BDBM50401101 CHEMBL2205155

SMILES: Cc1c(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)c2ccccc2n1-c1nnn[nH]1

InChI Key: InChIKey=PKLKEFVLJVXDEP-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 = 50401101   

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))	BDBM50401101 (CHEMBL2205155) Show SMILES Cc1c(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)c2ccccc2n1-c1nnn[nH]1 |(26.03,-37.21,;24.5,-37.21,;23.58,-35.96,;24.36,-34.63,;25.9,-34.64,;26.67,-33.31,;28.21,-33.32,;28.98,-34.65,;28.19,-35.97,;28.96,-37.31,;30.5,-37.32,;31.27,-35.98,;30.51,-34.65,;25.91,-31.97,;26.68,-30.64,;24.37,-31.97,;23.59,-30.63,;22.05,-30.63,;21.28,-31.98,;22.05,-33.31,;23.59,-33.31,;22.11,-36.44,;20.77,-35.67,;19.45,-36.44,;19.44,-37.99,;20.78,-38.76,;22.11,-37.99,;23.58,-38.46,;24.06,-39.93,;25.53,-40.4,;25.53,-41.94,;24.07,-42.42,;23.16,-41.17,)| Show InChI InChI=1S/C25H19N7O/c1-16-22(20-13-7-8-14-21(20)32(16)25-26-29-30-27-25)23-18-11-5-6-12-19(18)24(33)31(28-23)15-17-9-3-2-4-10-17/h2-14H,15H2,1H3,(H,26,27,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	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