BDBM50449266 CHEMBL3125336

SMILES: C[C@]1(CC(=NO1)c1ccc2c(c1)nc(CCCCC(O)=O)n(-c1ccc(F)cc1)c2=O)c1cc(F)cc(F)c1

InChI Key: InChIKey=PBKPNTYJZNMMQO-LJAQVGFWSA-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 = 50449266   

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))	BDBM50449266 (CHEMBL3125336) Show SMILES C[C@]1(CC(=NO1)c1ccc2c(c1)nc(CCCCC(O)=O)n(-c1ccc(F)cc1)c2=O)c1cc(F)cc(F)c1 |r,c:3| Show InChI InChI=1S/C29H24F3N3O4/c1-29(18-13-20(31)15-21(32)14-18)16-25(34-39-29)17-6-11-23-24(12-17)33-26(4-2-3-5-27(36)37)35(28(23)38)22-9-7-19(30)8-10-22/h6-15H,2-5,16H2,1H3,(H,36,37)/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	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))	BDBM50449266 (CHEMBL3125336) Show SMILES C[C@]1(CC(=NO1)c1ccc2c(c1)nc(CCCCC(O)=O)n(-c1ccc(F)cc1)c2=O)c1cc(F)cc(F)c1 |r,c:3| Show InChI InChI=1S/C29H24F3N3O4/c1-29(18-13-20(31)15-21(32)14-18)16-25(34-39-29)17-6-11-23-24(12-17)33-26(4-2-3-5-27(36)37)35(28(23)38)22-9-7-19(30)8-10-22/h6-15H,2-5,16H2,1H3,(H,36,37)/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80	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