BDBM50090489 4-(1,2,3,4-Tetrahydro-isoquinolin-1-ylmethyl)-benzene-1,2-diol::CHEMBL44877

SMILES: Oc1ccc(CC2NCCc3ccccc23)cc1O

InChI Key: InChIKey=VWTDJIDABVMGQN-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50090489   

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))	BDBM50090489 (4-(1,2,3,4-Tetrahydro-isoquinolin-1-ylmethyl)-benz...) Show SMILES Oc1ccc(CC2NCCc3ccccc23)cc1O Show InChI InChI=1S/C16H17NO2/c18-15-6-5-11(10-16(15)19)9-14-13-4-2-1-3-12(13)7-8-17-14/h1-6,10,14,17-19H,7-9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	8.79E+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 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
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50090489 (4-(1,2,3,4-Tetrahydro-isoquinolin-1-ylmethyl)-benz...) Show SMILES Oc1ccc(CC2NCCc3ccccc23)cc1O Show InChI InChI=1S/C16H17NO2/c18-15-6-5-11(10-16(15)19)9-14-13-4-2-1-3-12(13)7-8-17-14/h1-6,10,14,17-19H,7-9H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.15E+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
D(1A) dopamine receptor (RAT)	BDBM50090489 (4-(1,2,3,4-Tetrahydro-isoquinolin-1-ylmethyl)-benz...) Show SMILES Oc1ccc(CC2NCCc3ccccc23)cc1O Show InChI InChI=1S/C16H17NO2/c18-15-6-5-11(10-16(15)19)9-14-13-4-2-1-3-12(13)7-8-17-14/h1-6,10,14,17-19H,7-9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.75E+5	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