BDBM50244125 CHEMBL516936::N-cycloheptyl-6-methoxy-2-(4-(pyrrolidin-1-yl)piperidin-1-yl)quinazolin-4-amine

SMILES: COc1ccc2nc(nc(NC3CCCCCC3)c2c1)N1CCC(CC1)N1CCCC1

InChI Key: InChIKey=FSPOQBZJWMWXHN-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 = 50244125   

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 4 (CCR4) (Homo sapiens (Human))	BDBM50244125 (CHEMBL516936 | N-cycloheptyl-6-methoxy-2-(4-(pyrro...) Show SMILES COc1ccc2nc(nc(NC3CCCCCC3)c2c1)N1CCC(CC1)N1CCCC1 Show InChI InChI=1S/C25H37N5O/c1-31-21-10-11-23-22(18-21)24(26-19-8-4-2-3-5-9-19)28-25(27-23)30-16-12-20(13-17-30)29-14-6-7-15-29/h10-11,18-20H,2-9,12-17H2,1H3,(H,26,27,28)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells by [35S]GTPgammaS binding assay				Bioorg Med Chem 16: 7021-32 (2008) Article DOI: 10.1016/j.bmc.2008.05.036 BindingDB Entry DOI: 10.7270/Q2TD9X51
					More data for this Ligand-Target Pair