null

SMILES: CC[C@@H](C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cc(nn1)C(F)F

InChI Key: InChIKey=UAHXABWWDRJQRK-QFIPXVFZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 413772   

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))	BDBM413772 ((2S)-2-[4-{5-Chloro-2-[4-(difluoromethyl)-1H-1,2,3...) Show SMILES CC[C@@H](C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cc(nn1)C(F)F |r| Show InChI InChI=1S/C27H24ClF2N7O3/c1-4-22(27(39)31-17-6-7-20-15(9-17)12-35(2)33-20)36-14-24(40-3)19(11-25(36)38)18-10-16(28)5-8-23(18)37-13-21(26(29)30)32-34-37/h5-14,22,26H,4H2,1-3H3,(H,31,39)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.20	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
Coagulation factor XI (Homo sapiens (Human))	BDBM413772 ((2S)-2-[4-{5-Chloro-2-[4-(difluoromethyl)-1H-1,2,3...) Show SMILES CC[C@@H](C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cc(nn1)C(F)F |r| Show InChI InChI=1S/C27H24ClF2N7O3/c1-4-22(27(39)31-17-6-7-20-15(9-17)12-35(2)33-20)36-14-24(40-3)19(11-25(36)38)18-10-16(28)5-8-23(18)37-13-21(26(29)30)32-34-37/h5-14,22,26H,4H2,1-3H3,(H,31,39)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.860	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