BDBM50321682 CHEMBL1172035::nifeviroc
SMILES: O[C@@]1(CN(C[C@@H]1CN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)[N+]([O-])=O)C(=O)C1CCCC1)c1ccccc1
InChI Key: InChIKey=JNSKQYZFEVKYDB-UVMMSNCQSA-N
Data: 4 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)) | BDBM50321682 (CHEMBL1172035 | nifeviroc) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Antagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assay | Bioorg Med Chem Lett 20: 4012-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.102 BindingDB Entry DOI: 10.7270/Q2H132Z4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 5 (Mus musculus) | BDBM50321682 (CHEMBL1172035 | nifeviroc) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University Curated by ChEMBL | Assay Description Displacement of [125I]-RANTES from CCR5 in mouse NIH/3T3 cells after 1 hr | Eur J Med Chem 147: 115-129 (2018) Article DOI: 10.1016/j.ejmech.2018.01.085 BindingDB Entry DOI: 10.7270/Q25X2CHH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 5 (Homo sapiens (Human)) | BDBM50321682 (CHEMBL1172035 | nifeviroc) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Antagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced calcium elevation | Bioorg Med Chem Lett 20: 4012-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.102 BindingDB Entry DOI: 10.7270/Q2H132Z4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 5 (Homo sapiens (Human)) | BDBM50321682 (CHEMBL1172035 | nifeviroc) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of human CCR5 expressed in CHO cells assessed as inhibition of RANTES-stimulated [35S]GTPgammaS binding | Bioorg Med Chem Lett 20: 5334-6 (2010) Article DOI: 10.1016/j.bmcl.2010.05.046 BindingDB Entry DOI: 10.7270/Q2J67H49 | |||||||||||
More data for this Ligand-Target Pair |