BDBM50054793 CHEMBL3341972

SMILES: CCCCCCc1c(C(=O)C[C@H](C)CC(O)=O)c2cc(Cl)ccc2n1C

InChI Key: InChIKey=XDSPQHGHALVRAI-AWEZNQCLSA-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 = 50054793   

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))	BDBM50054793 (CHEMBL3341972) Show SMILES CCCCCCc1c(C(=O)C[C@H](C)CC(O)=O)c2cc(Cl)ccc2n1C |r| 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)/t14-/m0/s1	UniProtKB/SwissProt antibodypedia 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
Florida Institute of Technology Curated by ChEMBL					Assay Description Antagonist activity at OXE receptor in human neutrophils assessed as inhibition of calcium mobilization by fluorescence assay				ACS Med Chem Lett 5: 815-9 (2014) Article DOI: 10.1021/ml500161v BindingDB Entry DOI: 10.7270/Q2H70HHM
					More data for this Ligand-Target Pair
TG 1019 (Homo sapiens (Human))	BDBM50054793 (CHEMBL3341972) Show SMILES CCCCCCc1c(C(=O)C[C@H](C)CC(O)=O)c2cc(Cl)ccc2n1C |r| 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)/t14-/m0/s1	UniProtKB/SwissProt antibodypedia 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
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))	BDBM50054793 (CHEMBL3341972) Show SMILES CCCCCCc1c(C(=O)C[C@H](C)CC(O)=O)c2cc(Cl)ccc2n1C |r| 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)/t14-/m0/s1	UniProtKB/SwissProt antibodypedia 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
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