BDBM50194141 CHEMBL3938686

SMILES: Cc1cccc2ccc(nc12)N1CC[C@H](C(=O)N[C@@H]2CC[C@H](CO)CC2)C(C)(C)C1

InChI Key: InChIKey=FCBNHGCVOSSSHC-HLAWJBBLSA-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 = 50194141   

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))	BDBM50194141 (CHEMBL3938686) Show SMILES Cc1cccc2ccc(nc12)N1CC[C@H](C(=O)N[C@@H]2CC[C@H](CO)CC2)C(C)(C)C1 |r,wU:14.16,18.19,21.23,(40.97,-19.87,;39.64,-20.64,;39.65,-22.18,;38.31,-22.96,;36.97,-22.19,;36.97,-20.65,;35.63,-19.88,;35.63,-18.35,;36.97,-17.58,;38.3,-18.34,;38.3,-19.88,;36.97,-16.05,;38.3,-15.28,;38.3,-13.74,;36.97,-12.97,;36.97,-11.43,;38.3,-10.66,;35.63,-10.66,;35.63,-9.12,;36.97,-8.34,;36.98,-6.81,;35.65,-6.03,;35.65,-4.49,;36.99,-3.72,;34.31,-6.8,;34.3,-8.34,;35.64,-13.74,;34.14,-14.14,;34.55,-12.65,;35.64,-15.28,)| Show InChI InChI=1S/C25H35N3O2/c1-17-5-4-6-19-9-12-22(27-23(17)19)28-14-13-21(25(2,3)16-28)24(30)26-20-10-7-18(15-29)8-11-20/h4-6,9,12,18,20-21,29H,7-8,10-11,13-16H2,1-3H3,(H,26,30)/t18-,20+,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human mPGES-1 expressed in 293E cells assessed as reduction in conversion of PGH2 to PGE2 after 1.5 min by LC/MS analysis				Bioorg Med Chem Lett 26: 4824-4828 (2016) Article DOI: 10.1016/j.bmcl.2016.08.023 BindingDB Entry DOI: 10.7270/Q2125VMX
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50194141 (CHEMBL3938686) Show SMILES Cc1cccc2ccc(nc12)N1CC[C@H](C(=O)N[C@@H]2CC[C@H](CO)CC2)C(C)(C)C1 |r,wU:14.16,18.19,21.23,(40.97,-19.87,;39.64,-20.64,;39.65,-22.18,;38.31,-22.96,;36.97,-22.19,;36.97,-20.65,;35.63,-19.88,;35.63,-18.35,;36.97,-17.58,;38.3,-18.34,;38.3,-19.88,;36.97,-16.05,;38.3,-15.28,;38.3,-13.74,;36.97,-12.97,;36.97,-11.43,;38.3,-10.66,;35.63,-10.66,;35.63,-9.12,;36.97,-8.34,;36.98,-6.81,;35.65,-6.03,;35.65,-4.49,;36.99,-3.72,;34.31,-6.8,;34.3,-8.34,;35.64,-13.74,;34.14,-14.14,;34.55,-12.65,;35.64,-15.28,)| Show InChI InChI=1S/C25H35N3O2/c1-17-5-4-6-19-9-12-22(27-23(17)19)28-14-13-21(25(2,3)16-28)24(30)26-20-10-7-18(15-29)8-11-20/h4-6,9,12,18,20-21,29H,7-8,10-11,13-16H2,1-3H3,(H,26,30)/t18-,20+,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human whole blood assessed as reduction in LPS-induced PGE2 production preincubated for 30 mins followed by LPS stimulation ...				Bioorg Med Chem Lett 26: 4824-4828 (2016) Article DOI: 10.1016/j.bmcl.2016.08.023 BindingDB Entry DOI: 10.7270/Q2125VMX
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50194141 (CHEMBL3938686) Show SMILES Cc1cccc2ccc(nc12)N1CC[C@H](C(=O)N[C@@H]2CC[C@H](CO)CC2)C(C)(C)C1 |r,wU:14.16,18.19,21.23,(40.97,-19.87,;39.64,-20.64,;39.65,-22.18,;38.31,-22.96,;36.97,-22.19,;36.97,-20.65,;35.63,-19.88,;35.63,-18.35,;36.97,-17.58,;38.3,-18.34,;38.3,-19.88,;36.97,-16.05,;38.3,-15.28,;38.3,-13.74,;36.97,-12.97,;36.97,-11.43,;38.3,-10.66,;35.63,-10.66,;35.63,-9.12,;36.97,-8.34,;36.98,-6.81,;35.65,-6.03,;35.65,-4.49,;36.99,-3.72,;34.31,-6.8,;34.3,-8.34,;35.64,-13.74,;34.14,-14.14,;34.55,-12.65,;35.64,-15.28,)| Show InChI InChI=1S/C25H35N3O2/c1-17-5-4-6-19-9-12-22(27-23(17)19)28-14-13-21(25(2,3)16-28)24(30)26-20-10-7-18(15-29)8-11-20/h4-6,9,12,18,20-21,29H,7-8,10-11,13-16H2,1-3H3,(H,26,30)/t18-,20+,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human A549 cells assessed as reduction in recombinant human interleukin-1 beta-induced PGE2 production preincubated for 30 m...				Bioorg Med Chem Lett 26: 4824-4828 (2016) Article DOI: 10.1016/j.bmcl.2016.08.023 BindingDB Entry DOI: 10.7270/Q2125VMX
					More data for this Ligand-Target Pair