BindingDB PrimarySearch

BDBM50004917 3-Allyl-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol; hydrobromide(Cl-APB)::CHEMBL35354::CHEMBL544115::RS(+/-)-6-Cl-APB3-Allyl-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol::SKF 82958

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

InChI Key: InChIKey=HJWHHQIVUHOBQN-UHFFFAOYSA-N

Data: 15 KI 2 IC50 2 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50004917
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 (RAT)	BDBM50004917 (3-Allyl-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-be...) Show SMILES Oc1cc2C(CN(CC=C)CCc2c(Cl)c1O)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.56	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
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50004917 (3-Allyl-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-be...) Show SMILES Oc1cc2C(CN(CC=C)CCc2c(Cl)c1O)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.5	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
Northeastern University Curated by ChEMBL					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50004917 (3-Allyl-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-be...) Show SMILES Oc1cc2C(CN(CC=C)CCc2c(Cl)c1O)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by PDSP K_i Database									NIDA Res Monogr 178: 440-66 (1998) BindingDB Entry DOI: 10.7270/Q23J3BH2
SRI International Curated by PDSP K_i Database					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50004917 (3-Allyl-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-be...) Show SMILES Oc1cc2C(CN(CC=C)CCc2c(Cl)c1O)c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	55	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
Northeastern University Curated by ChEMBL					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50004917 (3-Allyl-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-be...) Show SMILES Oc1cc2C(CN(CC=C)CCc2c(Cl)c1O)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by PDSP K_i Database									NIDA Res Monogr 178: 440-66 (1998) BindingDB Entry DOI: 10.7270/Q23J3BH2
SRI International Curated by PDSP K_i Database					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50004917 (3-Allyl-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-be...) Show SMILES Oc1cc2C(CN(CC=C)CCc2c(Cl)c1O)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	77.3	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 (Homo sapiens (Human))	BDBM50004917 (3-Allyl-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-be...) Show SMILES Oc1cc2C(CN(CC=C)CCc2c(Cl)c1O)c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	136	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by PDSP K_i Database									NIDA Res Monogr 178: 440-66 (1998) BindingDB Entry DOI: 10.7270/Q23J3BH2
SRI International Curated by PDSP K_i Database					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50004917 (3-Allyl-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-be...) Show SMILES Oc1cc2C(CN(CC=C)CCc2c(Cl)c1O)c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	264	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)	BDBM50004917 (3-Allyl-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-be...) Show SMILES Oc1cc2C(CN(CC=C)CCc2c(Cl)c1O)c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	558	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))	BDBM50004917 (3-Allyl-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-be...) Show SMILES Oc1cc2C(CN(CC=C)CCc2c(Cl)c1O)c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by PDSP K_i Database									NIDA Res Monogr 178: 440-66 (1998) BindingDB Entry DOI: 10.7270/Q23J3BH2
SRI International Curated by PDSP K_i Database					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50004917 (3-Allyl-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-be...) Show SMILES Oc1cc2C(CN(CC=C)CCc2c(Cl)c1O)c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.30E+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
Northeastern University Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50004917 (3-Allyl-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-be...) Show SMILES Oc1cc2C(CN(CC=C)CCc2c(Cl)c1O)c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.61E+3	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))	BDBM50004917 (3-Allyl-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-be...) Show SMILES Oc1cc2C(CN(CC=C)CCc2c(Cl)c1O)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by PDSP K_i Database									NIDA Res Monogr 178: 440-66 (1998) BindingDB Entry DOI: 10.7270/Q23J3BH2
SRI International Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C) (Rattus norvegicus (Rat))	BDBM50004917 (3-Allyl-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-be...) Show SMILES Oc1cc2C(CN(CC=C)CCc2c(Cl)c1O)c1ccccc1 Show InChI	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.63E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by PDSP K_i Database									NIDA Res Monogr 178: 440-66 (1998) BindingDB Entry DOI: 10.7270/Q23J3BH2
SRI International Curated by PDSP K_i Database					More data for this Ligand-Target Pair
5-HT3A Serotonin Receptor (Mus musculus (house mouse))	BDBM50004917 (3-Allyl-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-be...) Show SMILES Oc1cc2C(CN(CC=C)CCc2c(Cl)c1O)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by PDSP K_i Database									NIDA Res Monogr 178: 440-66 (1998) BindingDB Entry DOI: 10.7270/Q23J3BH2
SRI International Curated by PDSP K_i Database					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50004917 (3-Allyl-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-be...) Show SMILES Oc1cc2C(CN(CC=C)CCc2c(Cl)c1O)c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	336	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
Research Biochemicals Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50004917 (3-Allyl-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-be...) Show SMILES Oc1cc2C(CN(CC=C)CCc2c(Cl)c1O)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.730	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
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50004917 (3-Allyl-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-be...) Show SMILES Oc1cc2C(CN(CC=C)CCc2c(Cl)c1O)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2	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
D(1A) dopamine receptor (RAT)	BDBM50004917 (3-Allyl-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-be...) Show SMILES Oc1cc2C(CN(CC=C)CCc2c(Cl)c1O)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.10	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
Research Biochemicals Inc. Curated by ChEMBL					More data for this Ligand-Target Pair