BDBM50049560 (4S,5'R,13'R,17'S)-2-[(5R,13R,14R,17S)-14-amino-4- (cyclopropylmethyl)-10,17-dihydroxy-12-oxa-4- azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca- 7(18),8,10-trien-14-yl]-4'-(cyclopropylmethyl)- 10',17'-dihydroxy-3,5-dihydro-12'-oxa-4'- azaspiro[imidazole-4,14'- pentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadecane]- 7',9',11'(18')-trien-5-one::CHEMBL298574
SMILES: N[C@]1(CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1C2(CCN3CC1CC1)c45)C1=N[C@]2(CC[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H]2C3(CCN4CC2CC2)c56)C(=O)N1
InChI Key: InChIKey=QJMWONLUUGZNIQ-DQSJYHHLSA-N
Data: 2 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 (Cavia porcellus (domestic guinea pig)) | BDBM50049560 ((4S,5'R,13'R,17'S)-2-[(5R,13R,14R,17S)-14-amino-4-...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Binding affinity against Opioid receptor kappa 1 in Guinea pig brain membranes | J Med Chem 39: 1816-22 (1996) Article DOI: 10.1021/jm950807f BindingDB Entry DOI: 10.7270/Q20865Z8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50049560 ((4S,5'R,13'R,17'S)-2-[(5R,13R,14R,17S)-14-amino-4-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 187 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Binding affinity against Delta Opioid receptor in Guinea pig brain membranes | J Med Chem 39: 1816-22 (1996) Article DOI: 10.1021/jm950807f BindingDB Entry DOI: 10.7270/Q20865Z8 | |||||||||||
More data for this Ligand-Target Pair |