BDBM50446952 CHEMBL3115775

SMILES: CCCCCCc1c(C(=O)CC(C)CC(O)=O)c2cc(Cl)ccc2n1C

InChI Key: InChIKey=XDSPQHGHALVRAI-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50446952   

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
TG 1019 (Homo sapiens (Human))	BDBM50446952 (CHEMBL3115775) Show SMILES CCCCCCc1c(C(=O)CC(C)CC(O)=O)c2cc(Cl)ccc2n1C Show InChI InChI=1S/C21H28ClNO3/c1-4-5-6-7-8-18-21(19(24)11-14(2)12-20(25)26)16-13-15(22)9-10-17(16)23(18)3/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,25,26)	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	454	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Antagonist activity at OXE receptor (unknown origin) expressed in neutrophils assessed as inhibition of 5-oxo-ETE-induced cell migration after 2 hrs ...				J Med Chem 57: 364-77 (2014) Article DOI: 10.1021/jm401292m BindingDB Entry DOI: 10.7270/Q2N87C82
					More data for this Ligand-Target Pair
TG 1019 (Homo sapiens (Human))	BDBM50446952 (CHEMBL3115775) Show SMILES CCCCCCc1c(C(=O)CC(C)CC(O)=O)c2cc(Cl)ccc2n1C Show InChI InChI=1S/C21H28ClNO3/c1-4-5-6-7-8-18-21(19(24)11-14(2)12-20(25)26)16-13-15(22)9-10-17(16)23(18)3/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,25,26)	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Antagonist activity at OXE receptor (unknown origin) expressed in anti-CD49d-labeled eosinophils assessed as inhibition of 5-oxo-ETE-induced F-actin ...				J Med Chem 57: 364-77 (2014) Article DOI: 10.1021/jm401292m BindingDB Entry DOI: 10.7270/Q2N87C82
					More data for this Ligand-Target Pair
TG 1019 (Homo sapiens (Human))	BDBM50446952 (CHEMBL3115775) Show SMILES CCCCCCc1c(C(=O)CC(C)CC(O)=O)c2cc(Cl)ccc2n1C Show InChI InChI=1S/C21H28ClNO3/c1-4-5-6-7-8-18-21(19(24)11-14(2)12-20(25)26)16-13-15(22)9-10-17(16)23(18)3/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,25,26)	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Antagonist activity at OXE receptor (unknown origin) expressed in indo-1 loaded neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobil...				J Med Chem 57: 364-77 (2014) Article DOI: 10.1021/jm401292m BindingDB Entry DOI: 10.7270/Q2N87C82
					More data for this Ligand-Target Pair
TG 1019 (Homo sapiens (Human))	BDBM50446952 (CHEMBL3115775) Show SMILES CCCCCCc1c(C(=O)CC(C)CC(O)=O)c2cc(Cl)ccc2n1C Show InChI InChI=1S/C21H28ClNO3/c1-4-5-6-7-8-18-21(19(24)11-14(2)12-20(25)26)16-13-15(22)9-10-17(16)23(18)3/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,25,26)	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Florida Institute of Technology Curated by ChEMBL					Assay Description Antagonist activity at OXE receptor in human neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobilization incubated for 2 mins follow...				J Med Chem 61: 5934-5948 (2018) Article DOI: 10.1021/acs.jmedchem.8b00154 BindingDB Entry DOI: 10.7270/Q22F7R48
					More data for this Ligand-Target Pair
TG 1019 (Homo sapiens (Human))	BDBM50446952 (CHEMBL3115775) Show SMILES CCCCCCc1c(C(=O)CC(C)CC(O)=O)c2cc(Cl)ccc2n1C Show InChI InChI=1S/C21H28ClNO3/c1-4-5-6-7-8-18-21(19(24)11-14(2)12-20(25)26)16-13-15(22)9-10-17(16)23(18)3/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,25,26)	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Antagonist activity at OXE receptor (unknown origin) expressed in indo-1 loaded neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobil...				J Med Chem 57: 364-77 (2014) Article DOI: 10.1021/jm401292m BindingDB Entry DOI: 10.7270/Q2N87C82
					More data for this Ligand-Target Pair
TG 1019 (Homo sapiens (Human))	BDBM50446952 (CHEMBL3115775) Show SMILES CCCCCCc1c(C(=O)CC(C)CC(O)=O)c2cc(Cl)ccc2n1C Show InChI InChI=1S/C21H28ClNO3/c1-4-5-6-7-8-18-21(19(24)11-14(2)12-20(25)26)16-13-15(22)9-10-17(16)23(18)3/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,25,26)	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Claude Pepper Institute and Department of Chemistry, Florida Institute of Technology, 150 West University Boulevard, Melbourne, FL 32901, USA. Curated by ChEMBL					Assay Description Antagonist activity at OXE receptor in human neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobilization incubated for 2 mins follow...				Bioorg Med Chem Lett 27: 4770-4776 (2017) Article DOI: 10.1016/j.bmcl.2017.08.034 BindingDB Entry DOI: 10.7270/Q2W098DS
					More data for this Ligand-Target Pair
TG 1019 (Homo sapiens (Human))	BDBM50446952 (CHEMBL3115775) Show SMILES CCCCCCc1c(C(=O)CC(C)CC(O)=O)c2cc(Cl)ccc2n1C Show InChI InChI=1S/C21H28ClNO3/c1-4-5-6-7-8-18-21(19(24)11-14(2)12-20(25)26)16-13-15(22)9-10-17(16)23(18)3/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,25,26)	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Antagonist activity at OXE receptor (unknown origin) expressed in indo-1 loaded neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobil...				J Med Chem 57: 364-77 (2014) Article DOI: 10.1021/jm401292m BindingDB Entry DOI: 10.7270/Q2N87C82
					More data for this Ligand-Target Pair