BDBM50188309 2-(3-(8-fluoroquinolin-4-yl)-2,5-dimethyl-1H-indol-1-yl)acetic acid::CHEMBL213854

SMILES: Cc1c(-c2ccnc3c(F)cccc23)c2cc(C)ccc2n1CC(O)=O

InChI Key: InChIKey=XONPFUGOIKOYNU-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 50188309   

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))	BDBM50188309 (2-(3-(8-fluoroquinolin-4-yl)-2,5-dimethyl-1H-indol...) Show SMILES Cc1c(-c2ccnc3c(F)cccc23)c2cc(C)ccc2n1CC(O)=O |(24.76,-.53,;23.22,-.54,;22.31,-1.8,;22.79,-3.27,;24.3,-3.56,;24.78,-5.02,;23.76,-6.18,;22.25,-5.87,;21.24,-7.01,;21.73,-8.47,;19.74,-6.71,;19.25,-5.25,;20.27,-4.1,;21.77,-4.41,;20.83,-1.33,;19.49,-2.1,;18.16,-1.33,;16.82,-2.1,;18.16,.22,;19.49,.99,;20.82,.22,;22.3,.71,;22.77,2.17,;24.28,2.5,;25.32,1.36,;24.75,3.97,)| Show InChI InChI=1S/C21H17FN2O2/c1-12-6-7-18-16(10-12)20(13(2)24(18)11-19(25)26)14-8-9-23-21-15(14)4-3-5-17(21)22/h3-10H,11H2,1-2H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 expressed in HEK293 cells				Bioorg Med Chem Lett 16: 4287-90 (2006) Article DOI: 10.1016/j.bmcl.2006.05.062 BindingDB Entry DOI: 10.7270/Q2G44PX7
					More data for this Ligand-Target Pair