BDBM50002310 3-[2-(Phenethyl-propyl-amino)-ethyl]-phenol; hydrobromide::CHEMBL1188090::CHEMBL545783

SMILES: CCCN(CCc1ccccc1)CCc1cccc(O)c1

InChI Key: InChIKey=QUZUPTMNMJTYGL-UHFFFAOYSA-N

Data: 6 KI  3 IC50  3 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 12 hits for monomerid = 50002310   

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))	BDBM50002310 (3-[2-(Phenethyl-propyl-amino)-ethyl]-phenol; hydro...) Show SMILES CCCN(CCc1ccccc1)CCc1cccc(O)c1 Show InChI InChI=1S/C19H25NO/c1-2-13-20(14-11-17-7-4-3-5-8-17)15-12-18-9-6-10-19(21)16-18/h3-10,16,21H,2,11-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.10	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 incubated for 60 mins by liquid scintillation counting				J Med Chem 55: 10302-6 (2012) Article DOI: 10.1021/jm301258w BindingDB Entry DOI: 10.7270/Q24X58ZX
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50002310 (3-[2-(Phenethyl-propyl-amino)-ethyl]-phenol; hydro...) Show SMILES CCCN(CCc1ccccc1)CCc1cccc(O)c1 Show InChI InChI=1S/C19H25NO/c1-2-13-20(14-11-17-7-4-3-5-8-17)15-12-18-9-6-10-19(21)16-18/h3-10,16,21H,2,11-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	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]YM-09151-2 from human dopamine D3 receptor expressed in CHOp cells				J Med Chem 55: 10302-6 (2012) Article DOI: 10.1021/jm301258w BindingDB Entry DOI: 10.7270/Q24X58ZX
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50002310 (3-[2-(Phenethyl-propyl-amino)-ethyl]-phenol; hydro...) Show SMILES CCCN(CCc1ccccc1)CCc1cccc(O)c1 Show InChI InChI=1S/C19H25NO/c1-2-13-20(14-11-17-7-4-3-5-8-17)15-12-18-9-6-10-19(21)16-18/h3-10,16,21H,2,11-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	64	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]YM-09151-2 from human dopamine D2 receptor expressed in CHOp cells				J Med Chem 55: 10302-6 (2012) Article DOI: 10.1021/jm301258w BindingDB Entry DOI: 10.7270/Q24X58ZX
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50002310 (3-[2-(Phenethyl-propyl-amino)-ethyl]-phenol; hydro...) Show SMILES CCCN(CCc1ccccc1)CCc1cccc(O)c1 Show InChI InChI=1S/C19H25NO/c1-2-13-20(14-11-17-7-4-3-5-8-17)15-12-18-9-6-10-19(21)16-18/h3-10,16,21H,2,11-15H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	594	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 incubated for 60 mins by liquid scintillation counting				J Med Chem 55: 10302-6 (2012) Article DOI: 10.1021/jm301258w BindingDB Entry DOI: 10.7270/Q24X58ZX
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50002310 (3-[2-(Phenethyl-propyl-amino)-ethyl]-phenol; hydro...) Show SMILES CCCN(CCc1ccccc1)CCc1cccc(O)c1 Show InChI InChI=1S/C19H25NO/c1-2-13-20(14-11-17-7-4-3-5-8-17)15-12-18-9-6-10-19(21)16-18/h3-10,16,21H,2,11-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.71E+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]pCl-DPDPE from human delta opioid receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting				J Med Chem 55: 10302-6 (2012) Article DOI: 10.1021/jm301258w BindingDB Entry DOI: 10.7270/Q24X58ZX
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50002310 (3-[2-(Phenethyl-propyl-amino)-ethyl]-phenol; hydro...) Show SMILES CCCN(CCc1ccccc1)CCc1cccc(O)c1 Show InChI InChI=1S/C19H25NO/c1-2-13-20(14-11-17-7-4-3-5-8-17)15-12-18-9-6-10-19(21)16-18/h3-10,16,21H,2,11-15H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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]SCH-23390 from human dopamine D1 receptor expressed in LHD1 cells				J Med Chem 55: 10302-6 (2012) Article DOI: 10.1021/jm301258w BindingDB Entry DOI: 10.7270/Q24X58ZX
