BDBM50426963 CHEMBL2325084

SMILES: Cc1cc2oc(nc2cc1Cl)N1CCC(CC1)C(=O)N[C@H]1CCC[C@H](CO)C1

InChI Key: InChIKey=BVUIHNKCEFPMBL-HOCLYGCPSA-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 = 50426963   

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))	BDBM50426963 (CHEMBL2325084) Show SMILES Cc1cc2oc(nc2cc1Cl)N1CCC(CC1)C(=O)N[C@H]1CCC[C@H](CO)C1 |r| Show InChI InChI=1S/C21H28ClN3O3/c1-13-9-19-18(11-17(13)22)24-21(28-19)25-7-5-15(6-8-25)20(27)23-16-4-2-3-14(10-16)12-26/h9,11,14-16,26H,2-8,10,12H2,1H3,(H,23,27)/t14-,16-/m0/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	338	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES-1-mediated PGE2 production in LPS-stimulated healthy human whole blood after 20 to 24 hrs by ELISA				Bioorg Med Chem Lett 23: 1114-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426963 (CHEMBL2325084) Show SMILES Cc1cc2oc(nc2cc1Cl)N1CCC(CC1)C(=O)N[C@H]1CCC[C@H](CO)C1 |r| Show InChI InChI=1S/C21H28ClN3O3/c1-13-9-19-18(11-17(13)22)24-21(28-19)25-7-5-15(6-8-25)20(27)23-16-4-2-3-14(10-16)12-26/h9,11,14-16,26H,2-8,10,12H2,1H3,(H,23,27)/t14-,16-/m0/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	25	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human mPGES1 by ELISA				Bioorg Med Chem Lett 23: 1120-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.107 BindingDB Entry DOI: 10.7270/Q26W9CDS
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426963 (CHEMBL2325084) Show SMILES Cc1cc2oc(nc2cc1Cl)N1CCC(CC1)C(=O)N[C@H]1CCC[C@H](CO)C1 |r| Show InChI InChI=1S/C21H28ClN3O3/c1-13-9-19-18(11-17(13)22)24-21(28-19)25-7-5-15(6-8-25)20(27)23-16-4-2-3-14(10-16)12-26/h9,11,14-16,26H,2-8,10,12H2,1H3,(H,23,27)/t14-,16-/m0/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	340	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES1 mediated PGE2 production in LPS-stimulated human whole blood by ELISA				Bioorg Med Chem Lett 23: 1120-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.107 BindingDB Entry DOI: 10.7270/Q26W9CDS
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426963 (CHEMBL2325084) Show SMILES Cc1cc2oc(nc2cc1Cl)N1CCC(CC1)C(=O)N[C@H]1CCC[C@H](CO)C1 |r| Show InChI InChI=1S/C21H28ClN3O3/c1-13-9-19-18(11-17(13)22)24-21(28-19)25-7-5-15(6-8-25)20(27)23-16-4-2-3-14(10-16)12-26/h9,11,14-16,26H,2-8,10,12H2,1H3,(H,23,27)/t14-,16-/m0/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	25	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES-1 (unknown origin) using PGH2 as substrate assessed as PGE2 synthesis by ELISA				Bioorg Med Chem Lett 23: 1114-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
					More data for this Ligand-Target Pair