BDBM50104951 (2-Hydroxy-6-methyl-phenyl)-(4-{(S)-4-[(S)-1-(4-iodo-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-4-methyl-piperidin-1-yl)-methanone::(2-Hydroxy-6-methyl-phenyl)-(4-{4-[1-(4-iodo-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-4-methyl-piperidin-1-yl)-methanone::CHEMBL326020
SMILES: C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cccc1O)c1ccc(I)cc1
InChI Key: InChIKey=KFQDPQKXTSWQOC-SFTDATJTSA-N
Data: 2 KI
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)) | BDBM50104951 ((2-Hydroxy-6-methyl-phenyl)-(4-{(S)-4-[(S)-1-(4-io...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 7 | 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)) | BDBM50104951 ((2-Hydroxy-6-methyl-phenyl)-(4-{(S)-4-[(S)-1-(4-io...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 12 | 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 |