null

SMILES: CC[C@@]12CCN(CCc3ccc(cc3)[N+]([O-])=O)C[C@@H]1Oc1c2cccc1O

InChI Key: InChIKey=KYYKQUNJBFUAAR-FPOVZHCZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50308916   

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))	BDBM50308916 (CHEMBL592300 | cis-(+/-)-4a-Ethyl-2-(4-nitrophenet...) Show SMILES CC[C@@]12CCN(CCc3ccc(cc3)[N+]([O-])=O)C[C@@H]1Oc1c2cccc1O |r| Show InChI InChI=1S/C21H24N2O4/c1-2-21-11-13-22(12-10-15-6-8-16(9-7-15)23(25)26)14-19(21)27-20-17(21)4-3-5-18(20)24/h3-9,19,24H,2,10-14H2,1H3/t19-,21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDA Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor expressed in CHO cells				Bioorg Med Chem 18: 91-9 (2010) Article DOI: 10.1016/j.bmc.2009.11.022 BindingDB Entry DOI: 10.7270/Q21836KX
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50308916 (CHEMBL592300 | cis-(+/-)-4a-Ethyl-2-(4-nitrophenet...) Show SMILES CC[C@@]12CCN(CCc3ccc(cc3)[N+]([O-])=O)C[C@@H]1Oc1c2cccc1O |r| Show InChI InChI=1S/C21H24N2O4/c1-2-21-11-13-22(12-10-15-6-8-16(9-7-15)23(25)26)14-19(21)27-20-17(21)4-3-5-18(20)24/h3-9,19,24H,2,10-14H2,1H3/t19-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDA Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor expressed in CHO cells				Bioorg Med Chem 18: 91-9 (2010) Article DOI: 10.1016/j.bmc.2009.11.022 BindingDB Entry DOI: 10.7270/Q21836KX
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50308916 (CHEMBL592300 | cis-(+/-)-4a-Ethyl-2-(4-nitrophenet...) Show SMILES CC[C@@]12CCN(CCc3ccc(cc3)[N+]([O-])=O)C[C@@H]1Oc1c2cccc1O |r| Show InChI InChI=1S/C21H24N2O4/c1-2-21-11-13-22(12-10-15-6-8-16(9-7-15)23(25)26)14-19(21)27-20-17(21)4-3-5-18(20)24/h3-9,19,24H,2,10-14H2,1H3/t19-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDA Curated by ChEMBL					Assay Description Displacement of [3H]DADLE from delta opioid receptor expressed in CHO cells				Bioorg Med Chem 18: 91-9 (2010) Article DOI: 10.1016/j.bmc.2009.11.022 BindingDB Entry DOI: 10.7270/Q21836KX
					More data for this Ligand-Target Pair