BDBM50123437 (2-Methoxy-4,6-dimethyl-pyrimidin-5-yl)-(4-methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::CHEMBL140706
SMILES: COc1nc(C)c(C(=O)N2CCC(C)(CC2)N2CCN([C@@H](C)c3ccc(cc3)C(F)(F)F)[C@@H](C)C2)c(C)n1
InChI Key: InChIKey=BUZVRSCZMYHLGQ-RXVVDRJESA-N
Data: 3 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 |
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C-C chemokine receptor type 5 (Homo sapiens (Human)) | BDBM50123437 ((2-Methoxy-4,6-dimethyl-pyrimidin-5-yl)-(4-methyl-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 11 | 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 Ability to inhibit [125I]-labeled RANTES binding to the CCR5 receptor expressed in membrane preparations from CHO cells | Bioorg Med Chem Lett 13: 567-71 (2003) BindingDB Entry DOI: 10.7270/Q28K78G6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 5 (Homo sapiens (Human)) | BDBM50123437 ((2-Methoxy-4,6-dimethyl-pyrimidin-5-yl)-(4-methyl-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 11 | 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 | |||||||||||||
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human)) | BDBM50123437 ((2-Methoxy-4,6-dimethyl-pyrimidin-5-yl)-(4-methyl-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 202 | 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 muscarinic receptor M2 | Bioorg Med Chem Lett 13: 567-71 (2003) BindingDB Entry DOI: 10.7270/Q28K78G6 | |||||||||||
More data for this Ligand-Target Pair |