BDBM50240966 CHEMBL4069115

SMILES: Cl.Oc1ccc(CCN(CCc2cccc(O)c2)CC2CC2)cc1

InChI Key: InChIKey=SXBVBSJFXXBWOS-UHFFFAOYSA-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 = 50240966   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50240966 (CHEMBL4069115) Show SMILES Cl.Oc1ccc(CCN(CCc2cccc(O)c2)CC2CC2)cc1 Show InChI InChI=1S/C20H25NO2/c22-19-8-6-16(7-9-19)10-12-21(15-18-4-5-18)13-11-17-2-1-3-20(23)14-17/h1-3,6-9,14,18,22-23H,4-5,10-13,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting method				J Med Chem 60: 7579-7590 (2017) Article DOI: 10.1021/acs.jmedchem.7b00981 BindingDB Entry DOI: 10.7270/Q21C202C
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50240966 (CHEMBL4069115) Show SMILES Cl.Oc1ccc(CCN(CCc2cccc(O)c2)CC2CC2)cc1 Show InChI InChI=1S/C20H25NO2/c22-19-8-6-16(7-9-19)10-12-21(15-18-4-5-18)13-11-17-2-1-3-20(23)14-17/h1-3,6-9,14,18,22-23H,4-5,10-13,15H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting method				J Med Chem 60: 7579-7590 (2017) Article DOI: 10.1021/acs.jmedchem.7b00981 BindingDB Entry DOI: 10.7270/Q21C202C
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50240966 (CHEMBL4069115) Show SMILES Cl.Oc1ccc(CCN(CCc2cccc(O)c2)CC2CC2)cc1 Show InChI InChI=1S/C20H25NO2/c22-19-8-6-16(7-9-19)10-12-21(15-18-4-5-18)13-11-17-2-1-3-20(23)14-17/h1-3,6-9,14,18,22-23H,4-5,10-13,15H2	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
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting met...				J Med Chem 60: 7579-7590 (2017) Article DOI: 10.1021/acs.jmedchem.7b00981 BindingDB Entry DOI: 10.7270/Q21C202C
					More data for this Ligand-Target Pair