BDBM50090488 1-Benzyl-1,2,3,4-tetrahydro-isoquinoline-6,7-diol::CHEMBL298285

SMILES: Oc1cc2CCNC(Cc3ccccc3)c2cc1O

InChI Key: InChIKey=GGGSEBXTKMTNBW-UHFFFAOYSA-N

Data: 3 KI  2 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 5 hits for monomerid = 50090488   

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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50090488 (1-Benzyl-1,2,3,4-tetrahydro-isoquinoline-6,7-diol ...) Show SMILES Oc1cc2CCNC(Cc3ccccc3)c2cc1O Show InChI InChI=1S/C16H17NO2/c18-15-9-12-6-7-17-14(13(12)10-16(15)19)8-11-4-2-1-3-5-11/h1-5,9-10,14,17-19H,6-8H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tokyo Curated by ChEMBL					Assay Description The compound has been evaluated for its binding affinity towards Dopamine receptor D2 by displacing the radioligand [3H]-YM-09151-2 (0.5 nM) in rat s...				Bioorg Med Chem Lett 10: 1669-71 (2000) BindingDB Entry DOI: 10.7270/Q2M61JH0
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50090488 (1-Benzyl-1,2,3,4-tetrahydro-isoquinoline-6,7-diol ...) Show SMILES Oc1cc2CCNC(Cc3ccccc3)c2cc1O Show InChI InChI=1S/C16H17NO2/c18-15-9-12-6-7-17-14(13(12)10-16(15)19)8-11-4-2-1-3-5-11/h1-5,9-10,14,17-19H,6-8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	9.27E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tokyo Curated by ChEMBL					Assay Description The compound has been evaluated for its binding affinity towards Dopamine receptor D1 by displacing the radioligand [3H]-SCH-23,390 (1.5 nM) in rat s...				Bioorg Med Chem Lett 10: 1669-71 (2000) BindingDB Entry DOI: 10.7270/Q2M61JH0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50090488 (1-Benzyl-1,2,3,4-tetrahydro-isoquinoline-6,7-diol ...) Show SMILES Oc1cc2CCNC(Cc3ccccc3)c2cc1O Show InChI InChI=1S/C16H17NO2/c18-15-9-12-6-7-17-14(13(12)10-16(15)19)8-11-4-2-1-3-5-11/h1-5,9-10,14,17-19H,6-8H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.76E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tokyo Curated by ChEMBL					Assay Description The compound has been evaluated for its binding affinity towards Dopamine transporter by displacing the radioligand [3H]-GBR-12,935 (1.0 nM) in rat s...				Bioorg Med Chem Lett 10: 1669-71 (2000) BindingDB Entry DOI: 10.7270/Q2M61JH0
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM50090488 (1-Benzyl-1,2,3,4-tetrahydro-isoquinoline-6,7-diol ...) Show SMILES Oc1cc2CCNC(Cc3ccccc3)c2cc1O Show InChI InChI=1S/C16H17NO2/c18-15-9-12-6-7-17-14(13(12)10-16(15)19)8-11-4-2-1-3-5-11/h1-5,9-10,14,17-19H,6-8H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	800	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Agonist activity at beta2 adrenergic receptor in guinea pig tracheal smooth muscle assessed as inhibition of histamine-induced tracheal smooth muscle...				J Nat Prod 82: 2986-2993 (2019) Article DOI: 10.1021/acs.jnatprod.9b00418
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM50090488 (1-Benzyl-1,2,3,4-tetrahydro-isoquinoline-6,7-diol ...) Show SMILES Oc1cc2CCNC(Cc3ccccc3)c2cc1O Show InChI InChI=1S/C16H17NO2/c18-15-9-12-6-7-17-14(13(12)10-16(15)19)8-11-4-2-1-3-5-11/h1-5,9-10,14,17-19H,6-8H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	800	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Agonist activity at beta2 adrenergic receptor in guinea pig tracheal smooth muscle assessed as inhibition of histamine-induced tracheal smooth muscle...				J Nat Prod 82: 2986-2993 (2019) Article DOI: 10.1021/acs.jnatprod.9b00418
					More data for this Ligand-Target Pair