BDBM50021895 4-(3,4-Dichloro-phenyl)-7-methoxy-2-methyl-1,2,3,4-tetrahydro-isoquinoline::4-(3,4-Dichloro-phenyl)-7-methoxy-2-methyl-1,2,3,4-tetrahydro-isoquinoline(Diclofensive)::CHEMBL287257::DICLOFENSINE,(+)::DICLOFENSINE,(-)::Diclofensine

SMILES: COc1ccc2C(CN(C)Cc2c1)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=ZJDCGVDEEHWEIG-UHFFFAOYSA-N

Data: 22 KI

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 22 hits for monomerid = 50021895   

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
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50021895 (4-(3,4-Dichloro-phenyl)-7-methoxy-2-methyl-1,2,3,4...) Show SMILES COc1ccc2C(CN(C)Cc2c1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H17Cl2NO/c1-20-9-12-7-13(21-2)4-5-14(12)15(10-20)11-3-6-16(18)17(19)8-11/h3-8,15H,9-10H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	0.740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck AIS Curated by PDSP Ki Database									J Neurochem 44: 1615-22 (1985) Article DOI: 10.1111/j.1471-4159.1985.tb08803.x BindingDB Entry DOI: 10.7270/Q27H1H2F
					More data for this Ligand-Target Pair
Norepinephrine transporter (RAT)	BDBM50021895 (4-(3,4-Dichloro-phenyl)-7-methoxy-2-methyl-1,2,3,4...) Show SMILES COc1ccc2C(CN(C)Cc2c1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H17Cl2NO/c1-20-9-12-7-13(21-2)4-5-14(12)15(10-20)11-3-6-16(18)17(19)8-11/h3-8,15H,9-10H2,1-2H3	GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck AIS Curated by PDSP Ki Database									J Neurochem 44: 1615-22 (1985) Article DOI: 10.1111/j.1471-4159.1985.tb08803.x BindingDB Entry DOI: 10.7270/Q27H1H2F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50021895 (4-(3,4-Dichloro-phenyl)-7-methoxy-2-methyl-1,2,3,4...) Show SMILES COc1ccc2C(CN(C)Cc2c1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H17Cl2NO/c1-20-9-12-7-13(21-2)4-5-14(12)15(10-20)11-3-6-16(18)17(19)8-11/h3-8,15H,9-10H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck AIS Curated by PDSP Ki Database									J Neurochem 44: 1615-22 (1985) Article DOI: 10.1111/j.1471-4159.1985.tb08803.x BindingDB Entry DOI: 10.7270/Q27H1H2F
					More data for this Ligand-Target Pair
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50021895 (4-(3,4-Dichloro-phenyl)-7-methoxy-2-methyl-1,2,3,4...) Show SMILES COc1ccc2C(CN(C)Cc2c1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H17Cl2NO/c1-20-9-12-7-13(21-2)4-5-14(12)15(10-20)11-3-6-16(18)17(19)8-11/h3-8,15H,9-10H2,1-2H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of norepinephrine (NE) into rat brain synaptosomes				J Med Chem 27: 943-6 (1984) BindingDB Entry DOI: 10.7270/Q2VT1SPH
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50021895 (4-(3,4-Dichloro-phenyl)-7-methoxy-2-methyl-1,2,3,4...) Show SMILES COc1ccc2C(CN(C)Cc2c1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H17Cl2NO/c1-20-9-12-7-13(21-2)4-5-14(12)15(10-20)11-3-6-16(18)17(19)8-11/h3-8,15H,9-10H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP Ki Database									Mol Pharmacol 45: 125-35 (1994) BindingDB Entry DOI: 10.7270/Q2NG4P5C
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50021895 (4-(3,4-Dichloro-phenyl)-7-methoxy-2-methyl-1,2,3,4...) Show SMILES COc1ccc2C(CN(C)Cc2c1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H17Cl2NO/c1-20-9-12-7-13(21-2)4-5-14(12)15(10-20)11-3-6-16(18)17(19)8-11/h3-8,15H,9-10H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Binding affinity to dopamine transporter (DAT) using [3H]WIN-35428 as a radioligand				J Med Chem 43: 4151-9 (2000) Article DOI: 10.1021/jm990472s BindingDB Entry DOI: 10.7270/Q2PK0JWZ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50021895 (4-(3,4-Dichloro-phenyl)-7-methoxy-2-methyl-1,2,3,4...) Show SMILES COc1ccc2C(CN(C)Cc2c1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H17Cl2NO/c1-20-9-12-7-13(21-2)4-5-14(12)15(10-20)11-3-6-16(18)17(19)8-11/h3-8,15H,9-10H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP Ki Database									Mol Pharmacol 45: 125-35 (1994) BindingDB Entry DOI: 10.7270/Q2NG4P5C
