BDBM286046 (S)-2-(Difluoromethyl)-5-(((2-fluoro-2-methyl-propanoyl)amino)methyl)-N-(1-(tetrahydrofuran-3-yl)-2-(4-(trifluoromethyl)phenyl)-1H-indol-5-yl)nicotinamide::US10081629, Example 31

SMILES: CC(C)(F)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2n([C@H]3CCOC3)c(cc2c1)-c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=PLFPEWKFGGDGPL-QFIPXVFZSA-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 = 286046   

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
Prostaglandin E synthase (Homo sapiens (Human))	BDBM286046 ((S)-2-(Difluoromethyl)-5-(((2-fluoro-2-methyl-prop...) Show SMILES CC(C)(F)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2n([C@H]3CCOC3)c(cc2c1)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C31H28F6N4O3/c1-30(2,34)29(43)39-15-17-11-23(26(27(32)33)38-14-17)28(42)40-21-7-8-24-19(12-21)13-25(41(24)22-9-10-44-16-22)18-3-5-20(6-4-18)31(35,36)37/h3-8,11-14,22,27H,9-10,15-16H2,1-2H3,(H,39,43)(H,40,42)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.95	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd. US Patent					Assay Description mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...				US Patent US10081629 (2018) BindingDB Entry DOI: 10.7270/Q20K2BMF
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM286046 ((S)-2-(Difluoromethyl)-5-(((2-fluoro-2-methyl-prop...) Show SMILES CC(C)(F)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2n([C@H]3CCOC3)c(cc2c1)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C31H28F6N4O3/c1-30(2,34)29(43)39-15-17-11-23(26(27(32)33)38-14-17)28(42)40-21-7-8-24-19(12-21)13-25(41(24)22-9-10-44-16-22)18-3-5-20(6-4-18)31(35,36)37/h3-8,11-14,22,27H,9-10,15-16H2,1-2H3,(H,39,43)(H,40,42)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd. US Patent					Assay Description mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...				US Patent US10081629 (2018) BindingDB Entry DOI: 10.7270/Q20K2BMF
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM286046 ((S)-2-(Difluoromethyl)-5-(((2-fluoro-2-methyl-prop...) Show SMILES CC(C)(F)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2n([C@H]3CCOC3)c(cc2c1)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C31H28F6N4O3/c1-30(2,34)29(43)39-15-17-11-23(26(27(32)33)38-14-17)28(42)40-21-7-8-24-19(12-21)13-25(41(24)22-9-10-44-16-22)18-3-5-20(6-4-18)31(35,36)37/h3-8,11-14,22,27H,9-10,15-16H2,1-2H3,(H,39,43)(H,40,42)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd. US Patent					Assay Description mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...				US Patent US10081629 (2018) BindingDB Entry DOI: 10.7270/Q20K2BMF
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM286046 ((S)-2-(Difluoromethyl)-5-(((2-fluoro-2-methyl-prop...) Show SMILES CC(C)(F)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2n([C@H]3CCOC3)c(cc2c1)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C31H28F6N4O3/c1-30(2,34)29(43)39-15-17-11-23(26(27(32)33)38-14-17)28(42)40-21-7-8-24-19(12-21)13-25(41(24)22-9-10-44-16-22)18-3-5-20(6-4-18)31(35,36)37/h3-8,11-14,22,27H,9-10,15-16H2,1-2H3,(H,39,43)(H,40,42)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd. US Patent					Assay Description mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...				US Patent US10081629 (2018) BindingDB Entry DOI: 10.7270/Q20K2BMF
					More data for this Ligand-Target Pair