null

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

InChI Key: InChIKey=YXQQDNTZJAXMNL-NRFANRHFSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 413840   

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))	BDBM413840 ((2S)-2-[4-{5-Chloro-2-[4-(trifluoromethyl)-1H-1,2,...) Show SMILES CC[C@@H](C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cc(nn1)C(F)(F)F |r| Show InChI InChI=1S/C27H23ClF3N7O3/c1-4-21(26(40)32-17-6-7-20-15(9-17)12-36(2)34-20)37-13-23(41-3)19(11-25(37)39)18-10-16(28)5-8-22(18)38-14-24(33-35-38)27(29,30)31/h5-14,21H,4H2,1-3H3,(H,32,40)/t21-/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	0.790	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))	BDBM413840 ((2S)-2-[4-{5-Chloro-2-[4-(trifluoromethyl)-1H-1,2,...) Show SMILES CC[C@@H](C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cc(nn1)C(F)(F)F |r| Show InChI InChI=1S/C27H23ClF3N7O3/c1-4-21(26(40)32-17-6-7-20-15(9-17)12-36(2)34-20)37-13-23(41-3)19(11-25(37)39)18-10-16(28)5-8-22(18)38-14-24(33-35-38)27(29,30)31/h5-14,21H,4H2,1-3H3,(H,32,40)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM413840 ((2S)-2-[4-{5-Chloro-2-[4-(trifluoromethyl)-1H-1,2,...) Show SMILES CC[C@@H](C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cc(nn1)C(F)(F)F |r| Show InChI InChI=1S/C27H23ClF3N7O3/c1-4-21(26(40)32-17-6-7-20-15(9-17)12-36(2)34-20)37-13-23(41-3)19(11-25(37)39)18-10-16(28)5-8-22(18)38-14-24(33-35-38)27(29,30)31/h5-14,21H,4H2,1-3H3,(H,32,40)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.790	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM413840 ((2S)-2-[4-{5-Chloro-2-[4-(trifluoromethyl)-1H-1,2,...) Show SMILES CC[C@@H](C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cc(nn1)C(F)(F)F |r| Show InChI InChI=1S/C27H23ClF3N7O3/c1-4-21(26(40)32-17-6-7-20-15(9-17)12-36(2)34-20)37-13-23(41-3)19(11-25(37)39)18-10-16(28)5-8-22(18)38-14-24(33-35-38)27(29,30)31/h5-14,21H,4H2,1-3H3,(H,32,40)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.5	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