BDBM24182 4-amino-3-(4-chlorophenyl)butanoic acid::Baclofen::Baclophen::CHEMBL701::Gabalon::Lioresal

SMILES: NCC(CC(O)=O)c1ccc(Cl)cc1

InChI Key: InChIKey=KPYSYYIEGFHWSV-UHFFFAOYSA-N

Data: 2 KI  14 IC50  2 EC50

PDB links: 3 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 24182   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
gamma-Aminobutyric Acid Type B Receptor (Rattus norvegicus (rat))	BDBM24182 (4-amino-3-(4-chlorophenyl)butanoic acid | Baclofen...) Show SMILES NCC(CC(O)=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	220	-8.98	n/a	n/a	750	n/a	n/a	7.4	22
AstraZeneca					Assay Description Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assa...				J Med Chem 51: 4315-20 (2008) Article DOI: 10.1021/jm701425k BindingDB Entry DOI: 10.7270/Q2M32T2T
					More data for this Ligand-Target Pair				3D Structure (crystal)
GABA-B receptor 1/2 (Homo sapiens (Human))	BDBM24182 (4-amino-3-(4-chlorophenyl)butanoic acid | Baclofen...) Show SMILES NCC(CC(O)=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of [3H]CGP54626 from GABA-B receptor (unknown origin) by radioligand binding assay				J Med Chem 58: 6336-47 (2015) Article DOI: 10.1021/jm5018913 BindingDB Entry DOI: 10.7270/Q2T155F6
					More data for this Ligand-Target Pair				3D Structure (crystal)
GABA-B receptor 1/2 (Rattus norvegicus (Rat))	BDBM24182 (4-amino-3-(4-chlorophenyl)butanoic acid | Baclofen...) Show SMILES NCC(CC(O)=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy AG Curated by ChEMBL					Assay Description Inhibition of [3H]-CGP-27,492 binding to Gamma-aminobutyric acid type B receptor of rat cortex				J Med Chem 38: 3297-312 (1995) Article DOI: 10.1021/jm00017a015 BindingDB Entry DOI: 10.7270/Q2N58KDP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid type B receptor subunit 1 (Rattus norvegicus (Rat))	BDBM24182 (4-amino-3-(4-chlorophenyl)butanoic acid | Baclofen...) Show SMILES NCC(CC(O)=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Carlo Bo Curated by ChEMBL					Assay Description Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA				J Med Chem 48: 6887-96 (2005) Article DOI: 10.1021/jm058018d BindingDB Entry DOI: 10.7270/Q28C9X1X
					More data for this Ligand-Target Pair				3D Structure (crystal)
GABA-B receptor 1/2 (Rattus norvegicus (Rat))	BDBM24182 (4-amino-3-(4-chlorophenyl)butanoic acid | Baclofen...) Show SMILES NCC(CC(O)=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against Gamma-aminobutyric acid type B receptor in rat brain synaptosomes after 30 minutes				Bioorg Med Chem Lett 6: 1709-1714 (1996) Article DOI: 10.1016/0960-894X(96)00307-1 BindingDB Entry DOI: 10.7270/Q22J6CCH
					More data for this Ligand-Target Pair				3D Structure (crystal)
GABA-B receptor 1/2 (Homo sapiens (Human))	BDBM24182 (4-amino-3-(4-chlorophenyl)butanoic acid | Baclofen...) Show SMILES NCC(CC(O)=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Agonist activity at human GABA-B B1/B2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 3 hr...				J Med Chem 56: 2456-65 (2013) Article DOI: 10.1021/jm301805e BindingDB Entry DOI: 10.7270/Q25T3MTS
					More data for this Ligand-Target Pair				3D Structure (crystal)
GABA-B receptor 1/2 (Rattus norvegicus (Rat))	BDBM24182 (4-amino-3-(4-chlorophenyl)butanoic acid | Baclofen...) Show SMILES NCC(CC(O)=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Pharmacie Chimique, Facult� de Pharmacie, Lille, France. Curated by ChEMBL					Assay Description Inhibition of [3H]baclofen binding to rat gamma-aminobutyric acid type B receptor.				J Med Chem 34: 2557-60 (1991) Article DOI: 10.1021/jm00112a033 BindingDB Entry DOI: 10.7270/Q2GQ6ZC0
					More data for this Ligand-Target Pair				3D Structure (crystal)
