BDBM304226 2-(1-((4-carboxy-3- fluorophenyl)amino)-3- cyclopropyl-1-oxopropan-2- yl)-5-(3-chloro-6- (difluoromethyl)-2- fluorophenyl)pyridine 1- oxide::BDBM304227::US10143681, Example 117

SMILES: OC(=O)c1ccc(NC(=O)C(CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1F

InChI Key: InChIKey=JJPLFMNEWVLCNA-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 = 304226   

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))	BDBM304226 (2-(1-((4-carboxy-3- fluorophenyl)amino)-3- cyclopr...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1F |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C25H19ClF4N2O4/c26-18-7-6-16(23(29)30)21(22(18)28)13-3-8-20(32(36)11-13)17(9-12-1-2-12)24(33)31-14-4-5-15(25(34)35)19(27)10-14/h3-8,10-12,17,23H,1-2,9H2,(H,31,33)(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	58.4	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 US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM304226 (2-(1-((4-carboxy-3- fluorophenyl)amino)-3- cyclopr...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1F |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C25H19ClF4N2O4/c26-18-7-6-16(23(29)30)21(22(18)28)13-3-8-20(32(36)11-13)17(9-12-1-2-12)24(33)31-14-4-5-15(25(34)35)19(27)10-14/h3-8,10-12,17,23H,1-2,9H2,(H,31,33)(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.6	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 US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304226 (2-(1-((4-carboxy-3- fluorophenyl)amino)-3- cyclopr...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1F |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C25H19ClF4N2O4/c26-18-7-6-16(23(29)30)21(22(18)28)13-3-8-20(32(36)11-13)17(9-12-1-2-12)24(33)31-14-4-5-15(25(34)35)19(27)10-14/h3-8,10-12,17,23H,1-2,9H2,(H,31,33)(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	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 US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair