BDBM50308919 CHEMBL598977::cis-(+/-)-2-methyl-4a-phenethyl-1,2,3,4,4a,9a-hexahydrobenzofuro[2,3-c]pyridin-8-ol

SMILES: CN1CC[C@]2(CCc3ccccc3)[C@H](C1)Oc1c2cccc1O

InChI Key: InChIKey=CIESHICMRNAHPS-ICSRJNTNSA-N

Data: 3 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 3 hits for monomerid = 50308919   

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))	BDBM50308919 (CHEMBL598977 | cis-(+/-)-2-methyl-4a-phenethyl-1,2...) Show SMILES CN1CC[C@]2(CCc3ccccc3)[C@H](C1)Oc1c2cccc1O |r| Show InChI InChI=1S/C20H23NO2/c1-21-13-12-20(11-10-15-6-3-2-4-7-15)16-8-5-9-17(22)19(16)23-18(20)14-21/h2-9,18,22H,10-14H2,1H3/t18-,20-/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	740	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))	BDBM50308919 (CHEMBL598977 | cis-(+/-)-2-methyl-4a-phenethyl-1,2...) Show SMILES CN1CC[C@]2(CCc3ccccc3)[C@H](C1)Oc1c2cccc1O |r| Show InChI InChI=1S/C20H23NO2/c1-21-13-12-20(11-10-15-6-3-2-4-7-15)16-8-5-9-17(22)19(16)23-18(20)14-21/h2-9,18,22H,10-14H2,1H3/t18-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.88E+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]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))	BDBM50308919 (CHEMBL598977 | cis-(+/-)-2-methyl-4a-phenethyl-1,2...) Show SMILES CN1CC[C@]2(CCc3ccccc3)[C@H](C1)Oc1c2cccc1O |r| Show InChI InChI=1S/C20H23NO2/c1-21-13-12-20(11-10-15-6-3-2-4-7-15)16-8-5-9-17(22)19(16)23-18(20)14-21/h2-9,18,22H,10-14H2,1H3/t18-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.30E+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