GABA-B receptor 1/2 (Rattus norvegicus (Rat))	BDBM24182 (4-amino-3-(4-chlorophenyl)butanoic acid | Baclofen...) Show SMILES NCC(CC(O)=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Pharmacie Chimique, Facult� de Pharmacie, Lille, France. Curated by ChEMBL					Assay Description Inhibition of [3H]baclofen binding to rat gamma-aminobutyric acid type B receptor.				J Med Chem 34: 2557-60 (1991) Article DOI: 10.1021/jm00112a033 BindingDB Entry DOI: 10.7270/Q2GQ6ZC0
					More data for this Ligand-Target Pair				3D Structure (crystal)
GABA-B receptor 1/2 (Rattus norvegicus (Rat))	BDBM24182 (4-amino-3-(4-chlorophenyl)butanoic acid | Baclofen...) Show SMILES NCC(CC(O)=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro displacement of [3H]-GABA from Gamma-aminobutyric acid type B receptor sites in rat brain membranes				Bioorg Med Chem Lett 3: 515-518 (1993) Article DOI: 10.1016/S0960-894X(01)81218-X BindingDB Entry DOI: 10.7270/Q2BR8S4N
					More data for this Ligand-Target Pair				3D Structure (crystal)
GABA-B receptor 1/2 (Rattus norvegicus (Rat))	BDBM24182 (4-amino-3-(4-chlorophenyl)butanoic acid | Baclofen...) Show SMILES NCC(CC(O)=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]baclofen from Gamma-aminobutyric acid type B receptor of rat brain membranes				J Med Chem 30: 743-6 (1987) Article DOI: 10.1021/jm00387a031 BindingDB Entry DOI: 10.7270/Q22V2GPC
					More data for this Ligand-Target Pair				3D Structure (crystal)
GABA-B receptor 1/2 (Rattus norvegicus (Rat))	BDBM24182 (4-amino-3-(4-chlorophenyl)butanoic acid | Baclofen...) Show SMILES NCC(CC(O)=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-baclofen from Gamma-aminobutyric acid type B receptor in rat brain membranes				J Med Chem 28: 1440-6 (1985) Article DOI: 10.1021/jm00148a012 BindingDB Entry DOI: 10.7270/Q2TD9WC9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Canalicular multispecific organic anion transporter 1 (Homo sapiens (Human))	BDBM24182 (4-amino-3-(4-chlorophenyl)butanoic acid | Baclofen...) Show SMILES NCC(CC(O)=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)	Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE PC cid PC sid PDB 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
					More data for this Ligand-Target Pair
Canalicular multispecific organic anion transporter 2 (Homo sapiens (Human))	BDBM24182 (4-amino-3-(4-chlorophenyl)butanoic acid | Baclofen...) Show SMILES NCC(CC(O)=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE PC cid PC sid PDB 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
					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM24182 (4-amino-3-(4-chlorophenyl)butanoic acid | Baclofen...) Show SMILES NCC(CC(O)=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE PC cid PC sid PDB 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
					More data for this Ligand-Target Pair
GABA-B receptor 1/2 (Homo sapiens (Human))	BDBM24182 (4-amino-3-(4-chlorophenyl)butanoic acid | Baclofen...) Show SMILES NCC(CC(O)=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy AG Curated by ChEMBL					Assay Description Inhibition of [3H]-baclofen binding to Gamma-aminobutyric acid type B receptor of cat cerebellum				J Med Chem 38: 3297-312 (1995) Article DOI: 10.1021/jm00017a015 BindingDB Entry DOI: 10.7270/Q2N58KDP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Multidrug resistance-associated protein 4 (Homo sapiens (Human))	BDBM24182 (4-amino-3-(4-chlorophenyl)butanoic acid | Baclofen...) Show SMILES NCC(CC(O)=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE PC cid PC sid PDB 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
					More data for this Ligand-Target Pair
GABA-B receptor 1/2 (Rattus norvegicus (Rat))	BDBM24182 (4-amino-3-(4-chlorophenyl)butanoic acid | Baclofen...) Show SMILES NCC(CC(O)=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Neurochimie du CNRS Curated by ChEMBL					Assay Description Displacement of [3H]baclofen from gamma-aminobutyric-acid B receptor				J Med Chem 34: 1307-13 (1991) Article DOI: 10.1021/jm00108a011 BindingDB Entry DOI: 10.7270/Q27D2VRW
					More data for this Ligand-Target Pair				3D Structure (crystal)