BDBM50308922 CHEMBL589260::cis-(+/-)-2-(Cyclopropylmethyl)-4a-ethyl-1,2,3,4,4a,9a-hexahydrobenzofuro[2,3-c]pyridin-8-ol

SMILES: CC[C@@]12CCN(CC3CC3)C[C@@H]1Oc1c2cccc1O

InChI Key: InChIKey=UUUPIUUFWWDTDL-RDJZCZTQSA-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 = 50308922   

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))	BDBM50308922 (CHEMBL589260 | cis-(+/-)-2-(Cyclopropylmethyl)-4a-...) Show SMILES CC[C@@]12CCN(CC3CC3)C[C@@H]1Oc1c2cccc1O |r| Show InChI InChI=1S/C17H23NO2/c1-2-17-8-9-18(10-12-6-7-12)11-15(17)20-16-13(17)4-3-5-14(16)19/h3-5,12,15,19H,2,6-11H2,1H3/t15-,17-/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	4.67E+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]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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50308922 (CHEMBL589260 | cis-(+/-)-2-(Cyclopropylmethyl)-4a-...) Show SMILES CC[C@@]12CCN(CC3CC3)C[C@@H]1Oc1c2cccc1O |r| Show InChI InChI=1S/C17H23NO2/c1-2-17-8-9-18(10-12-6-7-12)11-15(17)20-16-13(17)4-3-5-14(16)19/h3-5,12,15,19H,2,6-11H2,1H3/t15-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.15E+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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50308922 (CHEMBL589260 | cis-(+/-)-2-(Cyclopropylmethyl)-4a-...) Show SMILES CC[C@@]12CCN(CC3CC3)C[C@@H]1Oc1c2cccc1O |r| Show InChI InChI=1S/C17H23NO2/c1-2-17-8-9-18(10-12-6-7-12)11-15(17)20-16-13(17)4-3-5-14(16)19/h3-5,12,15,19H,2,6-11H2,1H3/t15-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	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