BDBM357025 2-(25-carboxy-4-oxo-3-aza-1(1,3),2(1,2)-dibenzenacyclononaphane-9-yl)-5-(3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)phenyl)pyridine 1-oxide::US10214512, Example 5-a

SMILES: OC(=O)c1ccc2NC(=O)CCCC[C@@H](c3cccc(c3)-c2c1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1

InChI Key: InChIKey=XWUNHSSUNZGXRP-QFIPXVFZSA-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 = 357025   

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))	BDBM357025 (2-(25-carboxy-4-oxo-3-aza-1(1,3),2(1,2)-dibenzenac...) Show SMILES OC(=O)c1ccc2NC(=O)CCCC[C@@H](c3cccc(c3)-c2c1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C31H24ClFN6O4/c32-24-10-13-27(38-17-34-36-37-38)29(30(24)33)21-9-12-26(39(43)16-21)22-6-1-2-7-28(40)35-25-11-8-20(31(41)42)15-23(25)19-5-3-4-18(22)14-19/h3-5,8-17,22H,1-2,6-7H2,(H,35,40)(H,41,42)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.130	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))	BDBM357025 (2-(25-carboxy-4-oxo-3-aza-1(1,3),2(1,2)-dibenzenac...) Show SMILES OC(=O)c1ccc2NC(=O)CCCC[C@@H](c3cccc(c3)-c2c1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C31H24ClFN6O4/c32-24-10-13-27(38-17-34-36-37-38)29(30(24)33)21-9-12-26(39(43)16-21)22-6-1-2-7-28(40)35-25-11-8-20(31(41)42)15-23(25)19-5-3-4-18(22)14-19/h3-5,8-17,22H,1-2,6-7H2,(H,35,40)(H,41,42)/t22-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.15	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