null

SMILES: COC(=O)Nc1ccc(c(Cl)c1)-n1cc(cn1)C1(O)CCc2cc(c[n+]([O-])c12)-c1cc(Cl)ccc1N

InChI Key: InChIKey=GLWIJQVXAYCVAX-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 285917   

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))	BDBM285917 (3-(5-chloro-2-(1H-tetrazol-1-yl)phenyl)-7-(1-(2-ch...) Show SMILES COC(=O)Nc1ccc(c(Cl)c1)-n1cc(cn1)C1(O)CCc2cc(c[n+]([O-])c12)-c1cc(Cl)ccc1N Show InChI InChI=1S/C25H21Cl2N5O4/c1-36-24(33)30-18-3-5-22(20(27)10-18)31-13-16(11-29-31)25(34)7-6-14-8-15(12-32(35)23(14)25)19-9-17(26)2-4-21(19)28/h2-5,8-13,34H,6-7,28H2,1H3,(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21.5	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba...				US Patent US10081617 (2018) BindingDB Entry DOI: 10.7270/Q2CR5WDN
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM285917 (3-(5-chloro-2-(1H-tetrazol-1-yl)phenyl)-7-(1-(2-ch...) Show SMILES COC(=O)Nc1ccc(c(Cl)c1)-n1cc(cn1)C1(O)CCc2cc(c[n+]([O-])c12)-c1cc(Cl)ccc1N Show InChI InChI=1S/C25H21Cl2N5O4/c1-36-24(33)30-18-3-5-22(20(27)10-18)31-13-16(11-29-31)25(34)7-6-14-8-15(12-32(35)23(14)25)19-9-17(26)2-4-21(19)28/h2-5,8-13,34H,6-7,28H2,1H3,(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	648	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba...				US Patent US10081617 (2018) BindingDB Entry DOI: 10.7270/Q2CR5WDN
					More data for this Ligand-Target Pair