BDBM50072452 3-((4aS,10aS)-10a-Methyl-2-phenethyl-1,3,4,5,10,10a-hexahydro-2H-benzo[g]isoquinolin-4a-yl)-phenol::CHEMBL107398

SMILES: C[C@@]12CN(CCc3ccccc3)CC[C@@]1(Cc1ccccc1C2)c1cccc(O)c1

InChI Key: InChIKey=ITGNKLZJCRMFGA-VSGBNLITSA-N

Data: 6 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50072452   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50072452 (3-((4aS,10aS)-10a-Methyl-2-phenethyl-1,3,4,5,10,10...) Show SMILES C[C@@]12CN(CCc3ccccc3)CC[C@@]1(Cc1ccccc1C2)c1cccc(O)c1 Show InChI InChI=1S/C28H31NO/c1-27-19-23-10-5-6-11-24(23)20-28(27,25-12-7-13-26(30)18-25)15-17-29(21-27)16-14-22-8-3-2-4-9-22/h2-13,18,30H,14-17,19-21H2,1H3/t27-,28-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Compound was tested for the inhibition of [35S]-GTP-gammaS, binding Opioid receptor kappa 1				Bioorg Med Chem Lett 8: 3149-52 (1999) Article DOI: 10.1016/s0960-894x(98)00576-9 BindingDB Entry DOI: 10.7270/Q2S75FGQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50072452 (3-((4aS,10aS)-10a-Methyl-2-phenethyl-1,3,4,5,10,10...) Show SMILES C[C@@]12CN(CCc3ccccc3)CC[C@@]1(Cc1ccccc1C2)c1cccc(O)c1 Show InChI InChI=1S/C28H31NO/c1-27-19-23-10-5-6-11-24(23)20-28(27,25-12-7-13-26(30)18-25)15-17-29(21-27)16-14-22-8-3-2-4-9-22/h2-13,18,30H,14-17,19-21H2,1H3/t27-,28-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Compound was tested for the inhibition of [35S]-GTP-gammaS, binding to Opioid receptor kappa 1				Bioorg Med Chem Lett 8: 3149-52 (1999) Article DOI: 10.1016/s0960-894x(98)00576-9 BindingDB Entry DOI: 10.7270/Q2S75FGQ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50072452 (3-((4aS,10aS)-10a-Methyl-2-phenethyl-1,3,4,5,10,10...) Show SMILES C[C@@]12CN(CCc3ccccc3)CC[C@@]1(Cc1ccccc1C2)c1cccc(O)c1 Show InChI InChI=1S/C28H31NO/c1-27-19-23-10-5-6-11-24(23)20-28(27,25-12-7-13-26(30)18-25)15-17-29(21-27)16-14-22-8-3-2-4-9-22/h2-13,18,30H,14-17,19-21H2,1H3/t27-,28-/m1/s1	UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Compound was tested for the inhibition of [35S]-GTP-gammaS, binding in Guinea pig Caudate stimulated by the opioid receptor agonist Mu-DAMGO				Bioorg Med Chem Lett 8: 3149-52 (1999) Article DOI: 10.1016/s0960-894x(98)00576-9 BindingDB Entry DOI: 10.7270/Q2S75FGQ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50072452 (3-((4aS,10aS)-10a-Methyl-2-phenethyl-1,3,4,5,10,10...) Show SMILES C[C@@]12CN(CCc3ccccc3)CC[C@@]1(Cc1ccccc1C2)c1cccc(O)c1 Show InChI InChI=1S/C28H31NO/c1-27-19-23-10-5-6-11-24(23)20-28(27,25-12-7-13-26(30)18-25)15-17-29(21-27)16-14-22-8-3-2-4-9-22/h2-13,18,30H,14-17,19-21H2,1H3/t27-,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity was determined as ability to displace [3H]-DAMGO radioligand from Mu opioid receptor				Bioorg Med Chem Lett 8: 3149-52 (1999) Article DOI: 10.1016/s0960-894x(98)00576-9 BindingDB Entry DOI: 10.7270/Q2S75FGQ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50072452 (3-((4aS,10aS)-10a-Methyl-2-phenethyl-1,3,4,5,10,10...) Show SMILES C[C@@]12CN(CCc3ccccc3)CC[C@@]1(Cc1ccccc1C2)c1cccc(O)c1 Show InChI InChI=1S/C28H31NO/c1-27-19-23-10-5-6-11-24(23)20-28(27,25-12-7-13-26(30)18-25)15-17-29(21-27)16-14-22-8-3-2-4-9-22/h2-13,18,30H,14-17,19-21H2,1H3/t27-,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	184	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Compound was tested for the inhibition of [35S]-GTP-gammaS, binding in Guinea pig Caudate stimulated by the Opioid receptor delta 1 agonist Delta-SNC...				Bioorg Med Chem Lett 8: 3149-52 (1999) Article DOI: 10.1016/s0960-894x(98)00576-9 BindingDB Entry DOI: 10.7270/Q2S75FGQ
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50072452 (3-((4aS,10aS)-10a-Methyl-2-phenethyl-1,3,4,5,10,10...) Show SMILES C[C@@]12CN(CCc3ccccc3)CC[C@@]1(Cc1ccccc1C2)c1cccc(O)c1 Show InChI InChI=1S/C28H31NO/c1-27-19-23-10-5-6-11-24(23)20-28(27,25-12-7-13-26(30)18-25)15-17-29(21-27)16-14-22-8-3-2-4-9-22/h2-13,18,30H,14-17,19-21H2,1H3/t27-,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.27E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity was determined as ability to displace [3H]-DADLE radioligand from Opioid receptor delta 1				Bioorg Med Chem Lett 8: 3149-52 (1999) Article DOI: 10.1016/s0960-894x(98)00576-9 BindingDB Entry DOI: 10.7270/Q2S75FGQ
					More data for this Ligand-Target Pair