BDBM304198 2-(1-((4- carboxyphenyl)amino)-3-(2- (difluoromethyl)cyclopropyl)- 1-oxopropan-2-yl)-5-(3- chloro-6-(difluoromethyl)- 2-fluorophenyl)pyridine-1- oxide::BDBM304199::US10143681, Example 89

SMILES: OC(=O)c1ccc(NC(=O)C(CC2CC2C(F)F)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1

InChI Key: InChIKey=CIBAUUPUKBYRIO-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 304198   

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))	BDBM304198 (2-(1-((4- carboxyphenyl)amino)-3-(2- (difluorometh...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2C(F)F)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1 |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H20ClF5N2O4/c27-19-7-6-16(23(29)30)21(22(19)28)13-3-8-20(34(38)11-13)18(10-14-9-17(14)24(31)32)25(35)33-15-4-1-12(2-5-15)26(36)37/h1-8,11,14,17-18,23-24H,9-10H2,(H,33,35)(H,36,37)	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
Plasma kallikrein (Homo sapiens (Human))	BDBM304198 (2-(1-((4- carboxyphenyl)amino)-3-(2- (difluorometh...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2C(F)F)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1 |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H20ClF5N2O4/c27-19-7-6-16(23(29)30)21(22(19)28)13-3-8-20(34(38)11-13)18(10-14-9-17(14)24(31)32)25(35)33-15-4-1-12(2-5-15)26(36)37/h1-8,11,14,17-18,23-24H,9-10H2,(H,33,35)(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	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))	BDBM304198 (2-(1-((4- carboxyphenyl)amino)-3-(2- (difluorometh...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2C(F)F)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1 |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H20ClF5N2O4/c27-19-7-6-16(23(29)30)21(22(19)28)13-3-8-20(34(38)11-13)18(10-14-9-17(14)24(31)32)25(35)33-15-4-1-12(2-5-15)26(36)37/h1-8,11,14,17-18,23-24H,9-10H2,(H,33,35)(H,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	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))	BDBM304198 (2-(1-((4- carboxyphenyl)amino)-3-(2- (difluorometh...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2C(F)F)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1 |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H20ClF5N2O4/c27-19-7-6-16(23(29)30)21(22(19)28)13-3-8-20(34(38)11-13)18(10-14-9-17(14)24(31)32)25(35)33-15-4-1-12(2-5-15)26(36)37/h1-8,11,14,17-18,23-24H,9-10H2,(H,33,35)(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.10	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