BDBM50007139 1-Aminomethyl-3-(3-methoxy-phenyl)-isochroman-5,6-diol::CHEMBL315005

SMILES: COc1cccc(c1)C1Cc2c(O)c(O)ccc2[C@H](CN)O1

InChI Key: InChIKey=GKRQKKOXKDSLTJ-LYKKTTPLSA-N

Data: 2 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 4 hits for monomerid = 50007139   

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(1A) dopamine receptor (RAT)	BDBM50007139 (1-Aminomethyl-3-(3-methoxy-phenyl)-isochroman-5,6-...) Show SMILES COc1cccc(c1)C1Cc2c(O)c(O)ccc2[C@H](CN)O1 Show InChI InChI=1S/C17H19NO4/c1-21-11-4-2-3-10(7-11)15-8-13-12(16(9-18)22-15)5-6-14(19)17(13)20/h2-7,15-16,19-20H,8-9,18H2,1H3/t15?,16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity using [125 I] SCH 23982 radioligand competitive binding assay on dopamine receptor D1				J Med Chem 34: 2561-9 (1991) BindingDB Entry DOI: 10.7270/Q2HM57DN
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50007139 (1-Aminomethyl-3-(3-methoxy-phenyl)-isochroman-5,6-...) Show SMILES COc1cccc(c1)C1Cc2c(O)c(O)ccc2[C@H](CN)O1 Show InChI InChI=1S/C17H19NO4/c1-21-11-4-2-3-10(7-11)15-8-13-12(16(9-18)22-15)5-6-14(19)17(13)20/h2-7,15-16,19-20H,8-9,18H2,1H3/t15?,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	764	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity using [3H]-spiperone radioligand competitive binding assay against dopamine receptor D2				J Med Chem 34: 2561-9 (1991) BindingDB Entry DOI: 10.7270/Q2HM57DN
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50007139 (1-Aminomethyl-3-(3-methoxy-phenyl)-isochroman-5,6-...) Show SMILES COc1cccc(c1)C1Cc2c(O)c(O)ccc2[C@H](CN)O1 Show InChI InChI=1S/C17H19NO4/c1-21-11-4-2-3-10(7-11)15-8-13-12(16(9-18)22-15)5-6-14(19)17(13)20/h2-7,15-16,19-20H,8-9,18H2,1H3/t15?,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Concentration required to inhibit 50% dopamine receptor D2 in a cell free homogenate of intermediate lobe of pituitary gland				J Med Chem 34: 2561-9 (1991) BindingDB Entry DOI: 10.7270/Q2HM57DN
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50007139 (1-Aminomethyl-3-(3-methoxy-phenyl)-isochroman-5,6-...) Show SMILES COc1cccc(c1)C1Cc2c(O)c(O)ccc2[C@H](CN)O1 Show InChI InChI=1S/C17H19NO4/c1-21-11-4-2-3-10(7-11)15-8-13-12(16(9-18)22-15)5-6-14(19)17(13)20/h2-7,15-16,19-20H,8-9,18H2,1H3/t15?,16-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	6.40	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Concentration required to inhibit 50% dopamine receptor D1 activity using cell free homogenate of carp retina				J Med Chem 34: 2561-9 (1991) BindingDB Entry DOI: 10.7270/Q2HM57DN
					More data for this Ligand-Target Pair