-1,2,3...) Show SMILES COc1cn(C(C)C(=O)Nc2ccc(C(N)=O)c(F)c2)c(=O)cc1-c1cc(Cl)ccc1-n1cc(nn1)C(F)(F)F Show InChI InChI=1S/C25H19ClF4N6O4/c1-12(24(39)32-14-4-5-15(23(31)38)18(27)8-14)35-10-20(40-2)17(9-22(35)37)16-7-13(26)3-6-19(16)36-11-21(33-34-36)25(28,29)30/h3-12H,1-2H3,(H2,31,38)(H,32,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.890	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The factor XIa inhibition of the substances according to the invention is determined using a biochemical test system which utilizes the reaction of a...				US Patent US10421742 (2019) BindingDB Entry DOI: 10.7270/Q26M3967
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM413846 (4-({2-[4-{5-Chloro-2-[4-(trifluoromethyl)-1H-1,2,3...) Show SMILES COc1cn(C(C)C(=O)Nc2ccc(C(N)=O)c(F)c2)c(=O)cc1-c1cc(Cl)ccc1-n1cc(nn1)C(F)(F)F Show InChI InChI=1S/C25H19ClF4N6O4/c1-12(24(39)32-14-4-5-15(23(31)38)18(27)8-14)35-10-20(40-2)17(9-22(35)37)16-7-13(26)3-6-19(16)36-11-21(33-34-36)25(28,29)30/h3-12H,1-2H3,(H2,31,38)(H,32,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2W09935
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM413846 (4-({2-[4-{5-Chloro-2-[4-(trifluoromethyl)-1H-1,2,3...) Show SMILES COc1cn(C(C)C(=O)Nc2ccc(C(N)=O)c(F)c2)c(=O)cc1-c1cc(Cl)ccc1-n1cc(nn1)C(F)(F)F Show InChI InChI=1S/C25H19ClF4N6O4/c1-12(24(39)32-14-4-5-15(23(31)38)18(27)8-14)35-10-20(40-2)17(9-22(35)37)16-7-13(26)3-6-19(16)36-11-21(33-34-36)25(28,29)30/h3-12H,1-2H3,(H2,31,38)(H,32,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.890	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2W09935
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM413846 (4-({2-[4-{5-Chloro-2-[4-(trifluoromethyl)-1H-1,2,3...) Show SMILES COc1cn(C(C)C(=O)Nc2ccc(C(N)=O)c(F)c2)c(=O)cc1-c1cc(Cl)ccc1-n1cc(nn1)C(F)(F)F Show InChI InChI=1S/C25H19ClF4N6O4/c1-12(24(39)32-14-4-5-15(23(31)38)18(27)8-14)35-10-20(40-2)17(9-22(35)37)16-7-13(26)3-6-19(16)36-11-21(33-34-36)25(28,29)30/h3-12H,1-2H3,(H2,31,38)(H,32,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description To determine the plasma kallikrein inhibition of the substances according to the invention, a biochemical test system is used which utilizes the reac...				US Patent US10421742 (2019) BindingDB Entry DOI: 10.7270/Q26M3967
					More data for this Ligand-Target Pair