null
SMILES: [H][C@]12CC[C@]([H])(CC(C1)n1c(CCNC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]3CC[C@@]4(O)[C@@]5([H])Cc6ccc(O)c7O[C@]3([H])[C@]4(CCN5CC3CC3)c67)nnc1C(C)C)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1
InChI Key:
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 (Macaca fascicularis) | BDBM50583784 (CHEMBL5074744) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of [125I]1-alpha from recombinant rhesus macaque CCR5 expressed in Chem-1 cells incubated for 90 mins by competitive radioligand binding... | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00408 BindingDB Entry DOI: 10.7270/Q2R49VPJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (MOUSE) | BDBM50583784 (CHEMBL5074744) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of [3H]-naloxone from mouse MOR expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding assay | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00408 BindingDB Entry DOI: 10.7270/Q2R49VPJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (MOUSE) | BDBM50583784 (CHEMBL5074744) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Antagonist activity at mouse MOR expressed in CHO cells assessed as inhibition of DAMGO-induced calcium mobilization preincubated for 60 mins measure... | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00408 BindingDB Entry DOI: 10.7270/Q2R49VPJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (MOUSE) | BDBM50583784 (CHEMBL5074744) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 36 | n/a | n/a | n/a | n/a |
TBA | Assay Description Agonist activity at mouse MOR expressed in CHO cells coexpressing Gqi5 assessed as inhibition of DAMGO-induced calcium mobilization preincubated for ... | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00408 BindingDB Entry DOI: 10.7270/Q2R49VPJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50583784 (CHEMBL5074744) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 247 | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of MOR-mediated HIV1 BaL01 infection in GFP-tagged human OPRM1 transfected TZM-bl cells co-expressing HIV1 - LTR assessed as inhibition of... | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00408 BindingDB Entry DOI: 10.7270/Q2R49VPJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 5 (Homo sapiens (Human)) | BDBM50583784 (CHEMBL5074744) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Antagonist activity at CCR5 (unknown origin) expressed in HOS cells co-expressing Gqi-5 assessed as inhibition CCL5-stimulated Ca2+ mobilization by c... | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00408 BindingDB Entry DOI: 10.7270/Q2R49VPJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 5 (Homo sapiens (Human)) | BDBM50583784 (CHEMBL5074744) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 93 | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of CCR5-mediated HIV-1 Bal entry in human GHOST CCR5 cells assessed as decrease in viral reverse transcriptase activity by measuring [3H]t... | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00408 BindingDB Entry DOI: 10.7270/Q2R49VPJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50583784 (CHEMBL5074744) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 368 | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of MOR-mediated HIV1 BaL01 infection in GFP-tagged human OPRM1 transfected TZM-bl cells co-expressing HIV1 - LTR assessed as inhibition of... | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00408 BindingDB Entry DOI: 10.7270/Q2R49VPJ | |||||||||||
More data for this Ligand-Target Pair |