					More data for this Ligand-Target Pair
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50021895 (4-(3,4-Dichloro-phenyl)-7-methoxy-2-methyl-1,2,3,4...) Show SMILES COc1ccc2C(CN(C)Cc2c1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H17Cl2NO/c1-20-9-12-7-13(21-2)4-5-14(12)15(10-20)11-3-6-16(18)17(19)8-11/h3-8,15H,9-10H2,1-2H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes				J Med Chem 30: 1433-54 (1987) BindingDB Entry DOI: 10.7270/Q2D50NJ3
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50021895 (4-(3,4-Dichloro-phenyl)-7-methoxy-2-methyl-1,2,3,4...) Show SMILES COc1ccc2C(CN(C)Cc2c1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H17Cl2NO/c1-20-9-12-7-13(21-2)4-5-14(12)15(10-20)11-3-6-16(18)17(19)8-11/h3-8,15H,9-10H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition the uptake of tritiated serotonin (5-HT) by the serotonin transporter SERT in rat synaptosomes				J Med Chem 30: 1433-54 (1987) BindingDB Entry DOI: 10.7270/Q2D50NJ3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50021895 (4-(3,4-Dichloro-phenyl)-7-methoxy-2-methyl-1,2,3,4...) Show SMILES COc1ccc2C(CN(C)Cc2c1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H17Cl2NO/c1-20-9-12-7-13(21-2)4-5-14(12)15(10-20)11-3-6-16(18)17(19)8-11/h3-8,15H,9-10H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of the uptake of tritiated dopamine (DA) in rat synaptosomes				J Med Chem 30: 1433-54 (1987) BindingDB Entry DOI: 10.7270/Q2D50NJ3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50021895 (4-(3,4-Dichloro-phenyl)-7-methoxy-2-methyl-1,2,3,4...) Show SMILES COc1ccc2C(CN(C)Cc2c1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H17Cl2NO/c1-20-9-12-7-13(21-2)4-5-14(12)15(10-20)11-3-6-16(18)17(19)8-11/h3-8,15H,9-10H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of dopamine (DA) uptake into rat brain synaptosomes				J Med Chem 27: 943-6 (1984) BindingDB Entry DOI: 10.7270/Q2VT1SPH
					More data for this Ligand-Target Pair
Norepinephrine transporter (RAT)	BDBM50021895 (4-(3,4-Dichloro-phenyl)-7-methoxy-2-methyl-1,2,3,4...) Show SMILES COc1ccc2C(CN(C)Cc2c1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H17Cl2NO/c1-20-9-12-7-13(21-2)4-5-14(12)15(10-20)11-3-6-16(18)17(19)8-11/h3-8,15H,9-10H2,1-2H3	GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	15.7	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 166: 493-504 (1989) Article DOI: 10.1016/0014-2999(89)90363-4 BindingDB Entry DOI: 10.7270/Q28C9TR3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50021895 (4-(3,4-Dichloro-phenyl)-7-methoxy-2-methyl-1,2,3,4...) Show SMILES COc1ccc2C(CN(C)Cc2c1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H17Cl2NO/c1-20-9-12-7-13(21-2)4-5-14(12)15(10-20)11-3-6-16(18)17(19)8-11/h3-8,15H,9-10H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	16.8	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 166: 493-504 (1989) Article DOI: 10.1016/0014-2999(89)90363-4 BindingDB Entry DOI: 10.7270/Q28C9TR3
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50021895 (4-(3,4-Dichloro-phenyl)-7-methoxy-2-methyl-1,2,3,4...) Show SMILES COc1ccc2C(CN(C)Cc2c1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H17Cl2NO/c1-20-9-12-7-13(21-2)4-5-14(12)15(10-20)11-3-6-16(18)17(19)8-11/h3-8,15H,9-10H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of serotonin (5-HT) uptake into rat brain synaptosomes				J Med Chem 27: 943-6 (1984) BindingDB Entry DOI: 10.7270/Q2VT1SPH
