BDBM345084 4-({2-[5-(3-chloro-6- cyano-2-fluorophenyl)-1- oxidopyridin-2-yl]-3- cyclopropylpropanoyl} amino)benzoic acid::US9783530, 29::US9783530, 30

SMILES: OC(=O)c1ccc(NC(=O)C(CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C#N)cc1

InChI Key: InChIKey=MHOQUZPCDSCDEH-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 345084   

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))	BDBM345084 (4-({2-[5-(3-chloro-6- cyano-2-fluorophenyl)-1- oxi...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C#N)cc1 Show InChI InChI=1S/C25H19ClFN3O4/c26-20-9-5-16(12-28)22(23(20)27)17-6-10-21(30(34)13-17)19(11-14-1-2-14)24(31)29-18-7-3-15(4-8-18)25(32)33/h3-10,13-14,19H,1-2,11H2,(H,29,31)(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	458	n/a	n/a	n/a	n/a	n/a	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 US9783530 (2017) BindingDB Entry DOI: 10.7270/Q2N87CXK
					More data for this Ligand-Target Pair
Kallikrein-1 (Homo sapiens (Human))	BDBM345084 (4-({2-[5-(3-chloro-6- cyano-2-fluorophenyl)-1- oxi...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C#N)cc1 Show InChI InChI=1S/C25H19ClFN3O4/c26-20-9-5-16(12-28)22(23(20)27)17-6-10-21(30(34)13-17)19(11-14-1-2-14)24(31)29-18-7-3-15(4-8-18)25(32)33/h3-10,13-14,19H,1-2,11H2,(H,29,31)(H,32,33)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	80.4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Kallikrein 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; Fishe...				US Patent US9783530 (2017) BindingDB Entry DOI: 10.7270/Q2N87CXK
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM345084 (4-({2-[5-(3-chloro-6- cyano-2-fluorophenyl)-1- oxi...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C#N)cc1 Show InChI InChI=1S/C25H19ClFN3O4/c26-20-9-5-16(12-28)22(23(20)27)17-6-10-21(30(34)13-17)19(11-14-1-2-14)24(31)29-18-7-3-15(4-8-18)25(32)33/h3-10,13-14,19H,1-2,11H2,(H,29,31)(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.24	n/a	n/a	n/a	n/a	n/a	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 US9783530 (2017) BindingDB Entry DOI: 10.7270/Q2N87CXK
					More data for this Ligand-Target Pair