BindingDB PrimarySearch

BDBM50274531 6-Chloro-3-methyl-1-m-tolyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol; hydrobromide::6-chloro-3-methyl-1-m-tolyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol hydrobromide::CHEMBL520992::CHEMBL574558::SKF-83959

SMILES: CN1CCc2c(Cl)c(O)c(O)cc2C(C1)c1cccc(C)c1

InChI Key: InChIKey=JXMYTVOBSFOHAF-UHFFFAOYSA-N

Data: 10 KI 2 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50274531
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50274531 (6-Chloro-3-methyl-1-m-tolyl-2,3,4,5-tetrahydro-1H-...) Show SMILES CN1CCc2c(Cl)c(O)c(O)cc2C(C1)c1cccc(C)c1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Agonist activity at dopamine D1 receptor				Bioorg Med Chem 17: 4873-80 (2009) Article DOI: 10.1016/j.bmc.2009.06.019 BindingDB Entry DOI: 10.7270/Q22B8ZZV
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
D(1A) dopamine receptor (RAT)	BDBM50274531 (6-Chloro-3-methyl-1-m-tolyl-2,3,4,5-tetrahydro-1H-...) Show SMILES CN1CCc2c(Cl)c(O)c(O)cc2C(C1)c1cccc(C)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard University Curated by PDSP K_i Database									Eur J Pharmacol 474: 137-40 (2003) Article DOI: 10.1016/s0014-2999(03)02008-9 BindingDB Entry DOI: 10.7270/Q2DN43MQ
Harvard University Curated by PDSP K_i Database					More data for this Ligand-Target Pair				3D Structure (crystal)
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50274531 (6-Chloro-3-methyl-1-m-tolyl-2,3,4,5-tetrahydro-1H-...) Show SMILES CN1CCc2c(Cl)c(O)c(O)cc2C(C1)c1cccc(C)c1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 9425-31 (2008) Article DOI: 10.1016/j.bmc.2008.09.049 BindingDB Entry DOI: 10.7270/Q2RN37P0
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50274531 (6-Chloro-3-methyl-1-m-tolyl-2,3,4,5-tetrahydro-1H-...) Show SMILES CN1CCc2c(Cl)c(O)c(O)cc2C(C1)c1cccc(C)c1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from dopamine D1 receptor expressed in HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 4873-80 (2009) Article DOI: 10.1016/j.bmc.2009.06.019 BindingDB Entry DOI: 10.7270/Q22B8ZZV
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
D(1B) dopamine receptor (Homo sapiens (Human))	BDBM50274531 (6-Chloro-3-methyl-1-m-tolyl-2,3,4,5-tetrahydro-1H-...) Show SMILES CN1CCc2c(Cl)c(O)c(O)cc2C(C1)c1cccc(C)c1 Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	7.56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard University Curated by PDSP K_i Database									Eur J Pharmacol 474: 137-40 (2003) Article DOI: 10.1016/s0014-2999(03)02008-9 BindingDB Entry DOI: 10.7270/Q2DN43MQ
Harvard University Curated by PDSP K_i Database					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50274531 (6-Chloro-3-methyl-1-m-tolyl-2,3,4,5-tetrahydro-1H-...) Show SMILES CN1CCc2c(Cl)c(O)c(O)cc2C(C1)c1cccc(C)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	266	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard University Curated by PDSP K_i Database									Eur J Pharmacol 474: 137-40 (2003) Article DOI: 10.1016/s0014-2999(03)02008-9 BindingDB Entry DOI: 10.7270/Q2DN43MQ
Harvard University Curated by PDSP K_i Database					More data for this Ligand-Target Pair
adrenergic Alpha2 (RAT)	BDBM50274531 (6-Chloro-3-methyl-1-m-tolyl-2,3,4,5-tetrahydro-1H-...) Show SMILES CN1CCc2c(Cl)c(O)c(O)cc2C(C1)c1cccc(C)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	295	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard University Curated by PDSP K_i Database									Eur J Pharmacol 474: 137-40 (2003) Article DOI: 10.1016/s0014-2999(03)02008-9 BindingDB Entry DOI: 10.7270/Q2DN43MQ
Harvard University Curated by PDSP K_i Database					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50274531 (6-Chloro-3-methyl-1-m-tolyl-2,3,4,5-tetrahydro-1H-...) Show SMILES CN1CCc2c(Cl)c(O)c(O)cc2C(C1)c1cccc(C)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	399	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard University Curated by PDSP K_i Database									Eur J Pharmacol 474: 137-40 (2003) Article DOI: 10.1016/s0014-2999(03)02008-9 BindingDB Entry DOI: 10.7270/Q2DN43MQ
Harvard University Curated by PDSP K_i Database					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50274531 (6-Chloro-3-methyl-1-m-tolyl-2,3,4,5-tetrahydro-1H-...) Show SMILES CN1CCc2c(Cl)c(O)c(O)cc2C(C1)c1cccc(C)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard University Curated by PDSP K_i Database									Eur J Pharmacol 474: 137-40 (2003) Article DOI: 10.1016/s0014-2999(03)02008-9 BindingDB Entry DOI: 10.7270/Q2DN43MQ
Harvard University Curated by PDSP K_i Database					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50274531 (6-Chloro-3-methyl-1-m-tolyl-2,3,4,5-tetrahydro-1H-...) Show SMILES CN1CCc2c(Cl)c(O)c(O)cc2C(C1)c1cccc(C)c1 Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem 17: 4873-80 (2009) Article DOI: 10.1016/j.bmc.2009.06.019 BindingDB Entry DOI: 10.7270/Q22B8ZZV
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50274531 (6-Chloro-3-methyl-1-m-tolyl-2,3,4,5-tetrahydro-1H-...) Show SMILES CN1CCc2c(Cl)c(O)c(O)cc2C(C1)c1cccc(C)c1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.200	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
ShanghaiTech University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50274531 (6-Chloro-3-methyl-1-m-tolyl-2,3,4,5-tetrahydro-1H-...) Show SMILES CN1CCc2c(Cl)c(O)c(O)cc2C(C1)c1cccc(C)c1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB 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
ShanghaiTech University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)