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SMILES: C[C@H]1CN(Cc2ccccc2)CC[C@@]1(C)c1cccc(c1)C(N)=O

InChI Key: InChIKey=CGEOEOJHYVCVCC-HRAATJIYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50136601   

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))	BDBM50136601 (3-((3R,4R)-1-Benzyl-3,4-dimethyl-piperidin-4-yl)-b...) Show SMILES C[C@H]1CN(Cc2ccccc2)CC[C@@]1(C)c1cccc(c1)C(N)=O Show InChI InChI=1S/C21H26N2O/c1-16-14-23(15-17-7-4-3-5-8-17)12-11-21(16,2)19-10-6-9-18(13-19)20(22)24/h3-10,13,16H,11-12,14-15H2,1-2H3,(H2,22,24)/t16-,21+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Inhibition of binding of the non-selective opioid antagonist, [3H]diprenorphine, to cloned human mu opioid receptor				Bioorg Med Chem Lett 13: 4459-62 (2003) BindingDB Entry DOI: 10.7270/Q2RV0P7G
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50136601 (3-((3R,4R)-1-Benzyl-3,4-dimethyl-piperidin-4-yl)-b...) Show SMILES C[C@H]1CN(Cc2ccccc2)CC[C@@]1(C)c1cccc(c1)C(N)=O Show InChI InChI=1S/C21H26N2O/c1-16-14-23(15-17-7-4-3-5-8-17)12-11-21(16,2)19-10-6-9-18(13-19)20(22)24/h3-10,13,16H,11-12,14-15H2,1-2H3,(H2,22,24)/t16-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Binding affinity at cloned human kappa opioid receptor by [3H]diprenorphine displacement.				Bioorg Med Chem Lett 13: 4459-62 (2003) BindingDB Entry DOI: 10.7270/Q2RV0P7G
					More data for this Ligand-Target Pair