BDBM50195678 (1R,5R,13R,17S)-17-{[(2E)-3-(4-chlorophenyl)prop-2-en-1-yl]amino}-4-(cyclopropylmethyl)-10-hydroxy-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-one::CHEMBL385482
SMILES: Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC\C=C\c1ccc(Cl)cc1
InChI Key: InChIKey=SUEUOYXWDYAPQY-STNYYUMZSA-N
Data: 6 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)) | BDBM50195678 ((1R,5R,13R,17S)-17-{[(2E)-3-(4-chlorophenyl)prop-2...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bristol Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells by liquid scintillation counting | J Med Chem 52: 6926-30 (2009) Article DOI: 10.1021/jm901074a BindingDB Entry DOI: 10.7270/Q2GH9J1M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50195678 ((1R,5R,13R,17S)-17-{[(2E)-3-(4-chlorophenyl)prop-2...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bristol Curated by ChEMBL | Assay Description Displacement of [3H]diprenorphine from human mu opioid receptor expressed in C6 cells | J Med Chem 49: 6104-10 (2006) Article DOI: 10.1021/jm060595u BindingDB Entry DOI: 10.7270/Q24X58MF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50195678 ((1R,5R,13R,17S)-17-{[(2E)-3-(4-chlorophenyl)prop-2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bristol Curated by ChEMBL | Assay Description Displacement of [3H]diprenorphine from human recombinant delta opioid receptor expressed in C6 cells | J Med Chem 49: 6104-10 (2006) Article DOI: 10.1021/jm060595u BindingDB Entry DOI: 10.7270/Q24X58MF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50195678 ((1R,5R,13R,17S)-17-{[(2E)-3-(4-chlorophenyl)prop-2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bristol Curated by ChEMBL | Assay Description Displacement of [3H]DPDPE from human recombinant delta opioid receptor expressed in CHO cells by liquid scintillation counting | J Med Chem 52: 6926-30 (2009) Article DOI: 10.1021/jm901074a BindingDB Entry DOI: 10.7270/Q2GH9J1M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50195678 ((1R,5R,13R,17S)-17-{[(2E)-3-(4-chlorophenyl)prop-2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.910 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bristol Curated by ChEMBL | Assay Description Displacement of [3H]diprenorphine from human recombinant kappa opioid receptor expressed in C6 cells | J Med Chem 49: 6104-10 (2006) Article DOI: 10.1021/jm060595u BindingDB Entry DOI: 10.7270/Q24X58MF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50195678 ((1R,5R,13R,17S)-17-{[(2E)-3-(4-chlorophenyl)prop-2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.910 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bristol Curated by ChEMBL | Assay Description Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells by liquid scintillation counting | J Med Chem 52: 6926-30 (2009) Article DOI: 10.1021/jm901074a BindingDB Entry DOI: 10.7270/Q2GH9J1M | |||||||||||
More data for this Ligand-Target Pair |