BDBM50401124 CHEMBL2205144

SMILES: Cc1c(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)c2cc(F)ccc2n1CC(O)=O

InChI Key: InChIKey=OWSSCBDNRSPVSB-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 = 50401124   

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))	BDBM50401124 (CHEMBL2205144) Show SMILES Cc1c(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)c2cc(F)ccc2n1CC(O)=O |(8.23,-6.54,;6.69,-6.54,;5.77,-5.29,;6.5,-3.93,;8.04,-3.88,;8.76,-2.52,;10.3,-2.47,;11.12,-3.77,;10.39,-5.13,;11.2,-6.43,;12.75,-6.38,;13.47,-5.01,;12.65,-3.71,;7.94,-1.21,;8.66,.16,;6.4,-1.28,;5.59,.03,;4.05,-.04,;3.34,-1.4,;4.16,-2.69,;5.68,-2.63,;4.3,-5.77,;2.96,-5,;1.63,-5.78,;.3,-5,;1.63,-7.32,;2.96,-8.09,;4.3,-7.32,;5.77,-7.8,;6.49,-9.16,;5.67,-10.47,;4.13,-10.41,;6.39,-11.83,)| Show InChI InChI=1S/C26H20FN3O3/c1-16-24(21-13-18(27)11-12-22(21)29(16)15-23(31)32)25-19-9-5-6-10-20(19)26(33)30(28-25)14-17-7-3-2-4-8-17/h2-13H,14-15H2,1H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from recombinant human CRTH2 receptor expressed in CHO-K1 cells after 30 min by FRET method				J Med Chem 55: 5088-109 (2012) Article DOI: 10.1021/jm300007n BindingDB Entry DOI: 10.7270/Q2S75HH0
					More data for this Ligand-Target Pair