BDBM50329240 1-(3-(3-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-1-phenylpropyl)azetidin-1-yl)-3-methylbutan-1-one::CHEMBL1269992
SMILES: CC(C)CC(=O)N1CC(C1)C(CCN1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)ncnc1C)c1ccccc1
InChI Key: InChIKey=TWHQUHAKEQPJPV-YHQISMHQSA-N
Data: 2 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)) | BDBM50329240 (1-(3-(3-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-car...) | 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 | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto Curated by ChEMBL | Assay Description Inhibition of CCR5 by cell-cell fusion inhibition assay | Bioorg Med Chem Lett 20: 6802-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.118 BindingDB Entry DOI: 10.7270/Q29G5N1F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C motif chemokine 5 (Homo sapiens (Human)) | BDBM50329240 (1-(3-(3-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-car...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >500 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto Curated by ChEMBL | Assay Description Inhibition of RANTES | Bioorg Med Chem Lett 20: 6802-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.118 BindingDB Entry DOI: 10.7270/Q29G5N1F | |||||||||||
More data for this Ligand-Target Pair |