BDBM50007700 6-Bromo-3-methyl-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol; hydrobromide::CHEMBL554009

SMILES: CN1CCc2c(Br)c(O)c(O)cc2C(C1)c1ccccc1

InChI Key: InChIKey=DHKYCFXOSLNAFZ-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 = 50007700   

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 (Homo sapiens (Human))	BDBM50007700 (6-Bromo-3-methyl-1-phenyl-2,3,4,5-tetrahydro-1H-be...) Show SMILES CN1CCc2c(Br)c(O)c(O)cc2C(C1)c1ccccc1 Show InChI InChI=1S/C17H18BrNO2/c1-19-8-7-12-13(9-15(20)17(21)16(12)18)14(10-19)11-5-3-2-4-6-11/h2-6,9,14,20-21H,7-8,10H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description The compound was evaluated for the dissociation constant for inhibiting the binding of [3H]-SCH- 23390 at dopamine receptor D1				J Med Chem 34: 3366-71 (1992) BindingDB Entry DOI: 10.7270/Q26H4J17
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50007700 (6-Bromo-3-methyl-1-phenyl-2,3,4,5-tetrahydro-1H-be...) Show SMILES CN1CCc2c(Br)c(O)c(O)cc2C(C1)c1ccccc1 Show InChI InChI=1S/C17H18BrNO2/c1-19-8-7-12-13(9-15(20)17(21)16(12)18)14(10-19)11-5-3-2-4-6-11/h2-6,9,14,20-21H,7-8,10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description The compound was evaluated for the binding affinity towards dopamine receptor D2 at high affinity state.				J Med Chem 34: 3366-71 (1992) BindingDB Entry DOI: 10.7270/Q26H4J17
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50007700 (6-Bromo-3-methyl-1-phenyl-2,3,4,5-tetrahydro-1H-be...) Show SMILES CN1CCc2c(Br)c(O)c(O)cc2C(C1)c1ccccc1 Show InChI InChI=1S/C17H18BrNO2/c1-19-8-7-12-13(9-15(20)17(21)16(12)18)14(10-19)11-5-3-2-4-6-11/h2-6,9,14,20-21H,7-8,10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description The compound was evaluated for the binding affinity towards dopamine receptor D2 at low affinity state.				J Med Chem 34: 3366-71 (1992) BindingDB Entry DOI: 10.7270/Q26H4J17
					More data for this Ligand-Target Pair