BDBM357066 (S)-5-(3-chloro-2,6-difluorophenyl)-2-(24-(((2-hydroxyethoxy)carbonyl)amino)-4-oxo-3-aza-1(1,3),2(1,2) -dinenzenacyclononaphane-9-yl)pyridine 1-oxide::US10214512, Example 46

SMILES: OCCOC(=O)Nc1ccc-2c(NC(=O)CCCC[C@@H](c3cccc-2c3)c2ccc(c[n+]2[O-])-c2c(F)ccc(Cl)c2F)c1

InChI Key: InChIKey=NPXRJXHXJUAMFX-DEOSSOPVSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 357066   

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))	BDBM357066 ((S)-5-(3-chloro-2,6-difluorophenyl)-2-(24-(((2-hyd...) Show SMILES OCCOC(=O)Nc1ccc-2c(NC(=O)CCCC[C@@H](c3cccc-2c3)c2ccc(c[n+]2[O-])-c2c(F)ccc(Cl)c2F)c1 |r| Show InChI InChI=1S/C32H28ClF2N3O5/c33-25-11-12-26(34)30(31(25)35)21-8-13-28(38(42)18-21)24-6-1-2-7-29(40)37-27-17-22(36-32(41)43-15-14-39)9-10-23(27)19-4-3-5-20(24)16-19/h3-5,8-13,16-18,24,39H,1-2,6-7,14-15H2,(H,36,41)(H,37,40)/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.240	n/a	n/a	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 US10214512 (2019) BindingDB Entry DOI: 10.7270/Q2668GGN
					More data for this Ligand-Target Pair
Kallikrein 1 (Homo sapiens (Human))	BDBM357066 ((S)-5-(3-chloro-2,6-difluorophenyl)-2-(24-(((2-hyd...) Show SMILES OCCOC(=O)Nc1ccc-2c(NC(=O)CCCC[C@@H](c3cccc-2c3)c2ccc(c[n+]2[O-])-c2c(F)ccc(Cl)c2F)c1 |r| Show InChI InChI=1S/C32H28ClF2N3O5/c33-25-11-12-26(34)30(31(25)35)21-8-13-28(38(42)18-21)24-6-1-2-7-29(40)37-27-17-22(36-32(41)43-15-14-39)9-10-23(27)19-4-3-5-20(24)16-19/h3-5,8-13,16-18,24,39H,1-2,6-7,14-15H2,(H,36,41)(H,37,40)/t24-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.53	n/a	n/a	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 US10214512 (2019) BindingDB Entry DOI: 10.7270/Q2668GGN
					More data for this Ligand-Target Pair