BDBM50449260 CHEMBL3125330

SMILES: OCC1(CC(=NO1)c1ccc2c(c1)nc(CCCCC(O)=O)n(-c1ccc(F)cc1)c2=O)c1ccccc1

InChI Key: InChIKey=NKIBKNQESRHCJL-UHFFFAOYSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50449260   

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
G protein-coupled receptor 44 (Homo sapiens (Human))	BDBM50449260 (CHEMBL3125330) Show SMILES OCC1(CC(=NO1)c1ccc2c(c1)nc(CCCCC(O)=O)n(-c1ccc(F)cc1)c2=O)c1ccccc1 |c:4| Show InChI InChI=1S/C29H26FN3O5/c30-21-11-13-22(14-12-21)33-26(8-4-5-9-27(35)36)31-24-16-19(10-15-23(24)28(33)37)25-17-29(18-34,38-32-25)20-6-2-1-3-7-20/h1-3,6-7,10-16,34H,4-5,8-9,17-18H2,(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human CRTH2 receptor expressed in CHO-1 cells assessed as inhibition of PGD2-induced Ca2+ flux preincubated for 30 mins follow...				Bioorg Med Chem Lett 24: 1615-20 (2014) Article DOI: 10.1016/j.bmcl.2014.01.043 BindingDB Entry DOI: 10.7270/Q2JQ12G9
					More data for this Ligand-Target Pair
G protein-coupled receptor 44 (Homo sapiens (Human))	BDBM50449260 (CHEMBL3125330) Show SMILES OCC1(CC(=NO1)c1ccc2c(c1)nc(CCCCC(O)=O)n(-c1ccc(F)cc1)c2=O)c1ccccc1 |c:4| Show InChI InChI=1S/C29H26FN3O5/c30-21-11-13-22(14-12-21)33-26(8-4-5-9-27(35)36)31-24-16-19(10-15-23(24)28(33)37)25-17-29(18-34,38-32-25)20-6-2-1-3-7-20/h1-3,6-7,10-16,34H,4-5,8-9,17-18H2,(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human CRTH2 receptor expressed in HEK cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 10 min...				Bioorg Med Chem Lett 24: 1615-20 (2014) Article DOI: 10.1016/j.bmcl.2014.01.043 BindingDB Entry DOI: 10.7270/Q2JQ12G9
					More data for this Ligand-Target Pair