BDBM50004922 3-Allyl-6-bromo-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol; hydrobromide(Br-APB)::CHEMBL32145::CHEMBL544114::RS-(+/-)-6-Br-APD3-Allyl-6-bromo-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol

SMILES: Oc1cc2C(CN(CC=C)CCc2c(Br)c1O)c1ccccc1

InChI Key: InChIKey=KKZGFVAZUKHFAC-UHFFFAOYSA-N

Data: 3 KI  2 IC50

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 = 50004922   

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))	BDBM50004922 (3-Allyl-6-bromo-1-phenyl-2,3,4,5-tetrahydro-1H-ben...) Show SMILES Oc1cc2C(CN(CC=C)CCc2c(Br)c1O)c1ccccc1 Show InChI InChI=1S/C19H20BrNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5	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))	BDBM50004922 (3-Allyl-6-bromo-1-phenyl-2,3,4,5-tetrahydro-1H-ben...) Show SMILES Oc1cc2C(CN(CC=C)CCc2c(Br)c1O)c1ccccc1 Show InChI InChI=1S/C19H20BrNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	19	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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50004922 (3-Allyl-6-bromo-1-phenyl-2,3,4,5-tetrahydro-1H-ben...) Show SMILES Oc1cc2C(CN(CC=C)CCc2c(Br)c1O)c1ccccc1 Show InChI InChI=1S/C19H20BrNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.10E+4	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
D(1A) dopamine receptor (RAT)	BDBM50004922 (3-Allyl-6-bromo-1-phenyl-2,3,4,5-tetrahydro-1H-ben...) Show SMILES Oc1cc2C(CN(CC=C)CCc2c(Br)c1O)c1ccccc1 Show InChI InChI=1S/C19H20BrNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Research Biochemicals Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-SCH- 23390 (0.3 nM) from dopamine receptor D1 in crude membrane fraction of rat brain corpus striatum				J Med Chem 35: 1466-71 (1992) BindingDB Entry DOI: 10.7270/Q26H4GCW
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50004922 (3-Allyl-6-bromo-1-phenyl-2,3,4,5-tetrahydro-1H-ben...) Show SMILES Oc1cc2C(CN(CC=C)CCc2c(Br)c1O)c1ccccc1 Show InChI InChI=1S/C19H20BrNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	701	n/a	n/a	n/a	n/a	n/a	n/a
Research Biochemicals Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-YM-09151-2 (60 pm) from dopamine receptor D2 in crude membrane fraction of rat brain corpus striatum				J Med Chem 35: 1466-71 (1992) BindingDB Entry DOI: 10.7270/Q26H4GCW
					More data for this Ligand-Target Pair