BDBM50089779 4-cyclopropylmethyl-14-(3,4-diformylphenylcarboxamidomethylcarboxamido)-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-triene
SMILES: Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@H](CC[C@@]35O)NC(=O)CNC(=O)c1ccc(C=O)c(C=O)c1
InChI Key: InChIKey=IROYYIATGDSDTC-BQSNDKTFSA-N
Data: 3 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50089779 (4-cyclopropylmethyl-14-(3,4-diformylphenylcarboxam...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 0.450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of [3H]- diprenorphine binding to Opioid receptor mu 1 (83 fmol/mg protein) stably expressed in membranes from CHO cells | J Med Chem 43: 2489-92 (2000) BindingDB Entry DOI: 10.7270/Q2XW4KH7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50089779 (4-cyclopropylmethyl-14-(3,4-diformylphenylcarboxam...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of [3H]diprenorphine binding to Opioid receptor kappa 1 | J Med Chem 43: 2489-92 (2000) BindingDB Entry DOI: 10.7270/Q2XW4KH7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50089779 (4-cyclopropylmethyl-14-(3,4-diformylphenylcarboxam...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of [3H]- diprenorphine binding to Opioid receptor delta 1 | J Med Chem 43: 2489-92 (2000) BindingDB Entry DOI: 10.7270/Q2XW4KH7 | |||||||||||
More data for this Ligand-Target Pair |