BDBM50243945 2-(1,4'-Bipiperidine-1'-yl)-N-cycloheptyl-6,7-dimethoxyquinazolin-4-amine::2-(1,4'-bipiperidin-1'-yl)-N-cycloheptyl-6,7-dimethoxyquinazolin-4-amine::CHEMBL508207::N-cycloheptyl-6,7-dimethoxy-2-(4-(piperidin-1-yl)piperidin-1-yl)quinazolin-4-amine

SMILES: COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCCC1

InChI Key: InChIKey=WYVBISCFCHREDA-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50243945   

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))	BDBM50243945 (2-(1,4'-Bipiperidine-1'-yl)-N-cycloheptyl-6,7-dime...) Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C27H41N5O2/c1-33-24-18-22-23(19-25(24)34-2)29-27(30-26(22)28-20-10-6-3-4-7-11-20)32-16-12-21(13-17-32)31-14-8-5-9-15-31/h18-21H,3-17H2,1-2H3,(H,28,29,30)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	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
C-C chemokine receptor type 4 (CCR4) (Homo sapiens (Human))	BDBM50243945 (2-(1,4'-Bipiperidine-1'-yl)-N-cycloheptyl-6,7-dime...) Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C27H41N5O2/c1-33-24-18-22-23(19-25(24)34-2)29-27(30-26(22)28-20-10-6-3-4-7-11-20)32-16-12-21(13-17-32)31-14-8-5-9-15-31/h18-21H,3-17H2,1-2H3,(H,28,29,30)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	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 assessed as CCL22-induced [35S]GTPgammaS binding				Bioorg Med Chem 17: 64-73 (2008) Article DOI: 10.1016/j.bmc.2008.11.020 BindingDB Entry DOI: 10.7270/Q21836BS
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4) (Homo sapiens (Human))	BDBM50243945 (2-(1,4'-Bipiperidine-1'-yl)-N-cycloheptyl-6,7-dime...) Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C27H41N5O2/c1-33-24-18-22-23(19-25(24)34-2)29-27(30-26(22)28-20-10-6-3-4-7-11-20)32-16-12-21(13-17-32)31-14-8-5-9-15-31/h18-21H,3-17H2,1-2H3,(H,28,29,30)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	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 assessed as CCL22-induced chemotaxis				Bioorg Med Chem 17: 64-73 (2008) Article DOI: 10.1016/j.bmc.2008.11.020 BindingDB Entry DOI: 10.7270/Q21836BS
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Mus musculus)	BDBM50243945 (2-(1,4'-Bipiperidine-1'-yl)-N-cycloheptyl-6,7-dime...) Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C27H41N5O2/c1-33-24-18-22-23(19-25(24)34-2)29-27(30-26(22)28-20-10-6-3-4-7-11-20)32-16-12-21(13-17-32)31-14-8-5-9-15-31/h18-21H,3-17H2,1-2H3,(H,28,29,30)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Antagonist activity at mouse CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced chemotaxis				Bioorg Med Chem 17: 64-73 (2008) Article DOI: 10.1016/j.bmc.2008.11.020 BindingDB Entry DOI: 10.7270/Q21836BS
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4) (Homo sapiens (Human))	BDBM50243945 (2-(1,4'-Bipiperidine-1'-yl)-N-cycloheptyl-6,7-dime...) Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C27H41N5O2/c1-33-24-18-22-23(19-25(24)34-2)29-27(30-26(22)28-20-10-6-3-4-7-11-20)32-16-12-21(13-17-32)31-14-8-5-9-15-31/h18-21H,3-17H2,1-2H3,(H,28,29,30)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [125I]CCl22 from human CCR4 receptor expressed in mouse B300-19 cells by SPA				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