null
SMILES: C[C@]1([C@H]2CN(CC3Cc4ccccc4C3)C[C@@H]12)c1cccc(NS(C)(=O)=O)c1
InChI Key: InChIKey=BEMUQWSSIWHWCT-JKHIJQBDSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50365853 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)) | BDBM50365853
(CHEMBL1957717)Show SMILES C[C@]1([C@H]2CN(CC3Cc4ccccc4C3)C[C@@H]12)c1cccc(NS(C)(=O)=O)c1 |r| Show InChI InChI=1S/C23H28N2O2S/c1-23(19-8-5-9-20(12-19)24-28(2,26)27)21-14-25(15-22(21)23)13-16-10-17-6-3-4-7-18(17)11-16/h3-9,12,16,21-22,24H,10-11,13-15H2,1-2H3/t21-,22+,23+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Antagonist activity at human mu opioid receptor by GTP-gamma S binding assay |
Bioorg Med Chem Lett 22: 2200-3 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.099 BindingDB Entry DOI: 10.7270/Q2M90958 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50365853
(CHEMBL1957717)Show SMILES C[C@]1([C@H]2CN(CC3Cc4ccccc4C3)C[C@@H]12)c1cccc(NS(C)(=O)=O)c1 |r| Show InChI InChI=1S/C23H28N2O2S/c1-23(19-8-5-9-20(12-19)24-28(2,26)27)21-14-25(15-22(21)23)13-16-10-17-6-3-4-7-18(17)11-16/h3-9,12,16,21-22,24H,10-11,13-15H2,1-2H3/t21-,22+,23+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.810 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]DAMGO from human mu opioid receptor |
Bioorg Med Chem Lett 22: 2200-3 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.099 BindingDB Entry DOI: 10.7270/Q2M90958 |
More data for this Ligand-Target Pair | |