BDBM50141874 (R)-2-((3S,4S)-3-((4-(3-benzyl-1-ethyl-1H-pyrazol-5-yl)piperidin-1-yl)methyl)-4-(3-fluorophenyl)pyrrolidin-1-yl)-3,3-dimethylbutanoic acid::(R)-2-[(2S,3S)-3-[4-(5-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3,3-dimethyl-butyric acid::2-[3-[4-(5-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3,3-dimethyl-butyric acid::CHEMBL172854
SMILES: CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1
InChI Key: InChIKey=IIVZUBFHVGRROU-KUYURNMDSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM50141874 ((R)-2-((3S,4S)-3-((4-(3-benzyl-1-ethyl-1H-pyrazol-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Binding affinity against hERG Voltage-gated potassium channel subunit Kv11.1 | Bioorg Med Chem Lett 14: 947-52 (2004) Article DOI: 10.1016/j.bmcl.2003.12.006 BindingDB Entry DOI: 10.7270/Q2F18Z5V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 5 (Homo sapiens (Human)) | BDBM50141874 ((R)-2-((3S,4S)-3-((4-(3-benzyl-1-ethyl-1H-pyrazol-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.800 | 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)) | BDBM50141874 ((R)-2-((3S,4S)-3-((4-(3-benzyl-1-ethyl-1H-pyrazol-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of [125I]-MIP-1 alpha from human CX3C chemokine receptor 5 expressed in CHO cells | Bioorg Med Chem Lett 14: 941-5 (2004) Article DOI: 10.1016/j.bmcl.2003.12.005 BindingDB Entry DOI: 10.7270/Q2JS9PVD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 5 (Homo sapiens (Human)) | BDBM50141874 ((R)-2-((3S,4S)-3-((4-(3-benzyl-1-ethyl-1H-pyrazol-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibitory concentration for displacement of [125I]-MIP-1 alpha from recombinant human CC chemokine receptor 5 (CCR5) expressed in CHO cell | Bioorg Med Chem Lett 14: 947-52 (2004) Article DOI: 10.1016/j.bmcl.2003.12.006 BindingDB Entry DOI: 10.7270/Q2F18Z5V | |||||||||||
More data for this Ligand-Target Pair |