BindingDB PrimarySearch

null

SMILES: CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC

InChI Key: InChIKey=GUJRSXAPGDDABA-NSHDSACASA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 74 hits for monomerid = 50026045
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
Histamine H1 receptor (RAT)	BDBM50026045 ((R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by PDSP K_i Database									Neuropsychopharmacology 14: 87-96 (1996) Article DOI: 10.1016/0893-133X(94)00129-N BindingDB Entry DOI: 10.7270/Q2445K1M
Lilly Research Laboratories Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50026045 ((R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by PDSP K_i Database									Neuropsychopharmacology 14: 87-96 (1996) Article DOI: 10.1016/0893-133X(94)00129-N BindingDB Entry DOI: 10.7270/Q2445K1M
Lilly Research Laboratories Curated by PDSP K_i Database					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50026045 ((R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by PDSP K_i Database									Neuropsychopharmacology 18: 63-101 (1998) Article DOI: 10.1016/S0893-133X(97)00112-7 BindingDB Entry DOI: 10.7270/Q2SF2TQB
H. Lundbeck A/S Curated by PDSP K_i Database					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50026045 ((R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by PDSP K_i Database									Neuropsychopharmacology 18: 63-101 (1998) Article DOI: 10.1016/S0893-133X(97)00112-7 BindingDB Entry DOI: 10.7270/Q2SF2TQB
H. Lundbeck A/S Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50026045 ((R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by PDSP K_i Database									Neuropsychopharmacology 18: 63-101 (1998) Article DOI: 10.1016/S0893-133X(97)00112-7 BindingDB Entry DOI: 10.7270/Q2SF2TQB
H. Lundbeck A/S Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Rattus norvegicus)	BDBM50026045 ((R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astra Läkemedel AB Curated by PDSP K_i Database									Acta Pharmacol Toxicol (Copenh) 58: 61-70 (1986) Article DOI: 10.1111/j.1600-0773.1986.tb00071.x BindingDB Entry DOI: 10.7270/Q2PG1Q7V
Astra Läkemedel AB Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (RAT)	BDBM50026045 ((R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astra Läkemedel AB Curated by PDSP K_i Database									Acta Pharmacol Toxicol (Copenh) 58: 61-70 (1986) Article DOI: 10.1111/j.1600-0773.1986.tb00071.x BindingDB Entry DOI: 10.7270/Q2PG1Q7V
Astra Läkemedel AB Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50026045 ((R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astra Läkemedel AB Curated by PDSP K_i Database									Acta Pharmacol Toxicol (Copenh) 58: 61-70 (1986) Article DOI: 10.1111/j.1600-0773.1986.tb00071.x BindingDB Entry DOI: 10.7270/Q2PG1Q7V
Astra Läkemedel AB Curated by PDSP K_i Database					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50026045 ((R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astra Läkemedel AB Curated by PDSP K_i Database									Acta Pharmacol Toxicol (Copenh) 58: 61-70 (1986) Article DOI: 10.1111/j.1600-0773.1986.tb00071.x BindingDB Entry DOI: 10.7270/Q2PG1Q7V
Astra Läkemedel AB Curated by PDSP K_i Database					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50026045 ((R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astra Läkemedel AB Curated by PDSP K_i Database									Acta Pharmacol Toxicol (Copenh) 58: 61-70 (1986) Article DOI: 10.1111/j.1600-0773.1986.tb00071.x BindingDB Entry DOI: 10.7270/Q2PG1Q7V
Astra Läkemedel AB Curated by PDSP K_i Database					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50026045 ((R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by PDSP K_i Database									Neuropsychopharmacology 18: 63-101 (1998) Article DOI: 10.1016/S0893-133X(97)00112-7 BindingDB Entry DOI: 10.7270/Q2SF2TQB
H. Lundbeck A/S Curated by PDSP K_i Database					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50026045 ((R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against the Dopamine receptor D2 in rat striatnrn by using [3H]spiperone radioligand				Bioorg Med Chem Lett 2: 165-170 (1992) Article DOI: 10.1016/S0960-894X(01)80443-1 BindingDB Entry DOI: 10.7270/Q28P610P
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50026045 ((R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity at Dopamine receptor D2 in rat by displacing [3H]- spiperone from rat striatal membrane				J Med Chem 28: 1263-9 (1985) BindingDB Entry DOI: 10.7270/Q2QZ2BHD
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50026045 ((R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Co. Curated by ChEMBL					Assay Description Tested in vitro for inhibition of [3H]spiperone binding to dopamine receptor D2				J Med Chem 36: 3417-23 (1993) BindingDB Entry DOI: 10.7270/Q2S75GZD
Burroughs Wellcome Co. Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50026045 ((R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Binding affinity to dopamine receptor D2 cloned from human, using [3H]- YM09151 as competitive ligand				J Med Chem 43: 3923-32 (2000) BindingDB Entry DOI: 10.7270/Q2HM595B
Neurogen Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50026045 ((R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank PubMed	n/a	n/a	3.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Binding affinity to dopamine receptor D4 cloned from human, using [3H]- YM09151 as competitive ligand				J Med Chem 43: 3923-32 (2000) BindingDB Entry DOI: 10.7270/Q2HM595B
Neurogen Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50026045 ((R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Mazandaran Curated by ChEMBL					Assay Description Antagonist activity at dopamine D2 receptor				Eur J Med Chem 45: 4856-62 (2010) Article DOI: 10.1016/j.ejmech.2010.07.056 BindingDB Entry DOI: 10.7270/Q2833T8S
University of Mazandaran Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 4 (Homo sapiens (Human))	BDBM50026045 ((R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...				Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50026045 ((R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.35E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...				Toxicol Sci 118: 485-500 (2010) Article DOI: 10.1093/toxsci/kfq269 BindingDB Entry DOI: 10.7270/Q26Q20JN
Amgen Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50026045 ((R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...				Drug Metab Dispos 40: 2332-41 (2012) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 3 (Homo sapiens (Human))	BDBM50026045 ((R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...				Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 2 (Homo sapiens (Human))	BDBM50026045 ((R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...				Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50026045 ((R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...				Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50026045 ((R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antidopamine activity in vitro by ability to displace [3H]spiperone from rat brain striatal preparations.				J Med Chem 29: 61-9 (1986) BindingDB Entry DOI: 10.7270/Q2SF2ZCH
TBA Curated by ChEMBL					More data for this Ligand-Target Pair

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