BDBM304136 2-(1-((4- carboxyphenyl)amino)-3- ((1r,4r)-4-hydroxy-4- methylcyclohexyl)-1- oxopropan-2-yl)-5-(3-chloro- 6-(difluoromethoxy)-2- fluorophenyl)pyridine 1-oxide::BDBM304138::US10143681, Example 42

SMILES: C[C@]1(O)CC[C@H](CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)CC1

InChI Key: InChIKey=PXYKTUTYSZAMSE-XZWQZOJESA-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 = 304136   

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))	BDBM304136 (2-(1-((4- carboxyphenyl)amino)-3- ((1r,4r)-4-hydro...) Show SMILES C[C@]1(O)CC[C@H](CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)CC1 |r,wU:1.1,wD:5.5,1.0,$;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(-4.77,6.06,;-4,4.72,;-5.54,4.72,;-2.67,5.49,;-1.33,4.72,;-1.33,3.18,;,2.41,;,.87,;1.33,.1,;1.33,-1.44,;2.67,.87,;4,.1,;4,-1.44,;5.33,-2.21,;6.67,-1.44,;6.67,.1,;5.33,.87,;8,-2.21,;8,-3.75,;9.34,-1.44,;-1.33,.1,;-2.67,.87,;-4,.1,;-4,-1.44,;-2.67,-2.21,;-1.33,-1.44,;,-2.21,;-5.33,-2.21,;-5.33,-3.75,;-4,-4.52,;-6.67,-4.52,;-6.67,-6.06,;-8,-3.75,;-8,-2.21,;-6.67,-1.44,;-6.67,.1,;-8,.87,;-8,2.41,;-9.34,.1,;-2.67,2.41,;-4,3.18,)| Show InChI InChI=1S/C29H28ClF3N2O6/c1-29(39)12-10-16(11-13-29)14-20(26(36)34-19-5-2-17(3-6-19)27(37)38)22-8-4-18(15-35(22)40)24-23(41-28(32)33)9-7-21(30)25(24)31/h2-9,15-16,20,28,39H,10-14H2,1H3,(H,34,36)(H,37,38)/t16-,20?,29-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	227	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))	BDBM304136 (2-(1-((4- carboxyphenyl)amino)-3- ((1r,4r)-4-hydro...) Show SMILES C[C@]1(O)CC[C@H](CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)CC1 |r,wU:1.1,wD:5.5,1.0,$;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(-4.77,6.06,;-4,4.72,;-5.54,4.72,;-2.67,5.49,;-1.33,4.72,;-1.33,3.18,;,2.41,;,.87,;1.33,.1,;1.33,-1.44,;2.67,.87,;4,.1,;4,-1.44,;5.33,-2.21,;6.67,-1.44,;6.67,.1,;5.33,.87,;8,-2.21,;8,-3.75,;9.34,-1.44,;-1.33,.1,;-2.67,.87,;-4,.1,;-4,-1.44,;-2.67,-2.21,;-1.33,-1.44,;,-2.21,;-5.33,-2.21,;-5.33,-3.75,;-4,-4.52,;-6.67,-4.52,;-6.67,-6.06,;-8,-3.75,;-8,-2.21,;-6.67,-1.44,;-6.67,.1,;-8,.87,;-8,2.41,;-9.34,.1,;-2.67,2.41,;-4,3.18,)| Show InChI InChI=1S/C29H28ClF3N2O6/c1-29(39)12-10-16(11-13-29)14-20(26(36)34-19-5-2-17(3-6-19)27(37)38)22-8-4-18(15-35(22)40)24-23(41-28(32)33)9-7-21(30)25(24)31/h2-9,15-16,20,28,39H,10-14H2,1H3,(H,34,36)(H,37,38)/t16-,20?,29-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	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))	BDBM304136 (2-(1-((4- carboxyphenyl)amino)-3- ((1r,4r)-4-hydro...) Show SMILES C[C@]1(O)CC[C@H](CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)CC1 |r,wU:1.1,wD:5.5,1.0,$;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(-4.77,6.06,;-4,4.72,;-5.54,4.72,;-2.67,5.49,;-1.33,4.72,;-1.33,3.18,;,2.41,;,.87,;1.33,.1,;1.33,-1.44,;2.67,.87,;4,.1,;4,-1.44,;5.33,-2.21,;6.67,-1.44,;6.67,.1,;5.33,.87,;8,-2.21,;8,-3.75,;9.34,-1.44,;-1.33,.1,;-2.67,.87,;-4,.1,;-4,-1.44,;-2.67,-2.21,;-1.33,-1.44,;,-2.21,;-5.33,-2.21,;-5.33,-3.75,;-4,-4.52,;-6.67,-4.52,;-6.67,-6.06,;-8,-3.75,;-8,-2.21,;-6.67,-1.44,;-6.67,.1,;-8,.87,;-8,2.41,;-9.34,.1,;-2.67,2.41,;-4,3.18,)| Show InChI InChI=1S/C29H28ClF3N2O6/c1-29(39)12-10-16(11-13-29)14-20(26(36)34-19-5-2-17(3-6-19)27(37)38)22-8-4-18(15-35(22)40)24-23(41-28(32)33)9-7-21(30)25(24)31/h2-9,15-16,20,28,39H,10-14H2,1H3,(H,34,36)(H,37,38)/t16-,20?,29-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.450	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