BDBM50240970 CHEMBL4092640

SMILES: Cl.Oc1cccc(CCN(CCc2ccccc2)CC2CCCCC2)c1

InChI Key: InChIKey=VSXUTXKYNLMLGP-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 = 50240970   

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))	BDBM50240970 (CHEMBL4092640) Show SMILES Cl.Oc1cccc(CCN(CCc2ccccc2)CC2CCCCC2)c1 Show InChI InChI=1S/C23H31NO/c25-23-13-7-12-21(18-23)15-17-24(19-22-10-5-2-6-11-22)16-14-20-8-3-1-4-9-20/h1,3-4,7-9,12-13,18,22,25H,2,5-6,10-11,14-17,19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0610	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))	BDBM50240970 (CHEMBL4092640) Show SMILES Cl.Oc1cccc(CCN(CCc2ccccc2)CC2CCCCC2)c1 Show InChI InChI=1S/C23H31NO/c25-23-13-7-12-21(18-23)15-17-24(19-22-10-5-2-6-11-22)16-14-20-8-3-1-4-9-20/h1,3-4,7-9,12-13,18,22,25H,2,5-6,10-11,14-17,19H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	537	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))	BDBM50240970 (CHEMBL4092640) Show SMILES Cl.Oc1cccc(CCN(CCc2ccccc2)CC2CCCCC2)c1 Show InChI InChI=1S/C23H31NO/c25-23-13-7-12-21(18-23)15-17-24(19-22-10-5-2-6-11-22)16-14-20-8-3-1-4-9-20/h1,3-4,7-9,12-13,18,22,25H,2,5-6,10-11,14-17,19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.14E+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))	BDBM50240970 (CHEMBL4092640) Show SMILES Cl.Oc1cccc(CCN(CCc2ccccc2)CC2CCCCC2)c1 Show InChI InChI=1S/C23H31NO/c25-23-13-7-12-21(18-23)15-17-24(19-22-10-5-2-6-11-22)16-14-20-8-3-1-4-9-20/h1,3-4,7-9,12-13,18,22,25H,2,5-6,10-11,14-17,19H2	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	0.230	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