BDBM50401126 CHEMBL2204493

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

InChI Key: InChIKey=PNTSJYFINLWWEG-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50401126   

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))	BDBM50401126 (CHEMBL2204493) Show SMILES Cc1c(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)c2cc(Cl)ccc2n1CC(O)=O |(23.87,-56.05,;22.33,-56.05,;21.42,-54.8,;22.14,-53.44,;23.68,-53.39,;24.41,-52.03,;25.95,-51.98,;26.76,-53.28,;26.03,-54.64,;26.85,-55.94,;28.39,-55.89,;29.11,-54.52,;28.29,-53.22,;23.59,-50.72,;24.31,-49.36,;22.04,-50.79,;21.23,-49.49,;19.7,-49.55,;18.98,-50.91,;19.8,-52.2,;21.32,-52.14,;19.94,-55.28,;18.61,-54.51,;17.28,-55.28,;15.94,-54.51,;17.27,-56.83,;18.61,-57.6,;19.94,-56.83,;21.42,-57.31,;22.14,-58.67,;21.31,-59.98,;19.77,-59.92,;22.03,-61.34,)| Show InChI InChI=1S/C26H20ClN3O3/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
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