BDBM50511257 CHEMBL4577693
SMILES: [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(NC(=N)NCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CCCCC[N+]4=C(\C=C\C=C\C=C5\N(C)c6ccc(cc6C5(C)C)S(O)(=O)=O)C(C)(C)c5cc(ccc45)S([O-])(=O)=O)cc12)ccc3O
InChI Key: InChIKey=HCVZFSVJQSJQAZ-YRYQVCONSA-N
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)) | BDBM50511257 (CHEMBL4577693) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Julius Maximilian University of W£rzburg Curated by ChEMBL | Assay Description Displacement of [3H]-diprenorphine from recombinant human KOR transiently expressed in HEK293 cell membranes measured after 60 mins | J Med Chem 63: 3596-3609 (2020) Article DOI: 10.1021/acs.jmedchem.9b02011 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50511257 (CHEMBL4577693) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 133 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Julius Maximilian University of W£rzburg Curated by ChEMBL | Assay Description Displacement of [3H]-diprenorphine from recombinant human MOR transiently expressed in HEK293 cell membranes measured after 60 mins | J Med Chem 63: 3596-3609 (2020) Article DOI: 10.1021/acs.jmedchem.9b02011 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50511257 (CHEMBL4577693) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 193 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Julius Maximilian University of W£rzburg Curated by ChEMBL | Assay Description Displacement of [3H]-diprenorphine from recombinant human DOR transiently expressed in HEK293 cell membranes measured after 60 mins | J Med Chem 63: 3596-3609 (2020) Article DOI: 10.1021/acs.jmedchem.9b02011 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50511257 (CHEMBL4577693) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a |
Julius Maximilian University of W£rzburg Curated by ChEMBL | Assay Description Binding affinity to recombinant human KOR transiently expressed in CHOK1 cells measured after 20 mins by TIRF microscopic analysis | J Med Chem 63: 3596-3609 (2020) Article DOI: 10.1021/acs.jmedchem.9b02011 | |||||||||||
More data for this Ligand-Target Pair |