BDBM81986 3-Methyl-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol; hydrochloride::CAS_173870::CHEMBL545000::NSC_173870::SKF 75670

SMILES: CN1CCc2cc(O)c(O)cc2C(C1)c1ccccc1

InChI Key: InChIKey=LIHCKGZEDBNUJG-UHFFFAOYSA-N

Data: 4 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 6 hits for monomerid = 81986   

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
Dopamine D1 receptor (Mus musculus (Mouse))	BDBM81986 (3-Methyl-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...) Show SMILES CN1CCc2cc(O)c(O)cc2C(C1)c1ccccc1 Show InChI InChI=1S/C17H19NO2/c1-18-8-7-13-9-16(19)17(20)10-14(13)15(11-18)12-5-3-2-4-6-12/h2-6,9-10,15,19-20H,7-8,11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NOVO Industri A/S Curated by PDSP Ki Database									Eur J Pharmacol 146: 113-20 (1988) Article DOI: 10.1016/0014-2999(88)90492-x BindingDB Entry DOI: 10.7270/Q21R6P1H
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM81986 (3-Methyl-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...) Show SMILES CN1CCc2cc(O)c(O)cc2C(C1)c1ccccc1 Show InChI InChI=1S/C17H19NO2/c1-18-8-7-13-9-16(19)17(20)10-14(13)15(11-18)12-5-3-2-4-6-12/h2-6,9-10,15,19-20H,7-8,11H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	8.80	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 (Mus musculus (Mouse))	BDBM81986 (3-Methyl-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...) Show SMILES CN1CCc2cc(O)c(O)cc2C(C1)c1ccccc1 Show InChI InChI=1S/C17H19NO2/c1-18-8-7-13-9-16(19)17(20)10-14(13)15(11-18)12-5-3-2-4-6-12/h2-6,9-10,15,19-20H,7-8,11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NOVO Industri A/S Curated by PDSP Ki Database									Eur J Pharmacol 146: 113-20 (1988) Article DOI: 10.1016/0014-2999(88)90492-x BindingDB Entry DOI: 10.7270/Q21R6P1H
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM81986 (3-Methyl-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...) Show SMILES CN1CCc2cc(O)c(O)cc2C(C1)c1ccccc1 Show InChI InChI=1S/C17H19NO2/c1-18-8-7-13-9-16(19)17(20)10-14(13)15(11-18)12-5-3-2-4-6-12/h2-6,9-10,15,19-20H,7-8,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90E+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 high 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 (Homo sapiens (Human))	BDBM81986 (3-Methyl-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...) Show SMILES CN1CCc2cc(O)c(O)cc2C(C1)c1ccccc1 Show InChI InChI=1S/C17H19NO2/c1-18-8-7-13-9-16(19)17(20)10-14(13)15(11-18)12-5-3-2-4-6-12/h2-6,9-10,15,19-20H,7-8,11H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Agonist activity at human dopamine D1 receptor expressed in CHOK1 cells assessed as assessed as increase in beta-arrestin-2 recruitment after 60 mins...				J Med Chem 61: 9841-9878 (2018) Article DOI: 10.1021/acs.jmedchem.8b00435
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM81986 (3-Methyl-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...) Show SMILES CN1CCc2cc(O)c(O)cc2C(C1)c1ccccc1 Show InChI InChI=1S/C17H19NO2/c1-18-8-7-13-9-16(19)17(20)10-14(13)15(11-18)12-5-3-2-4-6-12/h2-6,9-10,15,19-20H,7-8,11H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.450	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Agonist activity at human dopamine D1 receptor expressed in CHOK1 cells assessed as reversal of Ro 20-1724 mediated decrease in cAMP accumulation aft...				J Med Chem 61: 9841-9878 (2018) Article DOI: 10.1021/acs.jmedchem.8b00435
					More data for this Ligand-Target Pair