BDBM50119321 1-(1-Cyclohexylmethyl-4-phenyl-pyrrolidin-3-ylmethyl)-4-{3-[4-(1H-tetrazol-5-yl)-phenyl]-propyl}-piperidin-4-ol::1-(1-cyclohexylmethyl-4-phenyltetrahydro-1H-3-pyrrolylmethyl)-4-{3-[4-(1H-1,2,3,4-tetraazol-5-yl)phenyl]propyl}hexahydro-4-pyridinol::4-(3-(4-(1H-tetrazol-5-yl)phenyl)propyl)-1-(((3S,4S)-1-(cyclohexylmethyl)-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-ol::CHEMBL319593
SMILES: OC1(CCCc2ccc(cc2)-c2nnn[nH]2)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1
InChI Key: InChIKey=MYTRYQKUDUGKTA-IOWSJCHKSA-N
Data: 3 IC50
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)) | BDBM50119321 (1-(1-Cyclohexylmethyl-4-phenyl-pyrrolidin-3-ylmeth...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of [125I]-labeled MIP-1alpha from the C-C chemokine receptor type 5 expressed on CHO cell membranes | Bioorg Med Chem Lett 12: 2997-3000 (2002) BindingDB Entry DOI: 10.7270/Q2RB73ZB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 5 (Homo sapiens (Human)) | BDBM50119321 (1-(1-Cyclohexylmethyl-4-phenyl-pyrrolidin-3-ylmeth...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing University of Technology Curated by ChEMBL | Assay Description Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells | Eur J Med Chem 43: 2724-34 (2008) Article DOI: 10.1016/j.ejmech.2008.01.040 BindingDB Entry DOI: 10.7270/Q2G44Q3W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 5 (Homo sapiens (Human)) | BDBM50119321 (1-(1-Cyclohexylmethyl-4-phenyl-pyrrolidin-3-ylmeth...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description In vitro binding affinity at CCR5 receptor in the presence of [125I]-MIP-1 alpha. | Bioorg Med Chem Lett 12: 3001-4 (2002) BindingDB Entry DOI: 10.7270/Q2MK6C71 | |||||||||||
More data for this Ligand-Target Pair |