BDBM50104947 (4-{4-[1-(4-Bromo-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-piperidin-1-yl)-(2,6-dimethyl-phenyl)-methanone::CHEMBL322817

SMILES: C[C@H](N1CCN(C[C@@H]1C)C1CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1

InChI Key: InChIKey=RKSSDOVJRLDBOC-VXKWHMMOSA-N

Data: 1 KI  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 2 hits for monomerid = 50104947   

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 5 (Homo sapiens (Human))	BDBM50104947 ((4-{4-[1-(4-Bromo-phenyl)-ethyl]-3-methyl-piperazi...) Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1 Show InChI InChI=1S/C27H36BrN3O/c1-19-6-5-7-20(2)26(19)27(32)29-14-12-25(13-15-29)30-16-17-31(21(3)18-30)22(4)23-8-10-24(28)11-9-23/h5-11,21-22,25H,12-18H2,1-4H3/t21-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity towards C-C chemokine receptor type 5				J Med Chem 44: 3343-6 (2001) BindingDB Entry DOI: 10.7270/Q23X85X2
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50104947 ((4-{4-[1-(4-Bromo-phenyl)-ethyl]-3-methyl-piperazi...) Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1 Show InChI InChI=1S/C27H36BrN3O/c1-19-6-5-7-20(2)26(19)27(32)29-14-12-25(13-15-29)30-16-17-31(21(3)18-30)22(4)23-8-10-24(28)11-9-23/h5-11,21-22,25H,12-18H2,1-4H3/t21-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against C-C chemokine receptor type 5				J Med Chem 44: 3343-6 (2001) BindingDB Entry DOI: 10.7270/Q23X85X2
					More data for this Ligand-Target Pair