BDBM50178713 CHEMBL3815051

SMILES: COc1ccc2cc(C(O)=O)n(Cc3ccc(cc3)C(C)(C)C)c2c1

InChI Key: InChIKey=PLNLXMGWEROAFL-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 = 50178713   

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))	BDBM50178713 (CHEMBL3815051) Show SMILES COc1ccc2cc(C(O)=O)n(Cc3ccc(cc3)C(C)(C)C)c2c1 Show InChI InChI=1S/C21H23NO3/c1-21(2,3)16-8-5-14(6-9-16)13-22-18-12-17(25-4)10-7-15(18)11-19(22)20(23)24/h5-12H,13H2,1-4H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	75	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