BDBM50004921 (R)-3-Allyl-6-bromo-7,8-dihydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepinium::3-Allyl-6-bromo-7,8-dihydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepinium(R(+)6-Br-APB)::CHEMBL34095::R-(+)6-Br-APD3-Allyl-6-bromo-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol

SMILES: Oc1cc2[C@H](CN(CC=C)CCc2c(Br)c1O)c1ccccc1

InChI Key: InChIKey=KKZGFVAZUKHFAC-MRXNPFEDSA-N

Data: 2 KI  2 IC50  5 Kd

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 9 hits for monomerid = 50004921   

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))	BDBM50004921 ((R)-3-Allyl-6-bromo-7,8-dihydroxy-1-phenyl-2,3,4,5...) Show SMILES Oc1cc2[C@H](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/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas at Austin Curated by ChEMBL					Assay Description Affinity towards Dopamine receptor D1				J Med Chem 41: 4385-99 (1998) Article DOI: 10.1021/jm9800292 BindingDB Entry DOI: 10.7270/Q2R21227
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50004921 ((R)-3-Allyl-6-bromo-7,8-dihydroxy-1-phenyl-2,3,4,5...) Show SMILES Oc1cc2[C@H](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/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas at Austin Curated by ChEMBL					Assay Description Affinity towards Dopamine receptor D2				J Med Chem 41: 4385-99 (1998) Article DOI: 10.1021/jm9800292 BindingDB Entry DOI: 10.7270/Q2R21227
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50004921 ((R)-3-Allyl-6-bromo-7,8-dihydroxy-1-phenyl-2,3,4,5...) Show SMILES Oc1cc2[C@H](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/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a
University of Texas Curated by ChEMBL					Assay Description In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes.				J Med Chem 43: 3005-19 (2000) BindingDB Entry DOI: 10.7270/Q24J0FS2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50004921 ((R)-3-Allyl-6-bromo-7,8-dihydroxy-1-phenyl-2,3,4,5...) Show SMILES Oc1cc2[C@H](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/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a
University of Texas Curated by ChEMBL					Assay Description In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes.				J Med Chem 43: 3005-19 (2000) BindingDB Entry DOI: 10.7270/Q24J0FS2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50004921 ((R)-3-Allyl-6-bromo-7,8-dihydroxy-1-phenyl-2,3,4,5...) Show SMILES Oc1cc2[C@H](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/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	384	n/a	n/a	n/a	n/a	n/a
VA Medical Center Curated by ChEMBL					Assay Description Equilibrium dissociation constant against recombinant Dopamine receptor D1A expressed in COS7 cells				J Med Chem 39: 850-9 (1996) Article DOI: 10.1021/jm950447w BindingDB Entry DOI: 10.7270/Q2XG9RT3
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50004921 ((R)-3-Allyl-6-bromo-7,8-dihydroxy-1-phenyl-2,3,4,5...) Show SMILES Oc1cc2[C@H](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/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a
University of Texas Curated by ChEMBL					Assay Description In vitro affinity at wild type Dopamine receptor D2 on C6 (glioma) cell membranes.				J Med Chem 43: 3005-19 (2000) BindingDB Entry DOI: 10.7270/Q24J0FS2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50004921 ((R)-3-Allyl-6-bromo-7,8-dihydroxy-1-phenyl-2,3,4,5...) Show SMILES Oc1cc2[C@H](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/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	511	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
D(1A) dopamine receptor (RAT)	BDBM50004921 ((R)-3-Allyl-6-bromo-7,8-dihydroxy-1-phenyl-2,3,4,5...) Show SMILES Oc1cc2[C@H](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/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.30	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))	BDBM50004921 ((R)-3-Allyl-6-bromo-7,8-dihydroxy-1-phenyl-2,3,4,5...) Show SMILES Oc1cc2[C@H](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/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a
University of Texas Curated by ChEMBL					Assay Description In vitro affinity at mutant D2 receptor (S197A) in C6 (glioma) cell membranes.				J Med Chem 43: 3005-19 (2000) BindingDB Entry DOI: 10.7270/Q24J0FS2
					More data for this Ligand-Target Pair