BDBM50104961 (2,6-Dimethyl-phenyl)-{4-[(S)-4-(4-iodo-benzyl)-3-methyl-piperazin-1-yl]-piperidin-1-yl}-methanone::(2,6-Dimethyl-phenyl)-{4-[4-(4-iodo-benzyl)-3-methyl-piperazin-1-yl]-piperidin-1-yl}-methanone::CHEMBL116008

SMILES: C[C@H]1CN(CCN1Cc1ccc(I)cc1)C1CCN(CC1)C(=O)c1c(C)cccc1C

InChI Key: InChIKey=SXKBUSBIAWXPCP-NRFANRHFSA-N

Data: 2 KI

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 = 50104961   

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))	BDBM50104961 ((2,6-Dimethyl-phenyl)-{4-[(S)-4-(4-iodo-benzyl)-3-...) Show SMILES C[C@H]1CN(CCN1Cc1ccc(I)cc1)C1CCN(CC1)C(=O)c1c(C)cccc1C Show InChI InChI=1S/C26H34IN3O/c1-19-5-4-6-20(2)25(19)26(31)28-13-11-24(12-14-28)30-16-15-29(21(3)17-30)18-22-7-9-23(27)10-8-22/h4-10,21,24H,11-18H2,1-3H3/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lindsley F. Kimball Research Institute of The New York Blood Center Curated by ChEMBL					Assay Description Inhibition of RANTES binding to the human C-C chemokine receptor type 5 (CCR5)				J Med Chem 46: 4501-15 (2003) Article DOI: 10.1021/jm030265z BindingDB Entry DOI: 10.7270/Q2SB46GG
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50104961 ((2,6-Dimethyl-phenyl)-{4-[(S)-4-(4-iodo-benzyl)-3-...) Show SMILES C[C@H]1CN(CCN1Cc1ccc(I)cc1)C1CCN(CC1)C(=O)c1c(C)cccc1C Show InChI InChI=1S/C26H34IN3O/c1-19-5-4-6-20(2)25(19)26(31)28-13-11-24(12-14-28)30-16-15-29(21(3)17-30)18-22-7-9-23(27)10-8-22/h4-10,21,24H,11-18H2,1-3H3/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	30	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