BDBM50194142 CHEMBL3947843

SMILES: CC(C)[C@@H](C)NC(=O)[C@H]1CCN(CC1(C)C)c1ccc2cccc(C)c2n1

InChI Key: InChIKey=BHSFBOJPHKXDOI-IEBWSBKVSA-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 = 50194142   

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))	BDBM50194142 (CHEMBL3947843) Show SMILES CC(C)[C@@H](C)NC(=O)[C@H]1CCN(CC1(C)C)c1ccc2cccc(C)c2n1 |r| Show InChI InChI=1S/C23H33N3O/c1-15(2)17(4)24-22(27)19-12-13-26(14-23(19,5)6)20-11-10-18-9-7-8-16(3)21(18)25-20/h7-11,15,17,19H,12-14H2,1-6H3,(H,24,27)/t17-,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	77	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))	BDBM50194142 (CHEMBL3947843) Show SMILES CC(C)[C@@H](C)NC(=O)[C@H]1CCN(CC1(C)C)c1ccc2cccc(C)c2n1 |r| Show InChI InChI=1S/C23H33N3O/c1-15(2)17(4)24-22(27)19-12-13-26(14-23(19,5)6)20-11-10-18-9-7-8-16(3)21(18)25-20/h7-11,15,17,19H,12-14H2,1-6H3,(H,24,27)/t17-,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	12	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))	BDBM50194142 (CHEMBL3947843) Show SMILES CC(C)[C@@H](C)NC(=O)[C@H]1CCN(CC1(C)C)c1ccc2cccc(C)c2n1 |r| Show InChI InChI=1S/C23H33N3O/c1-15(2)17(4)24-22(27)19-12-13-26(14-23(19,5)6)20-11-10-18-9-7-8-16(3)21(18)25-20/h7-11,15,17,19H,12-14H2,1-6H3,(H,24,27)/t17-,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	89	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