BDBM50194137 CHEMBL3922684

SMILES: CC1(C)CN(CC[C@@H]1C(=O)N[C@@H]1CC[C@H](CO)CC1)c1ccc2cccc(Cl)c2n1

InChI Key: InChIKey=FSHAZAGZDCHQMH-NZSAHSFTSA-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 = 50194137   

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))	BDBM50194137 (CHEMBL3922684) Show SMILES CC1(C)CN(CC[C@@H]1C(=O)N[C@@H]1CC[C@H](CO)CC1)c1ccc2cccc(Cl)c2n1 |r,wU:7.8,11.11,14.15,(.86,-13.35,;2.35,-12.95,;1.26,-11.86,;2.35,-14.49,;3.68,-15.25,;5,-14.49,;5,-12.95,;3.68,-12.17,;3.68,-10.63,;5.01,-9.87,;2.34,-9.87,;2.34,-8.33,;3.68,-7.55,;3.69,-6.02,;2.36,-5.24,;2.36,-3.7,;1.03,-2.93,;1.02,-6.01,;1.02,-7.55,;3.68,-16.79,;2.34,-17.56,;2.34,-19.1,;3.67,-19.87,;3.68,-21.41,;5.02,-22.18,;6.36,-21.39,;6.35,-19.85,;7.67,-19.07,;5.01,-19.09,;5,-17.55,)| Show InChI InChI=1S/C24H32ClN3O2/c1-24(2)15-28(21-11-8-17-4-3-5-20(25)22(17)27-21)13-12-19(24)23(30)26-18-9-6-16(14-29)7-10-18/h3-5,8,11,16,18-19,29H,6-7,9-10,12-15H2,1-2H3,(H,26,30)/t16-,18+,19-/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	23	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))	BDBM50194137 (CHEMBL3922684) Show SMILES CC1(C)CN(CC[C@@H]1C(=O)N[C@@H]1CC[C@H](CO)CC1)c1ccc2cccc(Cl)c2n1 |r,wU:7.8,11.11,14.15,(.86,-13.35,;2.35,-12.95,;1.26,-11.86,;2.35,-14.49,;3.68,-15.25,;5,-14.49,;5,-12.95,;3.68,-12.17,;3.68,-10.63,;5.01,-9.87,;2.34,-9.87,;2.34,-8.33,;3.68,-7.55,;3.69,-6.02,;2.36,-5.24,;2.36,-3.7,;1.03,-2.93,;1.02,-6.01,;1.02,-7.55,;3.68,-16.79,;2.34,-17.56,;2.34,-19.1,;3.67,-19.87,;3.68,-21.41,;5.02,-22.18,;6.36,-21.39,;6.35,-19.85,;7.67,-19.07,;5.01,-19.09,;5,-17.55,)| Show InChI InChI=1S/C24H32ClN3O2/c1-24(2)15-28(21-11-8-17-4-3-5-20(25)22(17)27-21)13-12-19(24)23(30)26-18-9-6-16(14-29)7-10-18/h3-5,8,11,16,18-19,29H,6-7,9-10,12-15H2,1-2H3,(H,26,30)/t16-,18+,19-/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	4	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))	BDBM50194137 (CHEMBL3922684) Show SMILES CC1(C)CN(CC[C@@H]1C(=O)N[C@@H]1CC[C@H](CO)CC1)c1ccc2cccc(Cl)c2n1 |r,wU:7.8,11.11,14.15,(.86,-13.35,;2.35,-12.95,;1.26,-11.86,;2.35,-14.49,;3.68,-15.25,;5,-14.49,;5,-12.95,;3.68,-12.17,;3.68,-10.63,;5.01,-9.87,;2.34,-9.87,;2.34,-8.33,;3.68,-7.55,;3.69,-6.02,;2.36,-5.24,;2.36,-3.7,;1.03,-2.93,;1.02,-6.01,;1.02,-7.55,;3.68,-16.79,;2.34,-17.56,;2.34,-19.1,;3.67,-19.87,;3.68,-21.41,;5.02,-22.18,;6.36,-21.39,;6.35,-19.85,;7.67,-19.07,;5.01,-19.09,;5,-17.55,)| Show InChI InChI=1S/C24H32ClN3O2/c1-24(2)15-28(21-11-8-17-4-3-5-20(25)22(17)27-21)13-12-19(24)23(30)26-18-9-6-16(14-29)7-10-18/h3-5,8,11,16,18-19,29H,6-7,9-10,12-15H2,1-2H3,(H,26,30)/t16-,18+,19-/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	30	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