BDBM50401099 CHEMBL2205157

SMILES: CC(C(O)=O)n1c(C)c(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)c2ccccc12

InChI Key: InChIKey=WNFCPRXLLMTDPX-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 = 50401099   

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))	BDBM50401099 (CHEMBL2205157) Show SMILES CC(C(O)=O)n1c(C)c(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)c2ccccc12 |(8.1,-55.32,;6.59,-55,;5.56,-56.14,;4.05,-55.83,;6.04,-57.61,;6.11,-53.53,;7.02,-52.28,;8.56,-52.28,;6.11,-51.02,;6.89,-49.7,;8.43,-49.71,;9.2,-48.38,;10.74,-48.38,;11.51,-49.72,;10.73,-51.04,;11.49,-52.38,;13.03,-52.39,;13.81,-51.05,;13.04,-49.72,;8.44,-47.04,;9.21,-45.71,;6.9,-47.03,;6.12,-45.7,;4.57,-45.7,;3.8,-47.05,;4.58,-48.38,;6.12,-48.37,;4.64,-51.5,;3.3,-50.74,;1.97,-51.51,;1.97,-53.05,;3.3,-53.82,;4.64,-53.05,)| Show InChI InChI=1S/C27H23N3O3/c1-17-24(22-14-8-9-15-23(22)30(17)18(2)27(32)33)25-20-12-6-7-13-21(20)26(31)29(28-25)16-19-10-4-3-5-11-19/h3-15,18H,16H2,1-2H3,(H,32,33)	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