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50021895 (4-(3,4-Dichloro-phenyl)-7-methoxy-2-methyl-1,2,3,4...) Show SMILES COc1ccc2C(CN(C)Cc2c1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H17Cl2NO/c1-20-9-12-7-13(21-2)4-5-14(12)15(10-20)11-3-6-16(18)17(19)8-11/h3-8,15H,9-10H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 2 receptor				J Med Chem 30: 1433-54 (1987) BindingDB Entry DOI: 10.7270/Q2D50NJ3
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50021895 (4-(3,4-Dichloro-phenyl)-7-methoxy-2-methyl-1,2,3,4...) Show SMILES COc1ccc2C(CN(C)Cc2c1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H17Cl2NO/c1-20-9-12-7-13(21-2)4-5-14(12)15(10-20)11-3-6-16(18)17(19)8-11/h3-8,15H,9-10H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	51	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 166: 493-504 (1989) Article DOI: 10.1016/0014-2999(89)90363-4 BindingDB Entry DOI: 10.7270/Q28C9TR3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50021895 (4-(3,4-Dichloro-phenyl)-7-methoxy-2-methyl-1,2,3,4...) Show SMILES COc1ccc2C(CN(C)Cc2c1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H17Cl2NO/c1-20-9-12-7-13(21-2)4-5-14(12)15(10-20)11-3-6-16(18)17(19)8-11/h3-8,15H,9-10H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP Ki Database									Mol Pharmacol 45: 125-35 (1994) BindingDB Entry DOI: 10.7270/Q2NG4P5C
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50021895 (4-(3,4-Dichloro-phenyl)-7-methoxy-2-methyl-1,2,3,4...) Show SMILES COc1ccc2C(CN(C)Cc2c1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H17Cl2NO/c1-20-9-12-7-13(21-2)4-5-14(12)15(10-20)11-3-6-16(18)17(19)8-11/h3-8,15H,9-10H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck AIS Curated by PDSP Ki Database									J Neurochem 44: 1615-22 (1985) Article DOI: 10.1111/j.1471-4159.1985.tb08803.x BindingDB Entry DOI: 10.7270/Q27H1H2F
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50021895 (4-(3,4-Dichloro-phenyl)-7-methoxy-2-methyl-1,2,3,4...) Show SMILES COc1ccc2C(CN(C)Cc2c1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H17Cl2NO/c1-20-9-12-7-13(21-2)4-5-14(12)15(10-20)11-3-6-16(18)17(19)8-11/h3-8,15H,9-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck AIS Curated by PDSP Ki Database									J Neurochem 44: 1615-22 (1985) Article DOI: 10.1111/j.1471-4159.1985.tb08803.x BindingDB Entry DOI: 10.7270/Q27H1H2F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50021895 (4-(3,4-Dichloro-phenyl)-7-methoxy-2-methyl-1,2,3,4...) Show SMILES COc1ccc2C(CN(C)Cc2c1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H17Cl2NO/c1-20-9-12-7-13(21-2)4-5-14(12)15(10-20)11-3-6-16(18)17(19)8-11/h3-8,15H,9-10H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	606	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP Ki Database									Mol Pharmacol 45: 125-35 (1994) BindingDB Entry DOI: 10.7270/Q2NG4P5C
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50021895 (4-(3,4-Dichloro-phenyl)-7-methoxy-2-methyl-1,2,3,4...) Show SMILES COc1ccc2C(CN(C)Cc2c1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H17Cl2NO/c1-20-9-12-7-13(21-2)4-5-14(12)15(10-20)11-3-6-16(18)17(19)8-11/h3-8,15H,9-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck AIS Curated by PDSP Ki Database									J Neurochem 44: 1615-22 (1985) Article DOI: 10.1111/j.1471-4159.1985.tb08803.x BindingDB Entry DOI: 10.7270/Q27H1H2F
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50021895 (4-(3,4-Dichloro-phenyl)-7-methoxy-2-methyl-1,2,3,4...) Show SMILES COc1ccc2C(CN(C)Cc2c1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H17Cl2NO/c1-20-9-12-7-13(21-2)4-5-14(12)15(10-20)11-3-6-16(18)17(19)8-11/h3-8,15H,9-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck AIS Curated by PDSP Ki Database									J Neurochem 44: 1615-22 (1985) Article DOI: 10.1111/j.1471-4159.1985.tb08803.x BindingDB Entry DOI: 10.7270/Q27H1H2F
					More data for this Ligand-Target Pair