BDBM50240958 CHEMBL4065350

SMILES: Cl.Oc1cccc(CCN(CCc2cccc(O)c2)CC2CCCCC2)c1

InChI Key: InChIKey=FINICKYVSVAWNA-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 = 50240958   

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))	BDBM50240958 (CHEMBL4065350) Show SMILES Cl.Oc1cccc(CCN(CCc2cccc(O)c2)CC2CCCCC2)c1 Show InChI InChI=1S/C23H31NO2/c25-22-10-4-8-19(16-22)12-14-24(18-21-6-2-1-3-7-21)15-13-20-9-5-11-23(26)17-20/h4-5,8-11,16-17,21,25-26H,1-3,6-7,12-15,18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.140	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))	BDBM50240958 (CHEMBL4065350) Show SMILES Cl.Oc1cccc(CCN(CCc2cccc(O)c2)CC2CCCCC2)c1 Show InChI InChI=1S/C23H31NO2/c25-22-10-4-8-19(16-22)12-14-24(18-21-6-2-1-3-7-21)15-13-20-9-5-11-23(26)17-20/h4-5,8-11,16-17,21,25-26H,1-3,6-7,12-15,18H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	167	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))	BDBM50240958 (CHEMBL4065350) Show SMILES Cl.Oc1cccc(CCN(CCc2cccc(O)c2)CC2CCCCC2)c1 Show InChI InChI=1S/C23H31NO2/c25-22-10-4-8-19(16-22)12-14-24(18-21-6-2-1-3-7-21)15-13-20-9-5-11-23(26)17-20/h4-5,8-11,16-17,21,25-26H,1-3,6-7,12-15,18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.43E+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 Binding affinity towards sigma opioid receptor in guinea pig cerebral homogenate using [3H]DTG as radioligand				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))	BDBM50240958 (CHEMBL4065350) Show SMILES Cl.Oc1cccc(CCN(CCc2cccc(O)c2)CC2CCCCC2)c1 Show InChI InChI=1S/C23H31NO2/c25-22-10-4-8-19(16-22)12-14-24(18-21-6-2-1-3-7-21)15-13-20-9-5-11-23(26)17-20/h4-5,8-11,16-17,21,25-26H,1-3,6-7,12-15,18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to rat striatal membrane dopamine transporter				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