BDBM50084150 CHEMBL3425951

SMILES: CN(C)CCC(=O)Nc1cncc(c1)-c1cccc2[nH]ccc12

InChI Key: InChIKey=PQZUAOABAJEGLH-UHFFFAOYSA-N

Data: 2 IC50  2 Kd  1 EC50

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 5 hits for monomerid = 50084150   

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 D Synthase (Homo sapiens (Human))	BDBM50084150 (CHEMBL3425951) Show SMILES CN(C)CCC(=O)Nc1cncc(c1)-c1cccc2[nH]ccc12 Show InChI InChI=1S/C18H20N4O/c1-22(2)9-7-18(23)21-14-10-13(11-19-12-14)15-4-3-5-17-16(15)6-8-20-17/h3-6,8,10-12,20H,7,9H2,1-2H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition fluorescein-conjugated ligand binding to human HPGDS expressed in Escherichia coli by fluorescence polarization assay				Bioorg Med Chem Lett 25: 2496-500 (2015) Article DOI: 10.1016/j.bmcl.2015.04.065 BindingDB Entry DOI: 10.7270/Q2J9683M
					More data for this Ligand-Target Pair
Prostaglandin D Synthase (Homo sapiens (Human))	BDBM50084150 (CHEMBL3425951) Show SMILES CN(C)CCC(=O)Nc1cncc(c1)-c1cccc2[nH]ccc12 Show InChI InChI=1S/C18H20N4O/c1-22(2)9-7-18(23)21-14-10-13(11-19-12-14)15-4-3-5-17-16(15)6-8-20-17/h3-6,8,10-12,20H,7,9H2,1-2H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition human HPGDS expressed in Escherichia coli assessed as reduction in GST enzymatic activity using MCBL and glutathione incubated for 30 mins...				Bioorg Med Chem Lett 25: 2496-500 (2015) Article DOI: 10.1016/j.bmcl.2015.04.065 BindingDB Entry DOI: 10.7270/Q2J9683M
					More data for this Ligand-Target Pair
Prostaglandin D Synthase (Homo sapiens (Human))	BDBM50084150 (CHEMBL3425951) Show SMILES CN(C)CCC(=O)Nc1cncc(c1)-c1cccc2[nH]ccc12 Show InChI InChI=1S/C18H20N4O/c1-22(2)9-7-18(23)21-14-10-13(11-19-12-14)15-4-3-5-17-16(15)6-8-20-17/h3-6,8,10-12,20H,7,9H2,1-2H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to human HPGDS expressed in Escherichia coli using 1-phenylpyrazole-4-carboxylic acid/6-(3-fluorophenyl)pyridine-3-carboxamide as re...				Bioorg Med Chem Lett 25: 2496-500 (2015) Article DOI: 10.1016/j.bmcl.2015.04.065 BindingDB Entry DOI: 10.7270/Q2J9683M
					More data for this Ligand-Target Pair
Prostaglandin D Synthase (Homo sapiens (Human))	BDBM50084150 (CHEMBL3425951) Show SMILES CN(C)CCC(=O)Nc1cncc(c1)-c1cccc2[nH]ccc12 Show InChI InChI=1S/C18H20N4O/c1-22(2)9-7-18(23)21-14-10-13(11-19-12-14)15-4-3-5-17-16(15)6-8-20-17/h3-6,8,10-12,20H,7,9H2,1-2H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to human HPGDS expressed in Escherichia coli by isothermal titration calorimetry				Bioorg Med Chem Lett 25: 2496-500 (2015) Article DOI: 10.1016/j.bmcl.2015.04.065 BindingDB Entry DOI: 10.7270/Q2J9683M
					More data for this Ligand-Target Pair
Prostaglandin D Synthase (Homo sapiens (Human))	BDBM50084150 (CHEMBL3425951) Show SMILES CN(C)CCC(=O)Nc1cncc(c1)-c1cccc2[nH]ccc12 Show InChI InChI=1S/C18H20N4O/c1-22(2)9-7-18(23)21-14-10-13(11-19-12-14)15-4-3-5-17-16(15)6-8-20-17/h3-6,8,10-12,20H,7,9H2,1-2H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	350	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition HPGDS in human MEG01 cells assessed as reduction in PGD2 production incubated for 30 mins followed by stimulation with 5 uM ionomycin for ...				Bioorg Med Chem Lett 25: 2496-500 (2015) Article DOI: 10.1016/j.bmcl.2015.04.065 BindingDB Entry DOI: 10.7270/Q2J9683M
					More data for this Ligand-Target Pair