BDBM50165051 17-cyclopropylmethyl-3,4,10-trihydroxy-(1R,9R,10S)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one::CHEMBL195787
SMILES: Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)c2c1O
InChI Key: InChIKey=JPQCJRFXGOOSTK-NSISKUIASA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50165051 (17-cyclopropylmethyl-3,4,10-trihydroxy-(1R,9R,10S)...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute Curated by ChEMBL | Assay Description Binding affinity against Opioid receptor kappa 1 expressed in CHO cells using [3H]U-69593 as radioligand | Bioorg Med Chem Lett 15: 2107-10 (2005) Article DOI: 10.1016/j.bmcl.2005.02.032 BindingDB Entry DOI: 10.7270/Q2C24X63 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50165051 (17-cyclopropylmethyl-3,4,10-trihydroxy-(1R,9R,10S)...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute Curated by ChEMBL | Assay Description Binding affinity against Opioid receptor mu 1 expressed in CHO cells using [3H]DAMGO as radioligand | Bioorg Med Chem Lett 15: 2107-10 (2005) Article DOI: 10.1016/j.bmcl.2005.02.032 BindingDB Entry DOI: 10.7270/Q2C24X63 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50165051 (17-cyclopropylmethyl-3,4,10-trihydroxy-(1R,9R,10S)...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute Curated by ChEMBL | Assay Description Binding affinity against Opioid receptor delta 1 expressed in CHO cells using [3H]Naltrindole as radioligand | Bioorg Med Chem Lett 15: 2107-10 (2005) Article DOI: 10.1016/j.bmcl.2005.02.032 BindingDB Entry DOI: 10.7270/Q2C24X63 | |||||||||||
More data for this Ligand-Target Pair |