BDBM50240940 CHEMBL4084881

SMILES: Cl.Oc1cccc(CCN(CCc2ccccc2)C2CCC2)c1

InChI Key: InChIKey=VFNFLZKTWLKZCO-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 = 50240940   

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))	BDBM50240940 (CHEMBL4084881) Show SMILES Cl.Oc1cccc(CCN(CCc2ccccc2)C2CCC2)c1 Show InChI InChI=1S/C20H25NO/c22-20-11-4-8-18(16-20)13-15-21(19-9-5-10-19)14-12-17-6-2-1-3-7-17/h1-4,6-8,11,16,19,22H,5,9-10,12-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	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))	BDBM50240940 (CHEMBL4084881) Show SMILES Cl.Oc1cccc(CCN(CCc2ccccc2)C2CCC2)c1 Show InChI InChI=1S/C20H25NO/c22-20-11-4-8-18(16-20)13-15-21(19-9-5-10-19)14-12-17-6-2-1-3-7-17/h1-4,6-8,11,16,19,22H,5,9-10,12-15H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	670	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))	BDBM50240940 (CHEMBL4084881) Show SMILES Cl.Oc1cccc(CCN(CCc2ccccc2)C2CCC2)c1 Show InChI InChI=1S/C20H25NO/c22-20-11-4-8-18(16-20)13-15-21(19-9-5-10-19)14-12-17-6-2-1-3-7-17/h1-4,6-8,11,16,19,22H,5,9-10,12-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.54E+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))	BDBM50240940 (CHEMBL4084881) Show SMILES Cl.Oc1cccc(CCN(CCc2ccccc2)C2CCC2)c1 Show InChI InChI=1S/C20H25NO/c22-20-11-4-8-18(16-20)13-15-21(19-9-5-10-19)14-12-17-6-2-1-3-7-17/h1-4,6-8,11,16,19,22H,5,9-10,12-15H2	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	46	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