BDBM50072329 CHEMBL3409123

SMILES: [H][C@]12CN(CCc3ccccc3C(F)(F)F)CC[C@@]1(CCCCCc1ccccc1)c1cc(O)ccc1O2

InChI Key: InChIKey=JGYRRQGTAWMJLO-KYJUHHDHSA-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 = 50072329   

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))	BDBM50072329 (CHEMBL3409123) Show SMILES [H][C@]12CN(CCc3ccccc3C(F)(F)F)CC[C@@]1(CCCCCc1ccccc1)c1cc(O)ccc1O2 |r| Show InChI InChI=1S/C31H34F3NO2/c32-31(33,34)26-13-7-6-12-24(26)16-19-35-20-18-30(17-8-2-5-11-23-9-3-1-4-10-23)27-21-25(36)14-15-28(27)37-29(30)22-35/h1,3-4,6-7,9-10,12-15,21,29,36H,2,5,8,11,16-20,22H2/t29-,30-/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	159	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human recombinant opioid mu receptor expressed in CHO cell membranes after 2 hrs by liquid scintillation counting meth...				Eur J Med Chem 92: 531-9 (2015) Article DOI: 10.1016/j.ejmech.2015.01.025 BindingDB Entry DOI: 10.7270/Q2GF0W6W
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50072329 (CHEMBL3409123) Show SMILES [H][C@]12CN(CCc3ccccc3C(F)(F)F)CC[C@@]1(CCCCCc1ccccc1)c1cc(O)ccc1O2 |r| Show InChI InChI=1S/C31H34F3NO2/c32-31(33,34)26-13-7-6-12-24(26)16-19-35-20-18-30(17-8-2-5-11-23-9-3-1-4-10-23)27-21-25(36)14-15-28(27)37-29(30)22-35/h1,3-4,6-7,9-10,12-15,21,29,36H,2,5,8,11,16-20,22H2/t29-,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	719	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [3H]DADLE from human recombinant opioid delta receptor expressed in CHO cell membranes after 2 hrs by liquid scintillation counting m...				Eur J Med Chem 92: 531-9 (2015) Article DOI: 10.1016/j.ejmech.2015.01.025 BindingDB Entry DOI: 10.7270/Q2GF0W6W
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50072329 (CHEMBL3409123) Show SMILES [H][C@]12CN(CCc3ccccc3C(F)(F)F)CC[C@@]1(CCCCCc1ccccc1)c1cc(O)ccc1O2 |r| Show InChI InChI=1S/C31H34F3NO2/c32-31(33,34)26-13-7-6-12-24(26)16-19-35-20-18-30(17-8-2-5-11-23-9-3-1-4-10-23)27-21-25(36)14-15-28(27)37-29(30)22-35/h1,3-4,6-7,9-10,12-15,21,29,36H,2,5,8,11,16-20,22H2/t29-,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from human recombinant opioid kappa receptor expressed in CHO cell membranes after 2 hrs by liquid scintillation counting...				Eur J Med Chem 92: 531-9 (2015) Article DOI: 10.1016/j.ejmech.2015.01.025 BindingDB Entry DOI: 10.7270/Q2GF0W6W
					More data for this Ligand-Target Pair