BDBM50178714 CHEMBL3814136

SMILES: CC(C)(C)c1ccc(Cn2c(cc3ccc(cc23)C#N)C(O)=O)cc1

InChI Key: InChIKey=UWJRSAGGPZVVRE-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 = 50178714   

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
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM50178714 (CHEMBL3814136) Show SMILES CC(C)(C)c1ccc(Cn2c(cc3ccc(cc23)C#N)C(O)=O)cc1 Show InChI InChI=1S/C21H20N2O2/c1-21(2,3)17-8-5-14(6-9-17)13-23-18-10-15(12-22)4-7-16(18)11-19(23)20(24)25/h4-11H,13H2,1-3H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at CCR9 (unknown origin) assessed as inhibition of TECK-stimulated calcium mobilization preincubated for 10 mins followed by agon...				Bioorg Med Chem Lett 26: 3322-3325 (2016) BindingDB Entry DOI: 10.7270/Q2PZ5BQX
					More data for this Ligand-Target Pair