BDBM50240968 CHEMBL4093848

SMILES: Cl.Oc1ccc(CCN(CCc2cccc(O)c2F)CC2CCC2)cc1

InChI Key: InChIKey=XZAKPXBVBYAINZ-UHFFFAOYSA-N

Data: 3 KI  1 EC50

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 4 hits for monomerid = 50240968   

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))	BDBM50240968 (CHEMBL4093848) Show SMILES Cl.Oc1ccc(CCN(CCc2cccc(O)c2F)CC2CCC2)cc1 Show InChI InChI=1S/C21H26FNO2/c22-21-18(5-2-6-20(21)25)12-14-23(15-17-3-1-4-17)13-11-16-7-9-19(24)10-8-16/h2,5-10,17,24-25H,1,3-4,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	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))	BDBM50240968 (CHEMBL4093848) Show SMILES Cl.Oc1ccc(CCN(CCc2cccc(O)c2F)CC2CCC2)cc1 Show InChI InChI=1S/C21H26FNO2/c22-21-18(5-2-6-20(21)25)12-14-23(15-17-3-1-4-17)13-11-16-7-9-19(24)10-8-16/h2,5-10,17,24-25H,1,3-4,11-15H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	523	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))	BDBM50240968 (CHEMBL4093848) Show SMILES Cl.Oc1ccc(CCN(CCc2cccc(O)c2F)CC2CCC2)cc1 Show InChI InChI=1S/C21H26FNO2/c22-21-18(5-2-6-20(21)25)12-14-23(15-17-3-1-4-17)13-11-16-7-9-19(24)10-8-16/h2,5-10,17,24-25H,1,3-4,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.31E+3	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50240968 (CHEMBL4093848) Show SMILES Cl.Oc1ccc(CCN(CCc2cccc(O)c2F)CC2CCC2)cc1 Show InChI InChI=1S/C21H26FNO2/c22-21-18(5-2-6-20(21)25)12-14-23(15-17-3-1-4-17)13-11-16-7-9-19(24)10-8-16/h2,5-10,17,24-25H,1,3-4,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	37	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay				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