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50002310 (3-[2-(Phenethyl-propyl-amino)-ethyl]-phenol; hydro...) Show SMILES CCCN(CCc1ccccc1)CCc1cccc(O)c1 Show InChI InChI=1S/C19H25NO/c1-2-13-20(14-11-17-7-4-3-5-8-17)15-12-18-9-6-10-19(21)16-18/h3-10,16,21H,2,11-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	49	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 incubated for 60 mins by [35S]GTPgammaS binding assay				J Med Chem 55: 10302-6 (2012) Article DOI: 10.1021/jm301258w BindingDB Entry DOI: 10.7270/Q24X58ZX
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50002310 (3-[2-(Phenethyl-propyl-amino)-ethyl]-phenol; hydro...) Show SMILES CCCN(CCc1ccccc1)CCc1cccc(O)c1 Show InChI InChI=1S/C19H25NO/c1-2-13-20(14-11-17-7-4-3-5-8-17)15-12-18-9-6-10-19(21)16-18/h3-10,16,21H,2,11-15H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]ethylketocyclazocine from kappa opioid receptor in guinea pig brain				J Med Chem 55: 10302-6 (2012) Article DOI: 10.1021/jm301258w BindingDB Entry DOI: 10.7270/Q24X58ZX
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50002310 (3-[2-(Phenethyl-propyl-amino)-ethyl]-phenol; hydro...) Show SMILES CCCN(CCc1ccccc1)CCc1cccc(O)c1 Show InChI InChI=1S/C19H25NO/c1-2-13-20(14-11-17-7-4-3-5-8-17)15-12-18-9-6-10-19(21)16-18/h3-10,16,21H,2,11-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Inhibitory activity against [3H]spiperone in Rat Striatal membrane				J Med Chem 35: 4408-14 (1992) BindingDB Entry DOI: 10.7270/Q2WH2QMC
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50002310 (3-[2-(Phenethyl-propyl-amino)-ethyl]-phenol; hydro...) Show SMILES CCCN(CCc1ccccc1)CCc1cccc(O)c1 Show InChI InChI=1S/C19H25NO/c1-2-13-20(14-11-17-7-4-3-5-8-17)15-12-18-9-6-10-19(21)16-18/h3-10,16,21H,2,11-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	39	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Agonist activity at human dopamine D2 receptor expressed in CHOp cells assessed as stimulation of mitogenesis incubated for 24 hrs by [3H]thymidine i...				J Med Chem 55: 10302-6 (2012) Article DOI: 10.1021/jm301258w BindingDB Entry DOI: 10.7270/Q24X58ZX
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50002310 (3-[2-(Phenethyl-propyl-amino)-ethyl]-phenol; hydro...) Show SMILES CCCN(CCc1ccccc1)CCc1cccc(O)c1 Show InChI InChI=1S/C19H25NO/c1-2-13-20(14-11-17-7-4-3-5-8-17)15-12-18-9-6-10-19(21)16-18/h3-10,16,21H,2,11-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.30	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Agonist activity at human dopamine D3 receptor expressed in CHOp cells assessed as stimulation of mitogenesis incubated for 24 hrs by [3H]thymidine i...				J Med Chem 55: 10302-6 (2012) Article DOI: 10.1021/jm301258w BindingDB Entry DOI: 10.7270/Q24X58ZX
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50002310 (3-[2-(Phenethyl-propyl-amino)-ethyl]-phenol; hydro...) Show SMILES CCCN(CCc1ccccc1)CCc1cccc(O)c1 Show InChI InChI=1S/C19H25NO/c1-2-13-20(14-11-17-7-4-3-5-8-17)15-12-18-9-6-10-19(21)16-18/h3-10,16,21H,2,11-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Inhibitory activity against [3H]-SCH- 23390 in Rat Striatal membrane				J Med Chem 35: 4408-14 (1992) BindingDB Entry DOI: 10.7270/Q2WH2QMC
					More data for this Ligand-Target Pair