BDBM50195674 1N-[4-cyclopropylmethyl-10-methoxy-14-oxo-(17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-trien-17-yl]-3-(4-chlorophenyl)-(E)-2-propenamide(Methyoclocinnamox (MC-CAM))::CHEMBL386272::MC-CAM
SMILES: COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(Cl)cc1
InChI Key: InChIKey=LZSMGMMAKBCSRL-WDJVXPEUSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50195674 (1N-[4-cyclopropylmethyl-10-methoxy-14-oxo-(17S)-12...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.80 | 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 | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50195674 (1N-[4-cyclopropylmethyl-10-methoxy-14-oxo-(17S)-12...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.80 | 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]Cl-DPDPE from human recombinant DOR expressed in CHO cells | J Med Chem 49: 5333-8 (2006) Article DOI: 10.1021/jm0604777 BindingDB Entry DOI: 10.7270/Q2WH2QSM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50195674 (1N-[4-cyclopropylmethyl-10-methoxy-14-oxo-(17S)-12...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells | J Med Chem 52: 1553-7 (2009) Article DOI: 10.1021/jm8012272 BindingDB Entry DOI: 10.7270/Q2G44R6N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50195674 (1N-[4-cyclopropylmethyl-10-methoxy-14-oxo-(17S)-12...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bristol Curated by ChEMBL | Assay Description Stimulation of [35S]GTPgammaS binding to human recombinant MOR | J Med Chem 49: 5333-8 (2006) Article DOI: 10.1021/jm0604777 BindingDB Entry DOI: 10.7270/Q2WH2QSM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50195674 (1N-[4-cyclopropylmethyl-10-methoxy-14-oxo-(17S)-12...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.80 | 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 | 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 | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50195674 (1N-[4-cyclopropylmethyl-10-methoxy-14-oxo-(17S)-12...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.80 | 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 | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50195674 (1N-[4-cyclopropylmethyl-10-methoxy-14-oxo-(17S)-12...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath Curated by ChEMBL | Assay Description Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cells | J Med Chem 52: 1553-7 (2009) Article DOI: 10.1021/jm8012272 BindingDB Entry DOI: 10.7270/Q2G44R6N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50195674 (1N-[4-cyclopropylmethyl-10-methoxy-14-oxo-(17S)-12...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.80 | 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]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO 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)) | BDBM50195674 (1N-[4-cyclopropylmethyl-10-methoxy-14-oxo-(17S)-12...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 16 | 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]U-69593 from human recombinant KOR expressed in CHO cells | J Med Chem 49: 5333-8 (2006) Article DOI: 10.1021/jm0604777 BindingDB Entry DOI: 10.7270/Q2WH2QSM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50195674 (1N-[4-cyclopropylmethyl-10-methoxy-14-oxo-(17S)-12...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 16 | 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]U-69593 from human recombinant kappa opioid receptor expressed in CHO 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)) | BDBM50195674 (1N-[4-cyclopropylmethyl-10-methoxy-14-oxo-(17S)-12...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 16 | 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 | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50195674 (1N-[4-cyclopropylmethyl-10-methoxy-14-oxo-(17S)-12...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath Curated by ChEMBL | Assay Description Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells | J Med Chem 52: 1553-7 (2009) Article DOI: 10.1021/jm8012272 BindingDB Entry DOI: 10.7270/Q2G44R6N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50195674 (1N-[4-cyclopropylmethyl-10-methoxy-14-oxo-(17S)-12...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bristol Curated by ChEMBL | Assay Description Activity at human recombinant kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding | 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 | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50195674 (1N-[4-cyclopropylmethyl-10-methoxy-14-oxo-(17S)-12...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 18 | n/a | n/a | n/a | n/a |
University of Bath Curated by ChEMBL | Assay Description Agonist activity at human mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding | J Med Chem 52: 1553-7 (2009) Article DOI: 10.1021/jm8012272 BindingDB Entry DOI: 10.7270/Q2G44R6N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50195674 (1N-[4-cyclopropylmethyl-10-methoxy-14-oxo-(17S)-12...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bristol Curated by ChEMBL | Assay Description Activity at human recombinant delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding | 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 | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50195674 (1N-[4-cyclopropylmethyl-10-methoxy-14-oxo-(17S)-12...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.970 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bristol Curated by ChEMBL | Assay Description Activity at human recombinant mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding | 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 |