BindingDB PrimarySearch

null

SMILES: Oc1cc2C(CNCCc2c(Cl)c1O)c1ccccc1

InChI Key: InChIKey=GHWJEDJMOVUXEC-UHFFFAOYSA-N

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 86282
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)	BDBM86282 (6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...) Show SMILES Oc1cc2C(CNCCc2c(Cl)c1O)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.90	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))	BDBM86282 (6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...) Show SMILES Oc1cc2C(CNCCc2c(Cl)c1O)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	7	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				3D Structure (crystal)
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM86282 (6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...) Show SMILES Oc1cc2C(CNCCc2c(Cl)c1O)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Displacement of [3H]-SCH23390 from wild type human D1R expressed in HEK293 cell membranes incubated for 90 mins by scintillation counting based compe...				ACS Med Chem Lett 10: 792-799 (2019) Article DOI: 10.1021/acsmedchemlett.9b00050 BindingDB Entry DOI: 10.7270/Q26W9FKV
University of Texas Medical Branch Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
D(2) dopamine receptor (Homo sapiens (Human))	BDBM86282 (6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...) Show SMILES Oc1cc2C(CNCCc2c(Cl)c1O)c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	310	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
Northeastern University Curated by ChEMBL					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (RAT)	BDBM86282 (6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...) Show SMILES Oc1cc2C(CNCCc2c(Cl)c1O)c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	509	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))	BDBM86282 (6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...) Show SMILES Oc1cc2C(CNCCc2c(Cl)c1O)c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	995	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))	BDBM86282 (6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...) Show SMILES Oc1cc2C(CNCCc2c(Cl)c1O)c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.27E+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))	BDBM86282 (6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...) Show SMILES Oc1cc2C(CNCCc2c(Cl)c1O)c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	8.00E+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
D(3) dopamine receptor (Homo sapiens (Human))	BDBM86282 (6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...) Show SMILES Oc1cc2C(CNCCc2c(Cl)c1O)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+4	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(1B) dopamine receptor (Homo sapiens (Human))	BDBM86282 (6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...) Show SMILES Oc1cc2C(CNCCc2c(Cl)c1O)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.40	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Agonist activity at D5R (unknown origin) expressed in HEK293 cells assessed as effect on cAMP accumulation incubated for 10 mins by Gs-cAMP Glosensor...				ACS Med Chem Lett 10: 792-799 (2019) Article DOI: 10.1021/acsmedchemlett.9b00050 BindingDB Entry DOI: 10.7270/Q26W9FKV
University of Texas Medical Branch Curated by ChEMBL					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM86282 (6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...) Show SMILES Oc1cc2C(CNCCc2c(Cl)c1O)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	360	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Agonist activity at wild type human D1R expressed in HEK293 cells assessed as effect on beta-arrestin2 recruitment by PRESTO-Tango beta-arrestin2 rec...				ACS Med Chem Lett 10: 792-799 (2019) Article DOI: 10.1021/acsmedchemlett.9b00050 BindingDB Entry DOI: 10.7270/Q26W9FKV
University of Texas Medical Branch Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM86282 (6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...) Show SMILES Oc1cc2C(CNCCc2c(Cl)c1O)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	9.50E+3	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Agonist activity at recombinant human D1 receptor expressed in CHOK1 cells assessed as induction of beta arrestin2 recruitment measured after 30 mins...				J Med Chem 62: 5132-5147 (2019) Article DOI: 10.1021/acs.jmedchem.9b00412 BindingDB Entry DOI: 10.7270/Q2Z03CM2
University of Pennsylvania Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Galanin receptor type 3 (Homo sapiens (Human))	BDBM86282 (6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...) Show SMILES Oc1cc2C(CNCCc2c(Cl)c1O)c1ccccc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	3.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q270802Q
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM86282 (6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...) Show SMILES Oc1cc2C(CNCCc2c(Cl)c1O)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	4.70	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Agonist activity at wild type human D1R expressed in HEK293 cells assessed as effect on cAMP accumulation incubated for 10 mins by Gs-cAMP Glosensor ...				ACS Med Chem Lett 10: 792-799 (2019) Article DOI: 10.1021/acsmedchemlett.9b00050 BindingDB Entry DOI: 10.7270/Q26W9FKV
University of Texas Medical Branch Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Trace amine-associated receptor 1 (Homo sapiens (Human))	BDBM86282 (6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...) Show SMILES Oc1cc2C(CNCCc2c(Cl)c1O)c1ccccc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.54E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q24748HT
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Homo sapiens (Human))	BDBM86282 (6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...) Show SMILES Oc1cc2C(CNCCc2c(Cl)c1O)c1ccccc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	>2.99E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q280517J
					More data for this Ligand-Target Pair
Guanine nucleotide-binding protein subunit alpha-15 (Homo sapiens (Human))	BDBM86282 (6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...) Show SMILES Oc1cc2C(CNCCc2c(Cl)c1O)c1ccccc1 Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	>2.99E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2CN72J7
					More data for this Ligand-Target Pair
Large T antigen (Simian virus 40)	BDBM86282 (6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...) Show SMILES Oc1cc2C(CNCCc2c(Cl)c1O)c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a
Southern Research Specialized Biocontainment Screening Center Curated by PubChem BioAssay					Assay Description Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2ZK5F47
					More data for this Ligand-Target Pair
Guanine nucleotide-binding protein subunit alpha-15 (Homo sapiens (Human))	BDBM86282 (6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...) Show SMILES Oc1cc2C(CNCCc2c(Cl)c1O)c1ccccc1 Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	>2.99E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2QZ28KG
					More data for this Ligand-Target Pair