BDBM304127 (S)- or (R)-2-(1-((4- carboxyphenyl)amino)-3- ((1r,4r)-4-hydroxycyclohexyl)- 1-oxopropan-2-yl)-5-(3-chloro- 6-(difluoromethyl)-2- fluorophenyl)pyridine 1-oxide::BDBM304131::US10143681, Example 36

SMILES: O[C@H]1CC[C@H](CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)CC1

InChI Key: InChIKey=AKWQVFJCPSUJBC-PRESFXJZSA-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 = 304127   

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))	BDBM304127 ((S)- or (R)-2-(1-((4- carboxyphenyl)amino)-3- ((1r...) Show SMILES O[C@H]1CC[C@H](CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)CC1 |r,wU:1.0,wD:4.4,$;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(4.67,5.78,;3.33,5,;3.33,3.47,;2,2.69,;.67,3.47,;-.67,2.69,;-.67,1.15,;.67,.38,;.67,-1.15,;2,1.15,;3.33,.38,;3.33,-1.15,;4.67,-1.93,;6,-1.15,;6,.38,;4.67,1.15,;7.34,-1.93,;8.67,-1.15,;7.34,-3.47,;-2,.38,;-3.33,1.15,;-4.67,.38,;-4.67,-1.15,;-3.33,-1.93,;-2,-1.15,;-.67,-1.93,;-6,-1.93,;-6,-3.47,;-4.67,-4.23,;-7.34,-4.23,;-7.34,-5.78,;-8.67,-3.47,;-8.67,-1.93,;-7.34,-1.15,;-7.34,.38,;-8.67,1.15,;-6,1.15,;.67,5,;2,5.78,)| Show InChI InChI=1S/C28H26ClF3N2O5/c29-22-11-10-20(26(31)32)24(25(22)30)17-5-12-23(34(39)14-17)21(13-15-1-8-19(35)9-2-15)27(36)33-18-6-3-16(4-7-18)28(37)38/h3-7,10-12,14-15,19,21,26,35H,1-2,8-9,13H2,(H,33,36)(H,37,38)/t15-,19-,21?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	26	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))	BDBM304127 ((S)- or (R)-2-(1-((4- carboxyphenyl)amino)-3- ((1r...) Show SMILES O[C@H]1CC[C@H](CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)CC1 |r,wU:1.0,wD:4.4,$;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(4.67,5.78,;3.33,5,;3.33,3.47,;2,2.69,;.67,3.47,;-.67,2.69,;-.67,1.15,;.67,.38,;.67,-1.15,;2,1.15,;3.33,.38,;3.33,-1.15,;4.67,-1.93,;6,-1.15,;6,.38,;4.67,1.15,;7.34,-1.93,;8.67,-1.15,;7.34,-3.47,;-2,.38,;-3.33,1.15,;-4.67,.38,;-4.67,-1.15,;-3.33,-1.93,;-2,-1.15,;-.67,-1.93,;-6,-1.93,;-6,-3.47,;-4.67,-4.23,;-7.34,-4.23,;-7.34,-5.78,;-8.67,-3.47,;-8.67,-1.93,;-7.34,-1.15,;-7.34,.38,;-8.67,1.15,;-6,1.15,;.67,5,;2,5.78,)| Show InChI InChI=1S/C28H26ClF3N2O5/c29-22-11-10-20(26(31)32)24(25(22)30)17-5-12-23(34(39)14-17)21(13-15-1-8-19(35)9-2-15)27(36)33-18-6-3-16(4-7-18)28(37)38/h3-7,10-12,14-15,19,21,26,35H,1-2,8-9,13H2,(H,33,36)(H,37,38)/t15-,19-,21?	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.70	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))	BDBM304127 ((S)- or (R)-2-(1-((4- carboxyphenyl)amino)-3- ((1r...) Show SMILES O[C@H]1CC[C@H](CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)CC1 |r,wU:1.0,wD:4.4,$;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(4.67,5.78,;3.33,5,;3.33,3.47,;2,2.69,;.67,3.47,;-.67,2.69,;-.67,1.15,;.67,.38,;.67,-1.15,;2,1.15,;3.33,.38,;3.33,-1.15,;4.67,-1.93,;6,-1.15,;6,.38,;4.67,1.15,;7.34,-1.93,;8.67,-1.15,;7.34,-3.47,;-2,.38,;-3.33,1.15,;-4.67,.38,;-4.67,-1.15,;-3.33,-1.93,;-2,-1.15,;-.67,-1.93,;-6,-1.93,;-6,-3.47,;-4.67,-4.23,;-7.34,-4.23,;-7.34,-5.78,;-8.67,-3.47,;-8.67,-1.93,;-7.34,-1.15,;-7.34,.38,;-8.67,1.15,;-6,1.15,;.67,5,;2,5.78,)| Show InChI InChI=1S/C28H26ClF3N2O5/c29-22-11-10-20(26(31)32)24(25(22)30)17-5-12-23(34(39)14-17)21(13-15-1-8-19(35)9-2-15)27(36)33-18-6-3-16(4-7-18)28(37)38/h3-7,10-12,14-15,19,21,26,35H,1-2,8-9,13H2,(H,33,36)(H,37,38)/t15-,19-,21?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.330	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