BDBM50509863 CHEMBL4470701
SMILES: CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(C)(=O)=O)C1)N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O
InChI Key: InChIKey=CJGHKRWUTQLMOP-REIYTJMXSA-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 2 (Homo sapiens (Human)) | BDBM50509863 (CHEMBL4470701) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Displacement of [125I]MCP1 from CCR2 in human PBMC measured after 30 mins | ACS Med Chem Lett 10: 300-305 (2019) Article DOI: 10.1021/acsmedchemlett.8b00439 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
CCR5/mu opioid receptor complex (Homo sapiens (Human)) | BDBM50509863 (CHEMBL4470701) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Antagonist activity at CCR5 (unknown origin) expressed in human HT1080 cells assessed as blockade of MIP1beta-binding to receptor | ACS Med Chem Lett 10: 300-305 (2019) Article DOI: 10.1021/acsmedchemlett.8b00439 | |||||||||||
More data for this Ligand-Target Pair |