BDBM50008824 1-Aminomethyl-6-bromo-3-phenyl-isochroman-5-ol; hydrochloride::CHEMBL543390

SMILES: NC[C@@H]1O[C@@H](Cc2c(O)c(Br)ccc12)c1ccccc1

InChI Key: InChIKey=SIPQEKQXLUBVAY-GJZGRUSLSA-N

Data: 10 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 10 hits for monomerid = 50008824   

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)	BDBM50008824 (1-Aminomethyl-6-bromo-3-phenyl-isochroman-5-ol; hy...) Show SMILES NC[C@@H]1O[C@@H](Cc2c(O)c(Br)ccc12)c1ccccc1 Show InChI InChI=1S/C16H16BrNO2/c17-13-7-6-11-12(16(13)19)8-14(20-15(11)9-18)10-4-2-1-3-5-10/h1-7,14-15,19H,8-9,18H2/t14-,15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.10	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 for dopamine receptor D1				J Med Chem 34: 2946-53 (1991) BindingDB Entry DOI: 10.7270/Q2H132MN
					More data for this Ligand-Target Pair
Dopamine D1 receptor (Carassius auratus)	BDBM50008824 (1-Aminomethyl-6-bromo-3-phenyl-isochroman-5-ol; hy...) Show SMILES NC[C@@H]1O[C@@H](Cc2c(O)c(Br)ccc12)c1ccccc1 Show InChI InChI=1S/C16H16BrNO2/c17-13-7-6-11-12(16(13)19)8-14(20-15(11)9-18)10-4-2-1-3-5-10/h1-7,14-15,19H,8-9,18H2/t14-,15-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of dopamine stimulated adenylate cyclase				J Med Chem 34: 2946-53 (1991) BindingDB Entry DOI: 10.7270/Q2H132MN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50008824 (1-Aminomethyl-6-bromo-3-phenyl-isochroman-5-ol; hy...) Show SMILES NC[C@@H]1O[C@@H](Cc2c(O)c(Br)ccc12)c1ccccc1 Show InChI InChI=1S/C16H16BrNO2/c17-13-7-6-11-12(16(13)19)8-14(20-15(11)9-18)10-4-2-1-3-5-10/h1-7,14-15,19H,8-9,18H2/t14-,15-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Compound was tested in vitro for binding affinity for 5-hydroxytryptamine 1C receptor				J Med Chem 34: 2946-53 (1991) BindingDB Entry DOI: 10.7270/Q2H132MN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50008824 (1-Aminomethyl-6-bromo-3-phenyl-isochroman-5-ol; hy...) Show SMILES NC[C@@H]1O[C@@H](Cc2c(O)c(Br)ccc12)c1ccccc1 Show InChI InChI=1S/C16H16BrNO2/c17-13-7-6-11-12(16(13)19)8-14(20-15(11)9-18)10-4-2-1-3-5-10/h1-7,14-15,19H,8-9,18H2/t14-,15-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	312	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Compound was tested in vitro for binding affinity for 5-hydroxytryptamine 1A receptor				J Med Chem 34: 2946-53 (1991) BindingDB Entry DOI: 10.7270/Q2H132MN
					More data for this Ligand-Target Pair
Adrenergic receptor alpha-2 (Homo sapiens (Human))	BDBM50008824 (1-Aminomethyl-6-bromo-3-phenyl-isochroman-5-ol; hy...) Show SMILES NC[C@@H]1O[C@@H](Cc2c(O)c(Br)ccc12)c1ccccc1 Show InChI InChI=1S/C16H16BrNO2/c17-13-7-6-11-12(16(13)19)8-14(20-15(11)9-18)10-4-2-1-3-5-10/h1-7,14-15,19H,8-9,18H2/t14-,15-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Compound was tested in vitro for binding affinity for alpha-2 adrenergic receptor				J Med Chem 34: 2946-53 (1991) BindingDB Entry DOI: 10.7270/Q2H132MN
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50008824 (1-Aminomethyl-6-bromo-3-phenyl-isochroman-5-ol; hy...) Show SMILES NC[C@@H]1O[C@@H](Cc2c(O)c(Br)ccc12)c1ccccc1 Show InChI InChI=1S/C16H16BrNO2/c17-13-7-6-11-12(16(13)19)8-14(20-15(11)9-18)10-4-2-1-3-5-10/h1-7,14-15,19H,8-9,18H2/t14-,15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	569	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 for dopamine receptor D2				J Med Chem 34: 2946-53 (1991) BindingDB Entry DOI: 10.7270/Q2H132MN
					More data for this Ligand-Target Pair
Adrenergic receptor alpha-1 (Homo sapiens (Human))	BDBM50008824 (1-Aminomethyl-6-bromo-3-phenyl-isochroman-5-ol; hy...) Show SMILES NC[C@@H]1O[C@@H](Cc2c(O)c(Br)ccc12)c1ccccc1 Show InChI InChI=1S/C16H16BrNO2/c17-13-7-6-11-12(16(13)19)8-14(20-15(11)9-18)10-4-2-1-3-5-10/h1-7,14-15,19H,8-9,18H2/t14-,15-/m0/s1	MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.82E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Compound was tested in vitro for binding affinity for alpha-1 adrenergic receptor				J Med Chem 34: 2946-53 (1991) BindingDB Entry DOI: 10.7270/Q2H132MN
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50008824 (1-Aminomethyl-6-bromo-3-phenyl-isochroman-5-ol; hy...) Show SMILES NC[C@@H]1O[C@@H](Cc2c(O)c(Br)ccc12)c1ccccc1 Show InChI InChI=1S/C16H16BrNO2/c17-13-7-6-11-12(16(13)19)8-14(20-15(11)9-18)10-4-2-1-3-5-10/h1-7,14-15,19H,8-9,18H2/t14-,15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Compound was tested in vitro for binding affinity for 5-hydroxytryptamine 2 receptor				J Med Chem 34: 2946-53 (1991) BindingDB Entry DOI: 10.7270/Q2H132MN
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Canis familiaris)	BDBM50008824 (1-Aminomethyl-6-bromo-3-phenyl-isochroman-5-ol; hy...) Show SMILES NC[C@@H]1O[C@@H](Cc2c(O)c(Br)ccc12)c1ccccc1 Show InChI InChI=1S/C16H16BrNO2/c17-13-7-6-11-12(16(13)19)8-14(20-15(11)9-18)10-4-2-1-3-5-10/h1-7,14-15,19H,8-9,18H2/t14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.84E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Compound was tested in vitro for binding affinity for beta receptor				J Med Chem 34: 2946-53 (1991) BindingDB Entry DOI: 10.7270/Q2H132MN
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50008824 (1-Aminomethyl-6-bromo-3-phenyl-isochroman-5-ol; hy...) Show SMILES NC[C@@H]1O[C@@H](Cc2c(O)c(Br)ccc12)c1ccccc1 Show InChI InChI=1S/C16H16BrNO2/c17-13-7-6-11-12(16(13)19)8-14(20-15(11)9-18)10-4-2-1-3-5-10/h1-7,14-15,19H,8-9,18H2/t14-,15-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity for dopamine uptake site				J Med Chem 34: 2946-53 (1991) BindingDB Entry DOI: 10.7270/Q2H132MN
					More data for this Ligand-Target Pair